Theoretical and simulation analysis of piezoelectric liquid resistance captor filled with pipeline

NASA Astrophysics Data System (ADS)

Zheng, Li; Zhigang, Yang; Junwu, Kan; Lisheng; Bo, Yan; Dan, Lu

2018-03-01

This paper designs a kind of Piezoelectric liquid resistance capture energy device, by using the superposition theory of the sheet deformation, the calculation model of the displacement curve of the circular piezoelectric vibrator and the power generation capacity under the concentrated load is established. The results show that the radius ratio, thickness ratio and Young’s modulus of the circular piezoelectric vibrator have greater influence on the power generation capacity. When the material of piezoelectric oscillator is determined, the best radius ratio and thickness ratio make the power generation capacity the largest. Excessive or small radius ratio and thickness ratio will reduce the generating capacity and even generate zero power. In addition, the electromechanical equivalent model is established. Equivalent analysis is made by changing the circuit impedance. The results are consistent with the theoretical simulation results, indicating that the established circuit model can truly reflect the characteristics of the theoretical model.

Dynamics analysis of the fast-slow hydro-turbine governing system with different time-scale coupling

NASA Astrophysics Data System (ADS)

Zhang, Hao; Chen, Diyi; Wu, Changzhi; Wang, Xiangyu

2018-01-01

Multi-time scales modeling of hydro-turbine governing system is crucial in precise modeling of hydropower plant and provides support for the stability analysis of the system. Considering the inertia and response time of the hydraulic servo system, the hydro-turbine governing system is transformed into the fast-slow hydro-turbine governing system. The effects of the time-scale on the dynamical behavior of the system are analyzed and the fast-slow dynamical behaviors of the system are investigated with different time-scale. Furthermore, the theoretical analysis of the stable regions is presented. The influences of the time-scale on the stable region are analyzed by simulation. The simulation results prove the correctness of the theoretical analysis. More importantly, the methods and results of this paper provide a perspective to multi-time scales modeling of hydro-turbine governing system and contribute to the optimization analysis and control of the system.

Analysis of multimode fiber bundles for endoscopic spectral-domain optical coherence tomography

PubMed Central

Risi, Matthew D.; Makhlouf, Houssine; Rouse, Andrew R.; Gmitro, Arthur F.

2016-01-01

A theoretical analysis of the use of a fiber bundle in spectral-domain optical coherence tomography (OCT) systems is presented. The fiber bundle enables a flexible endoscopic design and provides fast, parallelized acquisition of the OCT data. However, the multimode characteristic of the fibers in the fiber bundle affects the depth sensitivity of the imaging system. A description of light interference in a multimode fiber is presented along with numerical simulations and experimental studies to illustrate the theoretical analysis. PMID:25967012

Elastic Cherenkov effects in transversely isotropic soft materials-I: Theoretical analysis, simulations and inverse method

NASA Astrophysics Data System (ADS)

Li, Guo-Yang; Zheng, Yang; Liu, Yanlin; Destrade, Michel; Cao, Yanping

2016-11-01

A body force concentrated at a point and moving at a high speed can induce shear-wave Mach cones in dusty-plasma crystals or soft materials, as observed experimentally and named the elastic Cherenkov effect (ECE). The ECE in soft materials forms the basis of the supersonic shear imaging (SSI) technique, an ultrasound-based dynamic elastography method applied in clinics in recent years. Previous studies on the ECE in soft materials have focused on isotropic material models. In this paper, we investigate the existence and key features of the ECE in anisotropic soft media, by using both theoretical analysis and finite element (FE) simulations, and we apply the results to the non-invasive and non-destructive characterization of biological soft tissues. We also theoretically study the characteristics of the shear waves induced in a deformed hyperelastic anisotropic soft material by a source moving with high speed, considering that contact between the ultrasound probe and the soft tissue may lead to finite deformation. On the basis of our theoretical analysis and numerical simulations, we propose an inverse approach to infer both the anisotropic and hyperelastic parameters of incompressible transversely isotropic (TI) soft materials. Finally, we investigate the properties of the solutions to the inverse problem by deriving the condition numbers in analytical form and performing numerical experiments. In Part II of the paper, both ex vivo and in vivo experiments are conducted to demonstrate the applicability of the inverse method in practical use.

Analysis of laser energy characteristics of laser guided weapons based on the hardware-in-the-loop simulation system

NASA Astrophysics Data System (ADS)

Zhu, Yawen; Cui, Xiaohong; Wang, Qianqian; Tong, Qiujie; Cui, Xutai; Li, Chenyu; Zhang, Le; Peng, Zhong

2016-11-01

The hardware-in-the-loop simulation system, which provides a precise, controllable and repeatable test conditions, is an important part of the development of the semi-active laser (SAL) guided weapons. In this paper, laser energy chain characteristics were studied, which provides a theoretical foundation for the SAL guidance technology and the hardware-in-the-loop simulation system. Firstly, a simplified equation was proposed to adjust the radar equation according to the principles of the hardware-in-the-loop simulation system. Secondly, a theoretical model and calculation method were given about the energy chain characteristics based on the hardware-in-the-loop simulation system. We then studied the reflection characteristics of target and the distance between the missile and target with major factors such as the weather factors. Finally, the accuracy of modeling was verified by experiment as the values measured experimentally generally follow the theoretical results from the model. And experimental results revealed that ratio of attenuation of the laser energy exhibited a non-linear change vs. pulse number, which were in accord with the actual condition.

Conformational analysis of oligosaccharides and polysaccharides using molecular dynamics simulations.

PubMed

Frank, Martin

2015-01-01

Complex carbohydrates usually have a large number of rotatable bonds and consequently a large number of theoretically possible conformations can be generated (combinatorial explosion). The application of systematic search methods for conformational analysis of carbohydrates is therefore limited to disaccharides and trisaccharides in a routine analysis. An alternative approach is to use Monte-Carlo methods or (high-temperature) molecular dynamics (MD) simulations to explore the conformational space of complex carbohydrates. This chapter describes how to use MD simulation data to perform a conformational analysis (conformational maps, hydrogen bonds) of oligosaccharides and how to build realistic 3D structures of large polysaccharides using Conformational Analysis Tools (CAT).

Theoretical analysis and simulations of strong terahertz radiation from the interaction of ultrashort laser pulses with gases

NASA Astrophysics Data System (ADS)

Chen, Min; Pukhov, Alexander; Peng, Xiao-Yu; Willi, Oswald

2008-10-01

Terahertz (THz) radiation from the interaction of ultrashort laser pulses with gases is studied both by theoretical analysis and particle-in-cell (PIC) simulations. A one-dimensional THz generation model based on the transient ionization electric current mechanism is given, which explains the results of one-dimensional PIC simulations. At the same time the relation between the final THz field and the initial transient ionization current is shown. One- and two-dimensional simulations show that for the THz generation the contribution of the electric current due to ionization is much larger than the one driven by the usual ponderomotive force. Ionization current generated by different laser pulses and gases is also studied numerically. Based on the numerical results we explain the scaling laws for THz emission observed in the recent experiments performed by Xie [Phys. Rev. Lett. 96, 075005 (2006)]. We also study the effective parameter region for the carrier envelop phase measurement by the use of THz generation.

Theoretical analysis and simulations of strong terahertz radiation from the interaction of ultrashort laser pulses with gases.

PubMed

Chen, Min; Pukhov, Alexander; Peng, Xiao-Yu; Willi, Oswald

2008-10-01

Terahertz (THz) radiation from the interaction of ultrashort laser pulses with gases is studied both by theoretical analysis and particle-in-cell (PIC) simulations. A one-dimensional THz generation model based on the transient ionization electric current mechanism is given, which explains the results of one-dimensional PIC simulations. At the same time the relation between the final THz field and the initial transient ionization current is shown. One- and two-dimensional simulations show that for the THz generation the contribution of the electric current due to ionization is much larger than the one driven by the usual ponderomotive force. Ionization current generated by different laser pulses and gases is also studied numerically. Based on the numerical results we explain the scaling laws for THz emission observed in the recent experiments performed by Xie et al. [Phys. Rev. Lett. 96, 075005 (2006)]. We also study the effective parameter region for the carrier envelop phase measurement by the use of THz generation.

A theoretical comparison of evolutionary algorithms and simulated annealing

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

Hart, W.E.

1995-08-28

This paper theoretically compares the performance of simulated annealing and evolutionary algorithms. Our main result is that under mild conditions a wide variety of evolutionary algorithms can be shown to have greater performance than simulated annealing after a sufficiently large number of function evaluations. This class of EAs includes variants of evolutionary strategie and evolutionary programming, the canonical genetic algorithm, as well as a variety of genetic algorithms that have been applied to combinatorial optimization problems. The proof of this result is based on a performance analysis of a very general class of stochastic optimization algorithms, which has implications formore » the performance of a variety of other optimization algorithm.« less

Compact SOI optimized slot microring coupled phase-shifted Bragg grating resonator for sensing

NASA Astrophysics Data System (ADS)

Zhao, Chao Ying; Zhang, Lei; Zhang, Cheng Mei

2018-05-01

We propose a novel sensor structure composed of a slot microring and a phase-shifted sidewall Bragg gratings in a slot waveguide. We first present a theoretical analysis of transmission by using the transfer matrix. Then, the mode-field distributions of transmission spectrum obtained from 3D simulations based on FDTD method demonstrates that our sensor exhibit theoretical sensitivity of 297 . 13 nm / RIU, a minimum detection limit of 1 . 1 × 10-4 RIU, the maximum extinction ratio of 20 dB, the quality factor of 2 × 103 and a compact dimension-theoretical structure of 15 μm × 8 . 5 μm. Finally, the sensor's performance is simulated for NaCl solution.

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Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

NASA Astrophysics Data System (ADS)

Zhao, Jifei; Lu, Xiangyang; Zhou, Kui; Yang, Ziqin; Yang, Deyu; Luo, Xing; Tan, Weiwei; Yang, Yujia

2016-06-01

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. The self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.

Analysis of Semiotic Principles in a Constructivist Learning Environment.

ERIC Educational Resources Information Center

Williams, Paul

To advance nuclear plant simulator training, the industry must focus on a more detailed and theoretical approach to conduct of this training. The use of semiotics is one method of refining the existing training and examining ways to diversify and blend it with new theoretical methods. Semiotics is the study of signs and how humans interpret them.…

Preconditioner Circuit Analysis

DTIC Science & Technology

2011-09-01

S) Matthew J. Nye 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Naval Postgraduate School Monterey, CA 939435–000 8. PERFORMING... ORGANIZATION REPORT NUMBER 9. SPONSORING /MONITORING AGENCY NAME(S) AND ADDRESS(ES) N/A 10. SPONSORING/MONITORING AGENCY REPORT NUMBER 11...of the simulations and the theoretical computations. D. THESIS ORGANIZATION This thesis is organized into four chapters. The theoretical

Structural elucidation of direct analysis in real time ionized nerve agent simulants with infrared multiple photon dissociation spectroscopy.

PubMed

Rummel, Julia L; Steill, Jeffrey D; Oomens, Jos; Contreras, Cesar S; Pearson, Wright L; Szczepanski, Jan; Powell, David H; Eyler, John R

2011-06-01

Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.

Real-time flutter analysis

NASA Technical Reports Server (NTRS)

Walker, R.; Gupta, N.

1984-01-01

The important algorithm issues necessary to achieve a real time flutter monitoring system; namely, the guidelines for choosing appropriate model forms, reduction of the parameter convergence transient, handling multiple modes, the effect of over parameterization, and estimate accuracy predictions, both online and for experiment design are addressed. An approach for efficiently computing continuous-time flutter parameter Cramer-Rao estimate error bounds were developed. This enables a convincing comparison of theoretical and simulation results, as well as offline studies in preparation for a flight test. Theoretical predictions, simulation and flight test results from the NASA Drones for Aerodynamic and Structural Test (DAST) Program are compared.

Theoretical, Experimental, and Computational Evaluation of Several Vane-Type Slow-Wave Structures

NASA Technical Reports Server (NTRS)

Wallett, Thomas M.; Qureshi, A. Haq

1994-01-01

Several types of periodic vane slow-wave structures were fabricated. The dispersion characteristics were found by theoretical analysis, experimental testing, and computer simulation using the MAFIA code. Computer-generated characteristics agreed to approximately within 2 percent of the experimental characteristics for all structures. The theoretical characteristics, however, deviated increasingly as the width to height ratio became smaller. Interaction impedances were also computed based on the experimental and computer-generated resonance frequency shifts due to the introduction of a perturbing dielectric rod.

Neutrons Flux Distributions of the Pu-Be Source and its Simulation by the MCNP-4B Code

NASA Astrophysics Data System (ADS)

Faghihi, F.; Mehdizadeh, S.; Hadad, K.

Neutron Fluence rate of a low intense Pu-Be source is measured by Neutron Activation Analysis (NAA) of 197Au foils. Also, the neutron fluence rate distribution versus energy is calculated using the MCNP-4B code based on ENDF/B-V library. Theoretical simulation as well as our experimental performance are a new experience for Iranians to make reliability with the code for further researches. In our theoretical investigation, an isotropic Pu-Be source with cylindrical volume distribution is simulated and relative neutron fluence rate versus energy is calculated using MCNP-4B code. Variation of the fast and also thermal neutrons fluence rate, which are measured by NAA method and MCNP code, are compared.

A theoretical and simulation study of the contact discontinuities based on a Vlasov simulation code

NASA Astrophysics Data System (ADS)

Tsai, T. C.; Lyu, L. H.; Chao, J. K.; Chen, M. Q.; Tsai, W. H.

2009-12-01

Contact discontinuity (CD) is the simplest solution that can be obtained from the magnetohydrodynamics (MHD) Rankine-Hugoniot jump conditions. Due to the limitations of the previous kinetic simulation models, the stability of the CD has become a controversial issue in the past 10 years. The stability of the CD is reexamined analytically and numerically. Our theoretical analysis shows that the electron temperature profile and the ion temperature profile must be out of phase across the CD if the CD structure is to be stable in the electron time scale and with zero electron heat flux on either side of the CD. Both a newly developed fourth-order implicit electrostatic Vlasov simulation code and an electromagnetic finite-size particle code are used to examine the stability and the electrostatic nature of the CD structure. Our theoretical prediction is verified by both simulations. Our results of Vlasov simulation also indicate that a simulation with initial electron temperature profile and ion temperature profile varying in phase across the CD will undergo very transient changes in the electron time scale but will relax into a quasi-steady CD structure within a few ion plasma oscillation periods if a real ion-electron mass ratio is used in the simulation and if the boundary conditions allow nonzero heat flux to be presented at the boundaries of the simulation box. The simulation results of this study indicate that the Vlasov simulation is a powerful tool to study nonlinear phenomena with nonperiodic boundary conditions and with nonzero heat flux at the boundaries of the simulation box.

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Noise studies of communication systems using the SYSTID computer aided analysis program

NASA Technical Reports Server (NTRS)

Tranter, W. H.; Dawson, C. T.

1973-01-01

SYSTID computer aided design is a simple program for simulating data systems and communication links. A trial of the efficiency of the method was carried out by simulating a linear analog communication system to determine its noise performance and by comparing the SYSTID result with the result arrived at by theoretical calculation. It is shown that the SYSTID program is readily applicable to the analysis of these types of systems.

Simulating Astrophysical Jets with Inertial Confinement Fusion Machines

NASA Astrophysics Data System (ADS)

Blue, Brent

2005-10-01

Large-scale directional outflows of supersonic plasma, also known as `jets', are ubiquitous phenomena in astrophysics. The traditional approach to understanding such phenomena is through theoretical analysis and numerical simulations. However, theoretical analysis might not capture all the relevant physics and numerical simulations have limited resolution and fail to scale correctly in Reynolds number and perhaps other key dimensionless parameters. Recent advances in high energy density physics using large inertial confinement fusion devices now allow controlled laboratory experiments on macroscopic volumes of plasma of direct relevance to astrophysics. This talk will present an overview of these facilities as well as results from current laboratory astrophysics experiments designed to study hydrodynamic jets and Rayleigh-Taylor mixing. This work is performed under the auspices of the U. S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48, Los Alamos National Laboratory under Contract No. W-7405-ENG-36, and the Laboratory for Laser Energetics under Contract No. DE-FC03-92SF19460.

Theoretical Analysis of Penalized Maximum-Likelihood Patlak Parametric Image Reconstruction in Dynamic PET for Lesion Detection.

PubMed

Yang, Li; Wang, Guobao; Qi, Jinyi

2016-04-01

Detecting cancerous lesions is a major clinical application of emission tomography. In a previous work, we studied penalized maximum-likelihood (PML) image reconstruction for lesion detection in static PET. Here we extend our theoretical analysis of static PET reconstruction to dynamic PET. We study both the conventional indirect reconstruction and direct reconstruction for Patlak parametric image estimation. In indirect reconstruction, Patlak parametric images are generated by first reconstructing a sequence of dynamic PET images, and then performing Patlak analysis on the time activity curves (TACs) pixel-by-pixel. In direct reconstruction, Patlak parametric images are estimated directly from raw sinogram data by incorporating the Patlak model into the image reconstruction procedure. PML reconstruction is used in both the indirect and direct reconstruction methods. We use a channelized Hotelling observer (CHO) to assess lesion detectability in Patlak parametric images. Simplified expressions for evaluating the lesion detectability have been derived and applied to the selection of the regularization parameter value to maximize detection performance. The proposed method is validated using computer-based Monte Carlo simulations. Good agreements between the theoretical predictions and the Monte Carlo results are observed. Both theoretical predictions and Monte Carlo simulation results show the benefit of the indirect and direct methods under optimized regularization parameters in dynamic PET reconstruction for lesion detection, when compared with the conventional static PET reconstruction.

A theoretical analysis and finite element simulation of fixator-bone system stiffness on healing progression.

PubMed

Li, Jianfeng; Zhao, Xia; Hu, Xiaojie; Tao, Chunjing; Ji, Run

2018-03-01

The unilateral external fixator has become a quick and easy application for fracture stabilization of the extremities; the main value for evaluation of mechanical stability of the external fixator is stiffness. The stiffness property of the external fixator affects the local biomechanical environment of fractured bone. In this study, a theoretical model with changing Young's modulus of the callus is established by using the Castigliano's theory, investigating compression stiffness, torsional stiffness and bending stiffness of the fixator-bone system during the healing process. The effects of pin deviation angle on three stiffness methods are also investigated. In addition, finite element simulation is discussed regarding the stress distribution between the fixator and bone. The results reveal the three stiffness evaluation methods are similar for the fixator-bone system. Finite element simulation shows that with increased healing time, the transmission of the load between the fixator and bone are different. In addition, the finite element analyses verify the conclusions obtained from the theoretical model. This work helps orthopedic doctors to monitor the progression of fracture healing and determine the appropriate time for removal of a fixation device and provide important theoretical methodology.

Theoretical analysis of AlGaN/GaN resonant tunnelling diodes with step heterojunctions spacer and sub-quantum well

NASA Astrophysics Data System (ADS)

Liu, Y.; Gao, B.; Gong, M.

2017-06-01

In this paper, we proposed to use step heterojunctions emitter spacer (SHES) and InGaN sub-quantum well in AlGaN/GaN/AlGaN double barrier resonant tunnelling diodes (RTDs). Theoretical analysis of RTD with SHES and InGaN sub-quantum well was presented, which indicated that the negative differential resistance (NDR) characteristic was improved. And the simulation results, peak current density JP=82.67 mA/μm2, the peak-to-valley current ratio PVCR=3.38, and intrinsic negative differential resistance RN=-0.147Ω at room temperature, verified the improvement of NDR characteristic brought about by SHES and InGaN sub-quantum well. Both the theoretical analysis and simulation results showed that the device performance, especially the average oscillator output power presented great improvement and reached 2.77mW/μm2 magnitude. And the resistive cut-off frequency would benefit a lot from the relatively small RN as well. Our works provide an important alternative to the current approaches in designing new structure GaN based RTD for practical high frequency and high power applications.

Theoretical and Experimental Investigations of Coincidences in Poisson Distributed Pulse Trains and Spectral Distortion Caused by Pulse Pileup.

NASA Astrophysics Data System (ADS)

Bristow, Quentin

1990-01-01

Part one of this two-part study is concerned with the multiple coincidences in pulse trains from X-ray and gamma radiation detectors which are the cause of pulse pileup. A sequence of pulses with inter-arrival times less than tau, the resolving time of the pulse-height analysis system used to acquire spectra, is called a multiple pulse string. Such strings can be classified on the basis of the number of pulses they contain, or the number of resolving times they cover. The occurrence rates of such strings are derived from theoretical considerations. Logic circuits were devised to make experimental measurements of multiple pulse string occurrence rates in the output from a NaI(Tl) scintillation detector over a wide range of count rates. Markov process theory was used to predict state transition rates in the logic circuits, enabling the experimental data to be checked rigorously for conformity with those predicted for a Poisson distribution. No fundamental discrepancies were observed. Part two of the study is concerned with a theoretical analysis of pulse pileup and the development of a discrete correction algorithm, based on the use of a function to simulate the coincidence spectrum produced by partial sums of pulses. Monte Carlo simulations, incorporating criteria for pulse pileup inherent in the operation of modern ADC's, were used to generate pileup spectra due to coincidences between two pulses, (1st order pileup) and three pulses (2nd order pileup), for different semi-Gaussian pulse shapes. Coincidences between pulses in a single channel produced a basic probability density function spectrum which can be regarded as an impulse response for a particular pulse shape. The use of a flat spectrum (identical count rates in all channels) in the simulations, and in a parallel theoretical analysis, showed the 1st order pileup distorted the spectrum to a linear ramp with a pileup tail. The correction algorithm was successfully applied to correct entire spectra for 1st and 2nd order pileup; both those generated by Monte Carlo simulations and in addition some real spectra acquired with a laboratory multichannel analysis system.

Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

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

Zhao, Jifei; Lu, Xiangyang, E-mail: xylu@pku.edu.cn; Yang, Ziqin

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. Themore » self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.« less

Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis

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

Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

2015-07-28

The wettability of graphitic carbon and silicon surfaces was numerically and theoretically investigated. A multi-response method has been developed for the analysis of conventional molecular dynamics (MD) simulations of droplets wettability. The contact angle and indicators of the quality of the computations are tracked as a function of the data sets analyzed over time. This method of analysis allows accurate calculations of the contact angle obtained from the MD simulations. Analytical models were also developed for the calculation of the work of adhesion using the mean-field theory, accounting for the interfacial entropy changes. A calibration method is proposed to providemore » better predictions of the respective contact angles under different solid-liquid interaction potentials. Estimations of the binding energy between a water monomer and graphite match those previously reported. In addition, a breakdown in the relationship between the binding energy and the contact angle was observed. The macroscopic contact angles obtained from the MD simulations were found to match those predicted by the mean-field model for graphite under different wettability conditions, as well as the contact angles of Si(100) and Si(111) surfaces. Finally, an assessment of the effect of the Lennard-Jones cutoff radius was conducted to provide guidelines for future comparisons between numerical simulations and analytical models of wettability.« less

Model and particle-in-cell simulation of ion energy distribution in collisionless sheath

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

Zhou, Zhuwen, E-mail: zzwwdxy@gznc.edu.cn; Key Laboratory of Photoelectron Materials Design and Simulation in Guizhou Province, Guiyang 550018; Scientific Research Innovation Team in Plasma and Functional Thin Film Materials in Guizhou Province, Guiyang 550018

2015-06-15

In this paper, we propose a self-consistent theoretical model, which is described by the ion energy distributions (IEDs) in collisionless sheaths, and the analytical results for different combined dc/radio frequency (rf) capacitive coupled plasma discharge cases, including sheath voltage errors analysis, are compared with the results of numerical simulations using a one-dimensional plane-parallel particle-in-cell (PIC) simulation. The IEDs in collisionless sheaths are performed on combination of dc/rf voltage sources electrodes discharge using argon as the process gas. The incident ions on the grounded electrode are separated, according to their different radio frequencies, and dc voltages on a separated electrode, themore » IEDs, and widths of energy in sheath and the plasma sheath thickness are discussed. The IEDs, the IED widths, and sheath voltages by the theoretical model are investigated and show good agreement with PIC simulations.« less

Effect of distributive mass of spring on power flow in engineering test

NASA Astrophysics Data System (ADS)

Sheng, Meiping; Wang, Ting; Wang, Minqing; Wang, Xiao; Zhao, Xuan

2018-06-01

Mass of spring is always neglected in theoretical and simulative analysis, while it may be a significance in practical engineering. This paper is concerned with the distributive mass of a steel spring which is used as an isolator to simulate isolation performance of a water pipe in a heating system. Theoretical derivation of distributive mass effect of steel spring on vibration is presented, and multiple eigenfrequencies are obtained, which manifest that distributive mass results in extra modes and complex impedance properties. Furthermore, numerical simulation visually shows several anti-resonances of the steel spring corresponding to impedance and power flow curves. When anti-resonances emerge, the spring collects large energy which may cause damage and unexpected consequences in practical engineering and needs to be avoided. Finally, experimental tests are conducted and results show consistency with that of the simulation of the spring with distributive mass.

Analysis on flood generation processes by means of a continuous simulation model

NASA Astrophysics Data System (ADS)

Fiorentino, M.; Gioia, A.; Iacobellis, V.; Manfreda, S.

2006-03-01

In the present research, we exploited a continuous hydrological simulation to investigate on key variables responsible of flood peak formation. With this purpose, a distributed hydrological model (DREAM) is used in cascade with a rainfall generator (IRP-Iterated Random Pulse) to simulate a large number of extreme events providing insight into the main controls of flood generation mechanisms. Investigated variables are those used in theoretically derived probability distribution of floods based on the concept of partial contributing area (e.g. Iacobellis and Fiorentino, 2000). The continuous simulation model is used to investigate on the hydrological losses occurring during extreme events, the variability of the source area contributing to the flood peak and its lag-time. Results suggest interesting simplification for the theoretical probability distribution of floods according to the different climatic and geomorfologic environments. The study is applied to two basins located in Southern Italy with different climatic characteristics.

Pilot-model analysis and simulation study of effect of control task desired control response

NASA Technical Reports Server (NTRS)

Adams, J. J.; Gera, J.; Jaudon, J. B.

1978-01-01

A pilot model analysis was performed that relates pilot control compensation, pilot aircraft system response, and aircraft response characteristics for longitudinal control. The results show that a higher aircraft short period frequency is required to achieve superior pilot aircraft system response in an altitude control task than is required in an attitude control task. These results were confirmed by a simulation study of target tracking. It was concluded that the pilot model analysis provides a theoretical basis for determining the effect of control task on pilot opinions.

Simulation of anisoplanatic imaging through optical turbulence using numerical wave propagation with new validation analysis

NASA Astrophysics Data System (ADS)

Hardie, Russell C.; Power, Jonathan D.; LeMaster, Daniel A.; Droege, Douglas R.; Gladysz, Szymon; Bose-Pillai, Santasri

2017-07-01

We present a numerical wave propagation method for simulating imaging of an extended scene under anisoplanatic conditions. While isoplanatic simulation is relatively common, few tools are specifically designed for simulating the imaging of extended scenes under anisoplanatic conditions. We provide a complete description of the proposed simulation tool, including the wave propagation method used. Our approach computes an array of point spread functions (PSFs) for a two-dimensional grid on the object plane. The PSFs are then used in a spatially varying weighted sum operation, with an ideal image, to produce a simulated image with realistic optical turbulence degradation. The degradation includes spatially varying warping and blurring. To produce the PSF array, we generate a series of extended phase screens. Simulated point sources are numerically propagated from an array of positions on the object plane, through the phase screens, and ultimately to the focal plane of the simulated camera. Note that the optical path for each PSF will be different, and thus, pass through a different portion of the extended phase screens. These different paths give rise to a spatially varying PSF to produce anisoplanatic effects. We use a method for defining the individual phase screen statistics that we have not seen used in previous anisoplanatic simulations. We also present a validation analysis. In particular, we compare simulated outputs with the theoretical anisoplanatic tilt correlation and a derived differential tilt variance statistic. This is in addition to comparing the long- and short-exposure PSFs and isoplanatic angle. We believe this analysis represents the most thorough validation of an anisoplanatic simulation to date. The current work is also unique that we simulate and validate both constant and varying Cn2(z) profiles. Furthermore, we simulate sequences with both temporally independent and temporally correlated turbulence effects. Temporal correlation is introduced by generating even larger extended phase screens and translating this block of screens in front of the propagation area. Our validation analysis shows an excellent match between the simulation statistics and the theoretical predictions. Thus, we think this tool can be used effectively to study optical anisoplanatic turbulence and to aid in the development of image restoration methods.

Optical CAD Utilization for the Design and Testing of a LED Streetlamp.

PubMed

Jafrancesco, David; Mercatelli, Luca; Fontani, Daniela; Sansoni, Paola

2017-08-24

The design and testing of LED lamps are vital steps toward broader use of LED lighting for outdoor illumination and traffic signalling. The characteristics of LED sources, in combination with the need to limit light pollution and power consumption, require a precise optical design. In particular, in every step of the process, it is important to closely compare theoretical or simulated results with measured data (obtained from a prototype). This work examines the various possibilities for using an optical CAD (Lambda Research TracePro ) to design and check a LED lamp for outdoor use. This analysis includes the simulations and testing on a prototype as an example; data acquired by measurement are inserted into the same simulation software, making it easy to compare theoretical and actual results.

Comparison of predicted and measured low-speed performance of two 51 centimeter-diameter inlets at incidence angle

NASA Technical Reports Server (NTRS)

Albers, J. A.

1973-01-01

Theoretical and experimental internal flow characteristics of two 51-cm-diameter inlets are compared. Theoretical flow characteristics along the inlet surface were obtained from an axisymmetric potential flow and boundary layer analysis. The experimental data were obtained from low-speed tests of a high-bypass-ratio turbofan engine simulator. Comparisons between calculated internal surface pressure distributions and experimental data are presented for a free-system velocity of 45 m/sec and for incidence angles from 0 deg to 50 deg. Analysis of boundary layer separation on the inlet lip at incidence angle is the major emphasis of this report. Theoretical boundary layer shape factors, skin friction coefficients, and velocity profiles in the boundary layer are presented, along with the location of the transition region. Theoretical and experimental separation locations are also discussed.

Game theoretic power allocation and waveform selection for satellite communications

NASA Astrophysics Data System (ADS)

Shu, Zhihui; Wang, Gang; Tian, Xin; Shen, Dan; Pham, Khanh; Blasch, Erik; Chen, Genshe

2015-05-01

Game theory is a useful method to model interactions between agents with conflicting interests. In this paper, we set up a Game Theoretic Model for Satellite Communications (SATCOM) to solve the interaction between the transmission pair (blue side) and the jammer (red side) to reach a Nash Equilibrium (NE). First, the IFT Game Application Model (iGAM) for SATCOM is formulated to improve the utility of the transmission pair while considering the interference from a jammer. Specifically, in our framework, the frame error rate performance of different modulation and coding schemes is used in the game theoretic solution. Next, the game theoretic analysis shows that the transmission pair can choose the optimal waveform and power given the received power from the jammer. We also describe how the jammer chooses the optimal power given the waveform and power allocation from the transmission pair. Finally, simulations are implemented for the iGAM and the simulation results show the effectiveness of the SATCOM power allocation, waveform selection scheme, and jamming mitigation.

Analysis and modeling of leakage current sensor under pulsating direct current

NASA Astrophysics Data System (ADS)

Li, Kui; Dai, Yihua; Wang, Yao; Niu, Feng; Chen, Zhao; Huang, Shaopo

2017-05-01

In this paper, the transformation characteristics of current sensor under pulsating DC leakage current is investigated. The mathematical model of current sensor is proposed to accurately describe the secondary side current and excitation current. The transformation process of current sensor is illustrated in details and the transformation error is analyzed from multi aspects. A simulation model is built and a sensor prototype is designed to conduct comparative evaluation, and both simulation and experimental results are presented to verify the correctness of theoretical analysis.

Theoretical analyses of localized surface plasmon resonance spectrum with nanoparticles imprinted polymers

NASA Astrophysics Data System (ADS)

Li, Hong; Peng, Wei; Wang, Yanjie; Hu, Lingling; Liang, Yuzhang; Zhang, Xinpu; Yao, Wenjuan; Yu, Qi; Zhou, Xinlei

2011-12-01

Optical sensors based on nanoparticles induced Localized Surface Plasmon Resonance are more sensitive to real-time chemical and biological sensing, which have attracted intensive attentions in many fields. In this paper, we establish a simulation model based on nanoparticles imprinted polymer to increase sensitivity of the LSPR sensor by detecting the changes of Surface Plasmon Resonance signals. Theoretical analysis and numerical simulation of parameters effects to absorption peak and light field distribution are highlighted. Two-dimensional simulated color maps show that LSPR lead to centralization of the light energy around the gold nanoparticles, Transverse Magnetic wave and total reflection become the important factors to enhance the light field in our simulated structure. Fast Fourier Transfer analysis shows that the absorption peak of the surface plasmon resonance signal resulted from gold nanoparticles is sharper while its wavelength is bigger by comparing with silver nanoparticles; a double chain structure make the amplitude of the signals smaller, and make absorption wavelength longer; the absorption peak of enhancement resulted from nanopore arrays has smaller wavelength and weaker amplitude in contrast with nanoparticles. These simulation results of the Localized Surface Plasmon Resonance can be used as an enhanced transduction mechanism for enhancement of sensitivity in recognition and sensing of target analytes in accordance with different requirements.

The Impact of Grading on a Curve: Assessing the Results of Kulick and Wright's Simulation Analysis

ERIC Educational Resources Information Center

Bailey, Gary L.; Steed, Ronald C.

2012-01-01

Kulick and Wright concluded, based on theoretical mathematical simulations of hypothetical student exam scores, that assigning exam grades to students based on the relative position of their exam performance scores within a normal curve may be unfair, given the role that randomness plays in any given student's performance on any given exam.…

Mode-coupling theoretical analysis of transport and relaxation properties of liquid dimethylimidazolium chloride

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Koda, S.

2010-03-01

The mode-coupling theory for molecular liquids based on the interaction-site model is applied to a representative molecular ionic liquid, dimethylimidazolium chloride, and dynamic properties such as shear viscosity, self-diffusion coefficients, reorientational relaxation time, electric conductivity, and dielectric relaxation spectrum are analyzed. Molecular dynamics (MD) simulation is also performed on the same system for comparison. The theory captures the characteristics of the dynamics of the ionic liquid qualitatively, although theoretical relaxation times are several times larger than those from the MD simulation. Large relaxations are found in the 100 MHz region in the dispersion of the shear viscosity and the dielectric relaxation, in harmony with various experiments. The relaxations of the self-diffusion coefficients are also found in the same frequency region. The dielectric relaxation spectrum is divided into the contributions of the translational and reorientational modes, and it is demonstrated that the relaxation in the 100 MHz region mainly stems from the translational modes. The zero-frequency electric conductivity is close to the value predicted by the Nernst-Einstein equation in both MD simulation and theoretical calculation. However, the frequency dependence of the electric conductivity is different from those of self-diffusion coefficients in that the former is smaller than the latter in the gigahertz-terahertz region, which is compensated by the smaller dispersion of the former in the 100 MHz region. The analysis of the theoretical calculation shows that the difference in their frequency dependence is due to the different contribution of the short- and long-range liquid structures.

Dynamical diagnostics of the SST annual cycle in the eastern equatorial Pacific: Part II analysis of CMIP5 simulations

NASA Astrophysics Data System (ADS)

Chen, Ying-Ying; Jin, Fei-Fei

2017-12-01

In this study, a simple coupled framework established in Part I is utilized to investigate inter-model diversity in simulating the equatorial Pacific SST annual cycle (SSTAC). It demonstrates that the simulated amplitude and phase characteristics of SSTAC in models are controlled by two internal dynamical factors (the damping rate and phase speed) and two external forcing factors (the strength of the annual and semi-annual harmonic forcing). These four diagnostic factors are further condensed into a dynamical response factor and a forcing factor to derive theoretical solutions of amplitude and phase of SSTAC. The theoretical solutions are in remarkable agreement with observations and CMIP5 simulations. The great diversity in the simulated SSTACs is related to the spreads in these dynamic and forcing factors. Most models tend to simulate a weak SSTAC, due to their weak damping rate and annual harmonic forcing. The latter is due to bias in the meridional asymmetry of the annual mean state of the tropical Pacific, represented by the weak cross-equatorial winds in the cold tongue region.

Au36(SePh)24 nanomolecules: synthesis, optical spectroscopy and theoretical analysis.

PubMed

Rambukwella, Milan; Chang, Le; Ravishanker, Anish; Fortunelli, Alessandro; Stener, Mauro; Dass, Amala

2018-05-16

Here, we report the synthesis of selenophenol (HSePh) protected Au36(SePh)24 nanomolecules via a ligand-exchange reaction of 4-tert-butylbenzenethiol (HSPh-tBu) protected Au36(SPh-tBu)24 with selenophenol, and its spectroscopic and theoretical analysis. Matrix assisted laser desorption ionization (MALDI) mass spectrometry, electrospray ionization (ESI) mass spectrometry and optical characterization confirm that the composition of the as synthesized product is predominantly Au36(SePh)24 nanomolecules. Size exclusion chromatography (SEC) was employed to isolate the Au36(SePh)24 and temperature dependent optical absorption studies and theoretical analysis were performed. Theoretically, an Independent Component Maps of Oscillator Strength (ICM-OS) analysis of simulated spectra shows that the enhancement in absorption intensity in Au36(SePh)24 with respect to Au36(SPh)24 can be ascribed to the absence of interference and/or increased long-range coupling between interband metal core and ligand excitations. This work demonstrates and helps to understand the effect of Au-Se bridging on the properties of gold nanomolecules.

Laser Doppler velocimeter system simulation for sensing aircraft wake vortices. Part 2: Processing and analysis of LDV data (for runs 1023 and 2023)

NASA Technical Reports Server (NTRS)

Meng, J. C. S.; Thomson, J. A. L.

1975-01-01

A data analysis program constructed to assess LDV system performance, to validate the simulation model, and to test various vortex location algorithms is presented. Real or simulated Doppler spectra versus range and elevation is used and the spatial distributions of various spectral moments or other spectral characteristics are calculated and displayed. Each of the real or simulated scans can be processed by one of three different procedures: simple frequency or wavenumber filtering, matched filtering, and deconvolution filtering. The final output is displayed as contour plots in an x-y coordinate system, as well as in the form of vortex tracks deduced from the maxima of the processed data. A detailed analysis of run number 1023 and run number 2023 is presented to demonstrate the data analysis procedure. Vortex tracks and system range resolutions are compared with theoretical predictions.

Dynamics of social contagions with local trend imitation.

PubMed

Zhu, Xuzhen; Wang, Wei; Cai, Shimin; Stanley, H Eugene

2018-05-09

Research on social contagion dynamics has not yet included a theoretical analysis of the ubiquitous local trend imitation (LTI) characteristic. We propose a social contagion model with a tent-like adoption probability to investigate the effect of this LTI characteristic on behavior spreading. We also propose a generalized edge-based compartmental theory to describe the proposed model. Through extensive numerical simulations and theoretical analyses, we find a crossover in the phase transition: when the LTI capacity is strong, the growth of the final adoption size exhibits a second-order phase transition. When the LTI capacity is weak, we see a first-order phase transition. For a given behavioral information transmission probability, there is an optimal LTI capacity that maximizes the final adoption size. Finally we find that the above phenomena are not qualitatively affected by the heterogeneous degree distribution. Our suggested theoretical predictions agree with the simulation results.

Optical eye simulator for laser dazzle events.

PubMed

Coelho, João M P; Freitas, José; Williamson, Craig A

2016-03-20

An optical simulator of the human eye and its application to laser dazzle events are presented. The simulator combines optical design software (ZEMAX) with a scientific programming language (MATLAB) and allows the user to implement and analyze a dazzle scenario using practical, real-world parameters. Contrary to conventional analytical glare analysis, this work uses ray tracing and the scattering model and parameters for each optical element of the eye. The theoretical background of each such element is presented in relation to the model. The overall simulator's calibration, validation, and performance analysis are achieved by comparison with a simpler model based uponCIE disability glare data. Results demonstrate that this kind of advanced optical eye simulation can be used to represent laser dazzle and has the potential to extend the range of applicability of analytical models.

Moment analysis method as applied to the 2S --> 2P transition in cryogenic alkali metal/rare gas matrices.

PubMed

Terrill Vosbein, Heidi A; Boatz, Jerry A; Kenney, John W

2005-12-22

The moment analysis method (MA) has been tested for the case of 2S --> 2P ([core]ns1 --> [core]np1) transitions of alkali metal atoms (M) doped into cryogenic rare gas (Rg) matrices using theoretically validated simulations. Theoretical/computational M/Rg system models are constructed with precisely defined parameters that closely mimic known M/Rg systems. Monte Carlo (MC) techniques are then employed to generate simulated absorption and magnetic circular dichroism (MCD) spectra of the 2S --> 2P M/Rg transition to which the MA method can be applied with the goal of seeing how effective the MA method is in re-extracting the M/Rg system parameters from these known simulated systems. The MA method is summarized in general, and an assessment is made of the use of the MA method in the rigid shift approximation typically used to evaluate M/Rg systems. The MC-MCD simulation technique is summarized, and validating evidence is presented. The simulation results and the assumptions used in applying MA to M/Rg systems are evaluated. The simulation results on Na/Ar demonstrate that the MA method does successfully re-extract the 2P spin-orbit coupling constant and Landé g-factor values initially used to build the simulations. However, assigning physical significance to the cubic and noncubic Jahn-Teller (JT) vibrational mode parameters in cryogenic M/Rg systems is not supported.

Stochastic simulation of spatially correlated geo-processes

USGS Publications Warehouse

Christakos, G.

1987-01-01

In this study, developments in the theory of stochastic simulation are discussed. The unifying element is the notion of Radon projection in Euclidean spaces. This notion provides a natural way of reconstructing the real process from a corresponding process observable on a reduced dimensionality space, where analysis is theoretically easier and computationally tractable. Within this framework, the concept of space transformation is defined and several of its properties, which are of significant importance within the context of spatially correlated processes, are explored. The turning bands operator is shown to follow from this. This strengthens considerably the theoretical background of the geostatistical method of simulation, and some new results are obtained in both the space and frequency domains. The inverse problem is solved generally and the applicability of the method is extended to anisotropic as well as integrated processes. Some ill-posed problems of the inverse operator are discussed. Effects of the measurement error and impulses at origin are examined. Important features of the simulated process as described by geomechanical laws, the morphology of the deposit, etc., may be incorporated in the analysis. The simulation may become a model-dependent procedure and this, in turn, may provide numerical solutions to spatial-temporal geologic models. Because the spatial simu??lation may be technically reduced to unidimensional simulations, various techniques of generating one-dimensional realizations are reviewed. To link theory and practice, an example is computed in detail. ?? 1987 International Association for Mathematical Geology.

Computer Series, 13.

ERIC Educational Resources Information Center

Moore, John W., Ed.

1981-01-01

Provides short descriptions of chemists' applications of computers in instruction: an interactive instructional program for Instrumental-Qualitative Organic Analysis; question-and-answer exercises in organic chemistry; computerized organic nomenclature drills; integration of theoretical and descriptive materials; acid-base titration simulation;…

Information Diffusion in Facebook-Like Social Networks Under Information Overload

NASA Astrophysics Data System (ADS)

Li, Pei; Xing, Kai; Wang, Dapeng; Zhang, Xin; Wang, Hui

2013-07-01

Research on social networks has received remarkable attention, since many people use social networks to broadcast information and stay connected with their friends. However, due to the information overload in social networks, it becomes increasingly difficult for users to find useful information. This paper takes Facebook-like social networks into account, and models the process of information diffusion under information overload. The term view scope is introduced to model the user information-processing capability under information overload, and the average number of times a message appears in view scopes after it is generated is proposed to characterize the information diffusion efficiency. Through theoretical analysis, we find that factors such as network structure and view scope number have no impact on the information diffusion efficiency, which is a surprising result. To verify the results, we conduct simulations and provide the simulation results, which are consistent with the theoretical analysis results perfectly.

Dependence of synergy current driven by lower hybrid wave and electron cyclotron wave on the frequency and parallel refractive index of electron cyclotron wave for Tokamaks

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

Huang, J.; Chen, S. Y., E-mail: sychen531@163.com; Tang, C. J.

2014-01-15

The physical mechanism of the synergy current driven by lower hybrid wave (LHW) and electron cyclotron wave (ECW) in tokamaks is investigated using theoretical analysis and simulation methods in the present paper. Research shows that the synergy relationship between the two waves in velocity space strongly depends on the frequency ω and parallel refractive index N{sub //} of ECW. For a given spectrum of LHW, the parameter range of ECW, in which the synergy current exists, can be predicted by theoretical analysis, and these results are consistent with the simulation results. It is shown that the synergy effect is mainlymore » caused by the electrons accelerated by both ECW and LHW, and the acceleration of these electrons requires that there is overlap of the resonance regions of the two waves in velocity space.« less

Risk Analysis for Resource Planning Optimization

NASA Technical Reports Server (NTRS)

Chueng, Kar-Ming

2008-01-01

The main purpose of this paper is to introduce a risk management approach that allows planners to quantify the risk and efficiency tradeoff in the presence of uncertainties, and to make forward-looking choices in the development and execution of the plan. Demonstrate a planning and risk analysis framework that tightly integrates mathematical optimization, empirical simulation, and theoretical analysis techniques to solve complex problems.

Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.

PubMed

Resat, H; Mezei, M

1996-09-01

The grand canonical ensemble Monte Carlo molecular simulation method is used to investigate hydration patterns in the crystal hydrate structure of the dCpG/proflavine intercalated complex. The objective of this study is to show by example that the recently advocated grand canonical ensemble simulation is a computationally efficient method for determining the positions of the hydrating water molecules in protein and nucleic acid structures. A detailed molecular simulation convergence analysis and an analogous comparison of the theoretical results with experiments clearly show that the grand ensemble simulations can be far more advantageous than the comparable canonical ensemble simulations.

Stability analysis of dynamic collaboration model with control signals on two lanes

NASA Astrophysics Data System (ADS)

Li, Zhipeng; Zhang, Run; Xu, Shangzhi; Qian, Yeqing; Xu, Juan

2014-12-01

In this paper, the influence of control signals on the stability of two-lane traffic flow is mainly studied by applying control theory with lane changing behaviors. We present the two-lane dynamic collaboration model with lateral friction and the expressions of feedback control signals. What is more, utilizing the delayed feedback control theory to the two-lane dynamic collaboration model with control signals, we investigate the stability of traffic flow theoretically and the stability conditions for both lanes are derived with finding that the forward and lateral feedback signals can improve the stability of traffic flow while the backward feedback signals cannot achieve it. Besides, direct simulations are conducted to verify the results of theoretical analysis, which shows that the feedback signals have a significant effect on the running state of two vehicle groups, and the results are same with the theoretical analysis.

EnviroLand: A Simple Computer Program for Quantitative Stream Assessment.

ERIC Educational Resources Information Center

Dunnivant, Frank; Danowski, Dan; Timmens-Haroldson, Alice; Newman, Meredith

2002-01-01

Introduces the Enviroland computer program which features lab simulations of theoretical calculations for quantitative analysis and environmental chemistry, and fate and transport models. Uses the program to demonstrate the nature of linear and nonlinear equations. (Author/YDS)

Theoretic model and computer simulation of separating mixture metal particles from waste printed circuit board by electrostatic separator.

PubMed

Li, Jia; Xu, Zhenming; Zhou, Yaohe

2008-05-30

Traditionally, the mixture metals from waste printed circuit board (PCB) were sent to the smelt factory to refine pure copper. Some valuable metals (aluminum, zinc and tin) with low content in PCB were lost during smelt. A new method which used roll-type electrostatic separator (RES) to recovery low content metals in waste PCB was presented in this study. The theoretic model which was established from computing electric field and the analysis of forces on the particles was used to write a program by MATLAB language. The program was design to simulate the process of separating mixture metal particles. Electrical, material and mechanical factors were analyzed to optimize the operating parameters of separator. The experiment results of separating copper and aluminum particles by RES had a good agreement with computer simulation results. The model could be used to simulate separating other metal (tin, zinc, etc.) particles during the process of recycling waste PCBs by RES.

Study of discrete-particle effects in a one-dimensional plasma simulation with the Krook type collision model

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

Lai, Po-Yen; Chen, Liu; Institute for Fusion Theory and Simulation, Zhejiang University, 310027 Hangzhou

2015-09-15

The thermal relaxation time of a one-dimensional plasma has been demonstrated to scale with N{sub D}{sup 2} due to discrete particle effects by collisionless particle-in-cell (PIC) simulations, where N{sub D} is the particle number in a Debye length. The N{sub D}{sup 2} scaling is consistent with the theoretical analysis based on the Balescu-Lenard-Landau kinetic equation. However, it was found that the thermal relaxation time is anomalously shortened to scale with N{sub D} while externally introducing the Krook type collision model in the one-dimensional electrostatic PIC simulation. In order to understand the discrete particle effects enhanced by the Krook type collisionmore » model, the superposition principle of dressed test particles was applied to derive the modified Balescu-Lenard-Landau kinetic equation. The theoretical results are shown to be in good agreement with the simulation results when the collisional effects dominate the plasma system.« less

Enhanced modeling and simulation of EO/IR sensor systems

NASA Astrophysics Data System (ADS)

Hixson, Jonathan G.; Miller, Brian; May, Christopher

2015-05-01

The testing and evaluation process developed by the Night Vision and Electronic Sensors Directorate (NVESD) Modeling and Simulation Division (MSD) provides end to end systems evaluation, testing, and training of EO/IR sensors. By combining NV-LabCap, the Night Vision Integrated Performance Model (NV-IPM), One Semi-Automated Forces (OneSAF) input sensor file generation, and the Night Vision Image Generator (NVIG) capabilities, NVESD provides confidence to the M&S community that EO/IR sensor developmental and operational testing and evaluation are accurately represented throughout the lifecycle of an EO/IR system. This new process allows for both theoretical and actual sensor testing. A sensor can be theoretically designed in NV-IPM, modeled in NV-IPM, and then seamlessly input into the wargames for operational analysis. After theoretical design, prototype sensors can be measured by using NV-LabCap, then modeled in NV-IPM and input into wargames for further evaluation. The measurement process to high fidelity modeling and simulation can then be repeated again and again throughout the entire life cycle of an EO/IR sensor as needed, to include LRIP, full rate production, and even after Depot Level Maintenance. This is a prototypical example of how an engineering level model and higher level simulations can share models to mutual benefit.

Three-dimensional touch interface for medical education.

PubMed

Panchaphongsaphak, Bundit; Burgkart, Rainer; Riener, Robert

2007-05-01

We present the technical principle and evaluation of a multimodal virtual reality (VR) system for medical education, called a touch simulator. This touch simulator comes with an innovative three-dimensional (3-D) touch sensitive input device. The device comprises a six-axis force-torque sensor connected to a tangible object representing the shape of an anatomical structure. Information related to the point of contact is recorded by the sensor, processed, and audiovisually displayed. The touch simulator provides a high level of user-friendliness and fidelity compared to other purely graphically oriented simulation environments. In this paper, the touch simulator has been realized as an interactive neuroanatomical training simulator. The user can visualize and manipulate graphical information of the brain surface or different cross-sectional slices by a finger-touch on a brain-like shaped tangible object. We evaluated the system by theoretical derivations, experiments, and subjective questionnaires. In the theoretical analysis, we could show that the contact point estimation error mainly depends on the accuracy and the noise of the sensor, the amount and direction of the applied force, and the geometry of the tangible object. The theoretical results could be validated by experiments: applying a normal force of 10 N on a 120 mm x 120 mm x 120 mm cube causes a maximum error of 2.5 +/- 0.7 mm. This error becomes smaller when increasing the contact force. Based on the survey results, the touch simulator may be a useful tool for assisting medical schools in the visualization of brain image data and the study of neuroanatomy.

Performance evaluations of hybrid modulation with different optical labels over PDQ in high bit-rate OLS network systems.

PubMed

Xu, M; Li, Y; Kang, T Z; Zhang, T S; Ji, J H; Yang, S W

2016-11-14

Two orthogonal modulation optical label switching(OLS) schemes, which are based on payload of polarization multiplexing-differential quadrature phase shift keying(POLMUX-DQPSK or PDQ) modulated with identifications of duobinary (DB) label and pulse position modulation(PPM) label, are researched in high bit-rate OLS network. The BER performance of hybrid modulation with payload and label signals are discussed and evaluated in theory and simulation. The theoretical BER expressions of PDQ, PDQ-DB and PDQ-PPM are given with analysis method of hybrid modulation encoding in different the bit-rate ratios of payload and label. Theoretical derivation results are shown that the payload of hybrid modulation has a certain gain of receiver sensitivity than payload without label. The sizes of payload BER gain obtained from hybrid modulation are related to the different types of label. The simulation results are consistent with that of theoretical conclusions. The extinction ratio (ER) conflicting between hybrid encoding of intensity and phase types can be compromised and optimized in OLS system of hybrid modulation. The BER analysis method of hybrid modulation encoding in OLS system can be applied to other n-ary hybrid modulation or combination modulation systems.

Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation.

PubMed

Gao, Yipeng; Zhang, Yongfeng; Schwen, Daniel; Jiang, Chao; Sun, Cheng; Gan, Jian; Bai, Xian-Ming

2018-04-26

Nano-structured superlattices may have novel physical properties and irradiation is a powerful mean to drive their self-organization. However, the formation mechanism of superlattice under irradiation is still open for debate. Here we use atomic kinetic Monte Carlo simulations in conjunction with a theoretical analysis to understand and predict the self-organization of nano-void superlattices under irradiation, which have been observed in various types of materials for more than 40 years but yet to be well understood. The superlattice is found to be a result of spontaneous precipitation of voids from the matrix, a process similar to phase separation in regular solid solution, with the symmetry dictated by anisotropic materials properties such as one-dimensional interstitial atom diffusion. This discovery challenges the widely accepted empirical rule of the coherency between the superlattice and host matrix crystal lattice. The atomic scale perspective has enabled a new theoretical analysis to successfully predict the superlattice parameters, which are in good agreement with independent experiments. The theory developed in this work can provide guidelines for designing target experiments to tailor desired microstructure under irradiation. It may also be generalized for situations beyond irradiation, such as spontaneous phase separation with reaction.

Two dimensional kinetic analysis of electrostatic harmonic plasma waves

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

Fonseca-Pongutá, E. C.; Ziebell, L. F.; Gaelzer, R.

2016-06-15

Electrostatic harmonic Langmuir waves are virtual modes excited in weakly turbulent plasmas, first observed in early laboratory beam-plasma experiments as well as in rocket-borne active experiments in space. However, their unequivocal presence was confirmed through computer simulated experiments and subsequently theoretically explained. The peculiarity of harmonic Langmuir waves is that while their existence requires nonlinear response, their excitation mechanism and subsequent early time evolution are governed by essentially linear process. One of the unresolved theoretical issues regards the role of nonlinear wave-particle interaction process over longer evolution time period. Another outstanding issue is that existing theories for these modes aremore » limited to one-dimensional space. The present paper carries out two dimensional theoretical analysis of fundamental and (first) harmonic Langmuir waves for the first time. The result shows that harmonic Langmuir wave is essentially governed by (quasi)linear process and that nonlinear wave-particle interaction plays no significant role in the time evolution of the wave spectrum. The numerical solutions of the two-dimensional wave spectra for fundamental and harmonic Langmuir waves are also found to be consistent with those obtained by direct particle-in-cell simulation method reported in the literature.« less

A kinetic model for the characteristic surface morphologies of thin films by directional vapor deposition

NASA Astrophysics Data System (ADS)

Li, Kun-Dar; Huang, Po-Yu

2017-12-01

In order to simulate a process of directional vapor deposition, in this study, a numerical approach was applied to model the growth and evolution of surface morphologies for the crystallographic structures of thin films. The critical factors affecting the surface morphologies in a deposition process, such as the crystallographic symmetry, anisotropic interfacial energy, shadowing effect, and deposition rate, were all enclosed in the theoretical model. By altering the parameters of crystallographic symmetry in the structures, the faceted nano-columns with rectangular and hexagonal shapes were established in the simulation results. Furthermore, for revealing the influences of the anisotropic strength and the deposition rate theoretically on the crystallographic structure formations, various parameters adjusted in the numerical calculations were also investigated. Not only the morphologies but also the surface roughnesses for different processing conditions were distinctly demonstrated with the quantitative analysis of the simulations.

Theoretical modeling, simulation and experimental study of hybrid piezoelectric and electromagnetic energy harvester

NASA Astrophysics Data System (ADS)

Li, Ping; Gao, Shiqiao; Cong, Binglong

2018-03-01

In this paper, performances of vibration energy harvester combined piezoelectric (PE) and electromagnetic (EM) mechanism are studied by theoretical analysis, simulation and experimental test. For the designed harvester, electromechanical coupling modeling is established, and expressions of vibration response, output voltage, current and power are derived. Then, performances of the harvester are simulated and tested; moreover, the power charging rechargeable battery is realized through designed energy storage circuit. By the results, it's found that compared with piezoelectric-only and electromagnetic-only energy harvester, the hybrid energy harvester can enhance the output power and harvesting efficiency; furthermore, at the harmonic excitation, output power of harvester linearly increases with acceleration amplitude increasing; while it enhances with acceleration spectral density increasing at the random excitation. In addition, the bigger coupling strength, the bigger output power is, and there is the optimal load resistance to make the harvester output the maximal power.

Bio-inspired group modeling and analysis for intruder detection in mobile sensor/robotic networks.

PubMed

Fu, Bo; Xiao, Yang; Liang, Xiannuan; Philip Chen, C L

2015-01-01

Although previous bio-inspired models have concentrated on invertebrates (such as ants), mammals such as primates with higher cognitive function are valuable for modeling the increasingly complex problems in engineering. Understanding primates' social and communication systems, and applying what is learned from them to engineering domains is likely to inspire solutions to a number of problems. This paper presents a novel bio-inspired approach to determine group size by researching and simulating primate society. Group size does matter for both primate society and digital entities. It is difficult to determine how to group mobile sensors/robots that patrol in a large area when many factors are considered such as patrol efficiency, wireless interference, coverage, inter/intragroup communications, etc. This paper presents a simulation-based theoretical study on patrolling strategies for robot groups with the comparison of large and small groups through simulations and theoretical results.

Theoretical study of the ionospheric plasma cave in the equatorial ionization anomaly region

NASA Astrophysics Data System (ADS)

Chen, Yu-Tsung; Lin, C. H.; Chen, C. H.; Liu, J. Y.; Huba, J. D.; Chang, L. C.; Liu, H.-L.; Lin, J. T.; Rajesh, P. K.

2014-12-01

This paper investigates the physical mechanism of an unusual equatorial electron density structure, plasma cave, located underneath the equatorial ionization anomaly by using theoretical simulations. The simulation results provide important new understanding of the dynamics of the equatorial ionosphere. It has been suggested previously that unusual E>⇀×B>⇀ drifts might be responsible for the observed plasma cave structure, but model simulations in this paper suggest that the more likely cause is latitudinal meridional neutral wind variations. The neutral winds are featured by two divergent wind regions at off-equator latitudes and a convergent wind region around the magnetic equator, resulting in plasma divergences and convergence, respectively, to form the plasma caves structure. The tidal-decomposition analysis further suggests that the cave related meridional neutral winds and the intensity of plasma cave are highly associated with the migrating terdiurnal tidal component of the neutral winds.

T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges

PubMed Central

2010-01-01

Atomistic Molecular Dynamics provides powerful and flexible tools for the prediction and analysis of molecular and macromolecular systems. Specifically, it provides a means by which we can measure theoretically that which cannot be measured experimentally: the dynamic time-evolution of complex systems comprising atoms and molecules. It is particularly suitable for the simulation and analysis of the otherwise inaccessible details of MHC-peptide interaction and, on a larger scale, the simulation of the immune synapse. Progress has been relatively tentative yet the emergence of truly high-performance computing and the development of coarse-grained simulation now offers us the hope of accurately predicting thermodynamic parameters and of simulating not merely a handful of proteins but larger, longer simulations comprising thousands of protein molecules and the cellular scale structures they form. We exemplify this within the context of immunoinformatics. PMID:21067546

A Unified Framework for Analyzing and Designing for Stationary Arterial Networks

DOT National Transportation Integrated Search

2017-05-17

This research aims to develop a unified theoretical and simulation framework for analyzing and designing signals for stationary arterial networks. Existing traffic flow models used in design and analysis of signal control strategies are either too si...

A new method for qualitative simulation of water resources systems: 1. Theory

NASA Astrophysics Data System (ADS)

Camara, A. S.; Pinheiro, M.; Antunes, M. P.; Seixas, M. J.

1987-11-01

A new dynamic modeling methodology, SLIN (Simulação Linguistica), allowing for the analysis of systems defined by linguistic variables, is presented. SLIN applies a set of logical rules avoiding fuzzy theoretic concepts. To make the transition from qualitative to quantitative modes, logical rules are used as well. Extensions of the methodology to simulation-optimization applications and multiexpert system modeling are also discussed.

A quantum algorithm for obtaining the lowest eigenstate of a Hamiltonian assisted with an ancillary qubit system

NASA Astrophysics Data System (ADS)

Bang, Jeongho; Lee, Seung-Woo; Lee, Chang-Woo; Jeong, Hyunseok

2015-01-01

We propose a quantum algorithm to obtain the lowest eigenstate of any Hamiltonian simulated by a quantum computer. The proposed algorithm begins with an arbitrary initial state of the simulated system. A finite series of transforms is iteratively applied to the initial state assisted with an ancillary qubit. The fraction of the lowest eigenstate in the initial state is then amplified up to 1. We prove that our algorithm can faithfully work for any arbitrary Hamiltonian in the theoretical analysis. Numerical analyses are also carried out. We firstly provide a numerical proof-of-principle demonstration with a simple Hamiltonian in order to compare our scheme with the so-called "Demon-like algorithmic cooling (DLAC)", recently proposed in Xu (Nat Photonics 8:113, 2014). The result shows a good agreement with our theoretical analysis, exhibiting the comparable behavior to the best `cooling' with the DLAC method. We then consider a random Hamiltonian model for further analysis of our algorithm. By numerical simulations, we show that the total number of iterations is proportional to , where is the difference between the two lowest eigenvalues and is an error defined as the probability that the finally obtained system state is in an unexpected (i.e., not the lowest) eigenstate.

A 2-D numerical simulation study on longitudinal solute transport and longitudinal dispersion coefficient

NASA Astrophysics Data System (ADS)

Zhang, Wei

2011-07-01

The longitudinal dispersion coefficient, DL, is a fundamental parameter of longitudinal solute transport models: the advection-dispersion (AD) model and various deadzone models. Since DL cannot be measured directly, and since its calibration using tracer test data is quite expensive and not always available, researchers have developed various methods, theoretical or empirical, for estimating DL by easier available cross-sectional hydraulic measurements (i.e., the transverse velocity profile, etc.). However, for known and unknown reasons, DL cannot be satisfactorily predicted using these theoretical/empirical formulae. Either there is very large prediction error for theoretical methods, or there is a lack of generality for the empirical formulae. Here, numerical experiments using Mike21, a software package that implements one of the most rigorous two-dimensional hydrodynamic and solute transport equations, for longitudinal solute transport in hypothetical streams, are presented. An analysis of the evolution of simulated solute clouds indicates that the two fundamental assumptions in Fischer's longitudinal transport analysis may be not reasonable. The transverse solute concentration distribution, and hence the longitudinal transport appears to be controlled by a dimensionless number ?, where Q is the average volumetric flowrate, Dt is a cross-sectional average transverse dispersion coefficient, and W is channel flow width. A simple empirical ? relationship may be established. Analysis and a revision of Fischer's theoretical formula suggest that ɛ influences the efficiency of transverse mixing and hence has restraining effect on longitudinal spreading. The findings presented here would improve and expand our understanding of longitudinal solute transport in open channel flow.

An original traffic additional emission model and numerical simulation on a signalized road

NASA Astrophysics Data System (ADS)

Zhu, Wen-Xing; Zhang, Jing-Yu

2017-02-01

Based on VSP (Vehicle Specific Power) model traffic real emissions were theoretically classified into two parts: basic emission and additional emission. An original additional emission model was presented to calculate the vehicle's emission due to the signal control effects. Car-following model was developed and used to describe the traffic behavior including cruising, accelerating, decelerating and idling at a signalized intersection. Simulations were conducted under two situations: single intersection and two adjacent intersections with their respective control policy. Results are in good agreement with the theoretical analysis. It is also proved that additional emission model may be used to design the signal control policy in our modern traffic system to solve the serious environmental problems.

Efficient field-theoretic simulation of polymer solutions

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

Villet, Michael C.; Fredrickson, Glenn H., E-mail: ghf@mrl.ucsb.edu; Department of Materials, University of California, Santa Barbara, California 93106

2014-12-14

We present several developments that facilitate the efficient field-theoretic simulation of polymers by complex Langevin sampling. A regularization scheme using finite Gaussian excluded volume interactions is used to derive a polymer solution model that appears free of ultraviolet divergences and hence is well-suited for lattice-discretized field theoretic simulation. We show that such models can exhibit ultraviolet sensitivity, a numerical pathology that dramatically increases sampling error in the continuum lattice limit, and further show that this pathology can be eliminated by appropriate model reformulation by variable transformation. We present an exponential time differencing algorithm for integrating complex Langevin equations for fieldmore » theoretic simulation, and show that the algorithm exhibits excellent accuracy and stability properties for our regularized polymer model. These developments collectively enable substantially more efficient field-theoretic simulation of polymers, and illustrate the importance of simultaneously addressing analytical and numerical pathologies when implementing such computations.« less

Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.

PubMed Central

Resat, H; Mezei, M

1996-01-01

The grand canonical ensemble Monte Carlo molecular simulation method is used to investigate hydration patterns in the crystal hydrate structure of the dCpG/proflavine intercalated complex. The objective of this study is to show by example that the recently advocated grand canonical ensemble simulation is a computationally efficient method for determining the positions of the hydrating water molecules in protein and nucleic acid structures. A detailed molecular simulation convergence analysis and an analogous comparison of the theoretical results with experiments clearly show that the grand ensemble simulations can be far more advantageous than the comparable canonical ensemble simulations. Images FIGURE 5 FIGURE 7 PMID:8873992

Variability Analysis of MOS Differential Amplifier

NASA Astrophysics Data System (ADS)

Aoki, Masakazu; Seto, Kenji; Yamawaki, Taizo; Tanaka, Satoshi

Variation characteristics in MOS differential amplifier are evaluated by using the concise statistical model parameters for SPICE simulation. We find that the variation in the differential-mode gain, Adm, induced by the current factor variation, Δβ0, in the Id-variation of the differential MOS transistors is more than one order of magnitude larger than that induced by the threshold voltage variation, ΔVth, which has been regarded as a major factor for circuit variations in SoC's (2). The results obtained by the Monte Carlo simulations are verified by the theoretical analysis combined with the sensitivity analysis which clarifies the specific device parameter dependences of the variation in Adm.

Study on magnetic force of electromagnetic levitation circular knitting machine

NASA Astrophysics Data System (ADS)

Wu, X. G.; Zhang, C.; Xu, X. S.; Zhang, J. G.; Yan, N.; Zhang, G. Z.

2018-06-01

The structure of the driving coil and the electromagnetic force of the test prototype of electromagnetic-levitation (EL) circular knitting machine are studied. In this paper, the driving coil’s structure and working principle of the EL circular knitting machine are firstly introduced, then the mathematical modelling analysis of the driving electromagnetic force is carried out, and through the Ansoft Maxwell finite element simulation software the coil’s magnetic induction intensity and the needle’s electromagnetic force is simulated, finally an experimental platform is built to measure the coil’s magnetic induction intensity and the needle’s electromagnetic force. The results show that the theoretical analysis, the simulation analysis and the results of the test are very close, which proves the correctness of the proposed model.

Confident but not theoretically grounded - experienced simulation educators' perceptions of their own professional development.

PubMed

Allvin, Renée; Berndtzon, Magnus; Carlzon, Liisa; Edelbring, Samuel; Hult, Håkan; Hultin, Magnus; Karlgren, Klas; Masiello, Italo; Södersved Källestedt, Marie-Louise; Tamás, Éva

2017-01-01

Medical simulation enables the design of learning activities for competency areas (eg, communication and leadership) identified as crucial for future health care professionals. Simulation educators and medical teachers follow different career paths, and their education backgrounds and teaching contexts may be very different in a simulation setting. Although they have a key role in facilitating learning, information on the continuing professional development (pedagogical development) of simulation educators is not available in the literature. To explore changes in experienced simulation educators' perceptions of their own teaching skills, practices, and understanding of teaching over time. A qualitative exploratory study. Fourteen experienced simulation educators participated in individual open-ended interviews focusing on their development as simulation educators. Data were analyzed using an inductive thematic analysis. Marked educator development was discerned over time, expressed mainly in an altered way of thinking and acting. Five themes were identified: shifting focus, from following to utilizing a structure, setting goals, application of technology, and alignment with profession. Being confident in the role as an instructor seemed to constitute a foundation for the instructor's pedagogical development. Experienced simulation educators' pedagogical development was based on self-confidence in the educator role, and not on a deeper theoretical understanding of teaching and learning. This is the first clue to gain increased understanding regarding educational level and possible education needs among simulation educators, and it might generate several lines of research for further studies.

Perspective: Markov models for long-timescale biomolecular dynamics.

PubMed

Schwantes, C R; McGibbon, R T; Pande, V S

2014-09-07

Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is insufficient, as researchers must be able to transform the data in a simulation trajectory into specific scientific insights. Although this analysis step has often been taken for granted, it deserves further attention as large-scale simulations become increasingly routine. In this perspective, we discuss the application of Markov models to the analysis of large-scale biomolecular simulations. We draw attention to recent improvements in the construction of these models as well as several important open issues. In addition, we highlight recent theoretical advances that pave the way for a new generation of models of molecular kinetics.

Analysis in temporal regime of dispersive invisible structures designed from transformation optics

NASA Astrophysics Data System (ADS)

Gralak, B.; Arismendi, G.; Avril, B.; Diatta, A.; Guenneau, S.

2016-03-01

A simple invisible structure made of two anisotropic homogeneous layers is analyzed theoretically in temporal regime. The frequency dispersion is introduced and analytic expression of the transient part of the field is derived for large times when the structure is illuminated by a causal excitation. This expression shows that the limiting amplitude principle applies with transient fields decaying as the power -3 /4 of the time. The quality of the cloak is then reduced at short times and remains preserved at large times. The one-dimensional theoretical analysis is supplemented with full-wave numerical simulations in two-dimensional situations which confirm the effect of dispersion.

One-dimensional barcode reading: an information theoretic approach

NASA Astrophysics Data System (ADS)

Houni, Karim; Sawaya, Wadih; Delignon, Yves

2008-03-01

In the convergence context of identification technology and information-data transmission, the barcode found its place as the simplest and the most pervasive solution for new uses, especially within mobile commerce, bringing youth to this long-lived technology. From a communication theory point of view, a barcode is a singular coding based on a graphical representation of the information to be transmitted. We present an information theoretic approach for 1D image-based barcode reading analysis. With a barcode facing the camera, distortions and acquisition are modeled as a communication channel. The performance of the system is evaluated by means of the average mutual information quantity. On the basis of this theoretical criterion for a reliable transmission, we introduce two new measures: the theoretical depth of field and the theoretical resolution. Simulations illustrate the gain of this approach.

One-dimensional barcode reading: an information theoretic approach.

PubMed

Houni, Karim; Sawaya, Wadih; Delignon, Yves

2008-03-10

In the convergence context of identification technology and information-data transmission, the barcode found its place as the simplest and the most pervasive solution for new uses, especially within mobile commerce, bringing youth to this long-lived technology. From a communication theory point of view, a barcode is a singular coding based on a graphical representation of the information to be transmitted. We present an information theoretic approach for 1D image-based barcode reading analysis. With a barcode facing the camera, distortions and acquisition are modeled as a communication channel. The performance of the system is evaluated by means of the average mutual information quantity. On the basis of this theoretical criterion for a reliable transmission, we introduce two new measures: the theoretical depth of field and the theoretical resolution. Simulations illustrate the gain of this approach.

The Real-World Connection.

ERIC Educational Resources Information Center

Estes, Charles R.

1994-01-01

Discusses theoretical versus applied science and the use of the scientific method for analysis of social issues. Topics addressed include the use of simulation and modeling; the growth in computer power, including nanotechnology; distributed computing; self-evolving programs; spiritual matters; human engineering, i.e., molding individuals;…

DEVELOPMENT OF COMPUTATIONAL TOOLS FOR OPTIMAL IDENTIFICATION OF BIOLOGICAL NETWORKS

EPA Science Inventory

Following the theoretical analysis and computer simulations, the next step for the development of SNIP will be a proof-of-principle laboratory application. Specifically, we have obtained a synthetic transcriptional cascade (harbored in Escherichia coli...

Modeling and simulation of driver's anticipation effect in a two lane system on curved road with slope

NASA Astrophysics Data System (ADS)

Kaur, Ramanpreet; Sharma, Sapna

2018-06-01

The complexity of traffic flow phenomena on curved road with slope is investigated and a new lattice model is presented with the addition of driver's anticipation effect for two lane system. The condition under which the free flow turns into the jammed one, is obtained theoretically by using stability analysis. The results obtained through linear analysis indicates that the stable region increases (decreases) corresponding to uphill (downhill) case due to increasing slope angle for fixed anticipation parameter. It is found that when the vehicular density becomes higher than a critical value, traffic jam appears in the form of kink antikink density waves. Analytically, the kink antikink density waves are described by the solution of mKdV equation obtained from non linear analysis. In addition, the theoretical results has been verified through numerical simulation, which confirm that the slope on a curved highway significantly influence the traffic dynamics and traffic jam can be suppressed efficiently by considering the anticipation parameter in a two lane lattice model when lane changing is allowed.

Theoretical foundations of learning through simulation.

PubMed

Zigmont, Jason J; Kappus, Liana J; Sudikoff, Stephanie N

2011-04-01

Health care simulation is a powerful educational tool to help facilitate learning for clinicians and change their practice to improve patient outcomes and safety. To promote effective life-long learning through simulation, the educator needs to consider individuals, their experiences, and their environments. Effective education of adults through simulation requires a sound understanding of both adult learning theory and experiential learning. This review article provides a framework for developing and facilitating simulation courses, founded upon empiric and theoretic research in adult and experiential learning. Specifically, this article provides a theoretic foundation for using simulation to change practice to improve patient outcomes and safety. Copyright © 2011 Elsevier Inc. All rights reserved.

Mathematic models for a ray tracing method and its applications in wireless optical communications.

PubMed

Zhang, Minglun; Zhang, Yangan; Yuan, Xueguang; Zhang, Jinnan

2010-08-16

This paper presents a new ray tracing method, which contains a whole set of mathematic models, and its validity is verified by simulations. In addition, both theoretical analysis and simulation results show that the computational complexity of the method is much lower than that of previous ones. Therefore, the method can be used to rapidly calculate the impulse response of wireless optical channels for complicated systems.

Neuromorphic Implementation of Attractor Dynamics in a Two-Variable Winner-Take-All Circuit with NMDARs: A Simulation Study

PubMed Central

You, Hongzhi; Wang, Da-Hui

2017-01-01

Neural networks configured with winner-take-all (WTA) competition and N-methyl-D-aspartate receptor (NMDAR)-mediated synaptic dynamics are endowed with various dynamic characteristics of attractors underlying many cognitive functions. This paper presents a novel method for neuromorphic implementation of a two-variable WTA circuit with NMDARs aimed at implementing decision-making, working memory and hysteresis in visual perceptions. The method proposed is a dynamical system approach of circuit synthesis based on a biophysically plausible WTA model. Notably, slow and non-linear temporal dynamics of NMDAR-mediated synapses was generated. Circuit simulations in Cadence reproduced ramping neural activities observed in electrophysiological recordings in experiments of decision-making, the sustained activities observed in the prefrontal cortex during working memory, and classical hysteresis behavior during visual discrimination tasks. Furthermore, theoretical analysis of the dynamical system approach illuminated the underlying mechanisms of decision-making, memory capacity and hysteresis loops. The consistence between the circuit simulations and theoretical analysis demonstrated that the WTA circuit with NMDARs was able to capture the attractor dynamics underlying these cognitive functions. Their physical implementations as elementary modules are promising for assembly into integrated neuromorphic cognitive systems. PMID:28223913

Back to BaySICS: a user-friendly program for Bayesian Statistical Inference from Coalescent Simulations.

PubMed

Sandoval-Castellanos, Edson; Palkopoulou, Eleftheria; Dalén, Love

2014-01-01

Inference of population demographic history has vastly improved in recent years due to a number of technological and theoretical advances including the use of ancient DNA. Approximate Bayesian computation (ABC) stands among the most promising methods due to its simple theoretical fundament and exceptional flexibility. However, limited availability of user-friendly programs that perform ABC analysis renders it difficult to implement, and hence programming skills are frequently required. In addition, there is limited availability of programs able to deal with heterochronous data. Here we present the software BaySICS: Bayesian Statistical Inference of Coalescent Simulations. BaySICS provides an integrated and user-friendly platform that performs ABC analyses by means of coalescent simulations from DNA sequence data. It estimates historical demographic population parameters and performs hypothesis testing by means of Bayes factors obtained from model comparisons. Although providing specific features that improve inference from datasets with heterochronous data, BaySICS also has several capabilities making it a suitable tool for analysing contemporary genetic datasets. Those capabilities include joint analysis of independent tables, a graphical interface and the implementation of Markov-chain Monte Carlo without likelihoods.

Neuromorphic Implementation of Attractor Dynamics in a Two-Variable Winner-Take-All Circuit with NMDARs: A Simulation Study.

PubMed

You, Hongzhi; Wang, Da-Hui

2017-01-01

Neural networks configured with winner-take-all (WTA) competition and N-methyl-D-aspartate receptor (NMDAR)-mediated synaptic dynamics are endowed with various dynamic characteristics of attractors underlying many cognitive functions. This paper presents a novel method for neuromorphic implementation of a two-variable WTA circuit with NMDARs aimed at implementing decision-making, working memory and hysteresis in visual perceptions. The method proposed is a dynamical system approach of circuit synthesis based on a biophysically plausible WTA model. Notably, slow and non-linear temporal dynamics of NMDAR-mediated synapses was generated. Circuit simulations in Cadence reproduced ramping neural activities observed in electrophysiological recordings in experiments of decision-making, the sustained activities observed in the prefrontal cortex during working memory, and classical hysteresis behavior during visual discrimination tasks. Furthermore, theoretical analysis of the dynamical system approach illuminated the underlying mechanisms of decision-making, memory capacity and hysteresis loops. The consistence between the circuit simulations and theoretical analysis demonstrated that the WTA circuit with NMDARs was able to capture the attractor dynamics underlying these cognitive functions. Their physical implementations as elementary modules are promising for assembly into integrated neuromorphic cognitive systems.

Miscible gravitational instability of initially stable horizontal interface in a porous medium: Non-monotonic density profiles

NASA Astrophysics Data System (ADS)

Kim, Min Chan

2014-11-01

To simulate a CO2 sequestration process, some researchers employed a water/propylene glycol (PPG) system which shows a non-monotonic density profile. Motivated by this fact, the stability of the diffusion layer of two miscible fluids saturated in a porous medium is analyzed. For a non-monotonic density profile system, linear stability equations are derived in a global domain, and then transformed into a system of ordinary differential equations in an infinite domain. Initial growth rate analysis is conducted without the quasi-steady state approximation (QSSA) and shows that initially the system is unconditionally stable for the least stable disturbance. For the time evolving case, the ordinary differential equations are solved applying the eigen-analysis and numerical shooting scheme with and without the QSSA. To support these theoretical results, direct numerical simulations are conducted using the Fourier spectral method. The results of theoretical linear stability analyses and numerical simulations validate one another. The present linear and nonlinear analyses show that the water/PPG system is more unstable than the CO2/brine one, and the flow characteristics of these two systems are quite different from each other.

Noise model for low-frequency through-the-Earth communication

NASA Astrophysics Data System (ADS)

Raab, Frederick H.

2010-12-01

Analysis and simulation of through-the-Earth communication links and signal processing techniques require a more complete noise model than is needed for the analysis of conventional communication systems. This paper presents a multicomponent noise model that includes impulsive characteristics, direction-of-arrival characteristics, and effects of local geology. The noise model is derived from theoretical considerations and confirmed by field tests.

Modeling Supernova Shocks with Intense Lasers.

NASA Astrophysics Data System (ADS)

Blue, Brent

2006-04-01

Large-scale directional outflows of supersonic plasma are ubiquitous phenomena in astrophysics, with specific application to supernovae. The traditional approach to understanding such phenomena is through theoretical analysis and numerical simulations. However, theoretical analysis might not capture all the relevant physics and numerical simulations have limited resolution and fail to scale correctly in Reynolds number and perhaps other key dimensionless parameters. Recent advances in high energy density physics using large inertial confinement fusion devices now allow controlled laboratory experiments on macroscopic volumes of plasma of direct relevance to astrophysics. This talk will present an overview of these facilities as well as results from current laboratory astrophysics experiments designed to study hydrodynamic jets and Rayleigh-Taylor mixing. This work is performed under the auspices of the U. S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48, Los Alamos National Laboratory under Contract No. W-7405-ENG-36, and the Laboratory for Laser Energetics under Contract No. DE-FC03-92SF19460.

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

Chen, Qiang, E-mail: cq0405@126.com; Luoyang Electronic Equipment Testing Center, Luoyang 471000; Chen, Bin, E-mail: emcchen@163.com

The Rayleigh-Taylor (R-T) instabilities are important hydrodynamics and magnetohydrodynamics (MHD) phenomena that are found in systems in high energy density physics and normal fluids. The formation and evolution of the R-T instability at channel boundary during back-flow of the lightning return stroke are analyzed using the linear perturbation theory and normal mode analysis methods, and the linear growth rate of the R-T instability in typical condition for lightning return stroke channel is obtained. Then, the R-T instability phenomena of lightning return stroke are simulated using a two-dimensional Eulerian finite volumes resistive radiation MHD code. The numerical results show that themore » evolution characteristics of the R-T instability in the early stage of back-flow are consistent with theoretical predictions obtained by linear analysis. The simulation also yields more evolution characteristics for the R-T instability beyond the linear theory. The results of this work apply to some observed features of the return stroke channel and further advance previous theoretical and experimental work.« less

Model and Dynamic Behavior of Malware Propagation over Wireless Sensor Networks

NASA Astrophysics Data System (ADS)

Song, Yurong; Jiang, Guo-Ping

Based on the inherent characteristics of wireless sensor networks (WSN), the dynamic behavior of malware propagation in flat WSN is analyzed and investigated. A new model is proposed using 2-D cellular automata (CA), which extends the traditional definition of CA and establishes whole transition rules for malware propagation in WSN. Meanwhile, the validations of the model are proved through theoretical analysis and simulations. The theoretical analysis yields closed-form expressions which show good agreement with the simulation results of the proposed model. It is shown that the malware propaga-tion in WSN unfolds neighborhood saturation, which dominates the effects of increasing infectivity and limits the spread of the malware. MAC mechanism of wireless sensor networks greatly slows down the speed of malware propagation and reduces the risk of large-scale malware prevalence in these networks. The proposed model can describe accurately the dynamic behavior of malware propagation over WSN, which can be applied in developing robust and efficient defense system on WSN.

Probabilistic sensitivity analysis incorporating the bootstrap: an example comparing treatments for the eradication of Helicobacter pylori.

PubMed

Pasta, D J; Taylor, J L; Henning, J M

1999-01-01

Decision-analytic models are frequently used to evaluate the relative costs and benefits of alternative therapeutic strategies for health care. Various types of sensitivity analysis are used to evaluate the uncertainty inherent in the models. Although probabilistic sensitivity analysis is more difficult theoretically and computationally, the results can be much more powerful and useful than deterministic sensitivity analysis. The authors show how a Monte Carlo simulation can be implemented using standard software to perform a probabilistic sensitivity analysis incorporating the bootstrap. The method is applied to a decision-analytic model evaluating the cost-effectiveness of Helicobacter pylori eradication. The necessary steps are straightforward and are described in detail. The use of the bootstrap avoids certain difficulties encountered with theoretical distributions. The probabilistic sensitivity analysis provided insights into the decision-analytic model beyond the traditional base-case and deterministic sensitivity analyses and should become the standard method for assessing sensitivity.

The structure of geopolymers - Theoretical studies

NASA Astrophysics Data System (ADS)

Koleżyński, Andrzej; Król, Magdalena; Żychowicz, Mikołaj

2018-07-01

This work presents the results of DFT and classical mechanics' calculations and theoretical analysis of geopolymer structure. The calculations were carried out using a bottom-up approach (from small oligomers to clusters with increasing size) for various Si:Al ratio. For all model structures after geometry optimization, respective IR spectra were simulated and compared with the experimental ones. The obtained results show that the concordance of simulated spectra with the experiment, for a given Si:Al ratio, increases with the size of the cluster and increasing local order. Moreover, the increase of the level of local disorder (structure "openness") results in significant band splitting, not observable in real geopolymers. This suggest that, in the case of real geopolymeric structures one can expect the presence of reasonably big, ordered structural fragments, analogous to zeolites.

[Brownian dynamics simulations of protein-protein interactions in photosynthetic electron transport chain].

PubMed

Khruschev, S S; Abaturova, A M; Diakonova, A N; Fedorov, V A; Ustinin, D M; Kovalenko, I B; Riznichenko, G Yu; Rubin, A B

2015-01-01

The application of Brownian dynamics for simulation of transient protein-protein interactions is reviewed. The review focuses on theoretical basics of Brownian dynamics method, its particular implementations, advantages and drawbacks of the method. The outlook for future development of Brownian dynamics-based simulation techniques is discussed. Special attention is given to analysis of Brownian dynamics trajectories. The second part of the review is dedicated to the role of Brownian dynamics simulations in studying photosynthetic electron transport. Interactions of mobile electron carriers (plastocyanin, cytochrome c6, and ferredoxin) with their reaction partners (cytochrome b6f complex, photosystem I, ferredoxin:NADP-reductase, and hydrogenase) are considered.

MHD Instability and Turbulence in the Tachocline

NASA Technical Reports Server (NTRS)

Werne, Joseph

2001-01-01

In this quarter we have begun simulations on the Cray T3E at PSC and we are debugging our code on the TSC. The PSC simulations are examining stratified shear turbulence with a flow-aligned magnetic field and passive tracer particles. We have conducted analysis of neutral simulations to establish a firm basis of comparison. Second-order structure functions have been computed, fit, and compared to theoretical expressions relating the dissipation fields and the structure-function-fit parameters. Agreement with high-Reynolds number observations is excellent, giving us confidence that the lower-Re simulations are relevant to higher-Re flows. We have also evaluated the neutral layer anisotropy.

Modeling laser velocimeter signals as triply stochastic Poisson processes

NASA Technical Reports Server (NTRS)

Mayo, W. T., Jr.

1976-01-01

Previous models of laser Doppler velocimeter (LDV) systems have not adequately described dual-scatter signals in a manner useful for analysis and simulation of low-level photon-limited signals. At low photon rates, an LDV signal at the output of a photomultiplier tube is a compound nonhomogeneous filtered Poisson process, whose intensity function is another (slower) Poisson process with the nonstationary rate and frequency parameters controlled by a random flow (slowest) process. In the present paper, generalized Poisson shot noise models are developed for low-level LDV signals. Theoretical results useful in detection error analysis and simulation are presented, along with measurements of burst amplitude statistics. Computer generated simulations illustrate the difference between Gaussian and Poisson models of low-level signals.

Multiscale molecular dynamics simulations of rotary motor proteins.

PubMed

Ekimoto, Toru; Ikeguchi, Mitsunori

2018-04-01

Protein functions require specific structures frequently coupled with conformational changes. The scale of the structural dynamics of proteins spans from the atomic to the molecular level. Theoretically, all-atom molecular dynamics (MD) simulation is a powerful tool to investigate protein dynamics because the MD simulation is capable of capturing conformational changes obeying the intrinsically structural features. However, to study long-timescale dynamics, efficient sampling techniques and coarse-grained (CG) approaches coupled with all-atom MD simulations, termed multiscale MD simulations, are required to overcome the timescale limitation in all-atom MD simulations. Here, we review two examples of rotary motor proteins examined using free energy landscape (FEL) analysis and CG-MD simulations. In the FEL analysis, FEL is calculated as a function of reaction coordinates, and the long-timescale dynamics corresponding to conformational changes is described as transitions on the FEL surface. Another approach is the utilization of the CG model, in which the CG parameters are tuned using the fluctuation matching methodology with all-atom MD simulations. The long-timespan dynamics is then elucidated straightforwardly by using CG-MD simulations.

Solution of AntiSeepage for Mengxi River Based on Numerical Simulation of Unsaturated Seepage

PubMed Central

Ji, Youjun; Zhang, Linzhi; Yue, Jiannan

2014-01-01

Lessening the leakage of surface water can reduce the waste of water resources and ground water pollution. To solve the problem that Mengxi River could not store water enduringly, geology investigation, theoretical analysis, experiment research, and numerical simulation analysis were carried out. Firstly, the seepage mathematical model was established based on unsaturated seepage theory; secondly, the experimental equipment for testing hydraulic conductivity of unsaturated soil was developed to obtain the curve of two-phase flow. The numerical simulation of leakage in natural conditions proves the previous inference and leakage mechanism of river. At last, the seepage control capacities of different impervious materials were compared by numerical simulations. According to the engineering actuality, the impervious material was selected. The impervious measure in this paper has been proved to be effectible by hydrogeological research today. PMID:24707199

Action simulation: time course and representational mechanisms

PubMed Central

Springer, Anne; Parkinson, Jim; Prinz, Wolfgang

2013-01-01

The notion of action simulation refers to the ability to re-enact foreign actions (i.e., actions observed in other individuals). Simulating others' actions implies a mirroring of their activities, based on one's own sensorimotor competencies. Here, we discuss theoretical and experimental approaches to action simulation and the study of its representational underpinnings. One focus of our discussion is on the timing of internal simulation and its relation to the timing of external action, and a paradigm that requires participants to predict the future course of actions that are temporarily occluded from view. We address transitions between perceptual mechanisms (referring to action representation before and after occlusion) and simulation mechanisms (referring to action representation during occlusion). Findings suggest that action simulation runs in real-time; acting on newly created action representations rather than relying on continuous visual extrapolations. A further focus of our discussion pertains to the functional characteristics of the mechanisms involved in predicting other people's actions. We propose that two processes are engaged, dynamic updating and static matching, which may draw on both semantic and motor information. In a concluding section, we discuss these findings in the context of broader theoretical issues related to action and event representation, arguing that a detailed functional analysis of action simulation in cognitive, neural, and computational terms may help to further advance our understanding of action cognition and motor control. PMID:23847563

A new theoretical approach to analyze complex processes in cytoskeleton proteins.

PubMed

Li, Xin; Kolomeisky, Anatoly B

2014-03-20

Cytoskeleton proteins are filament structures that support a large number of important biological processes. These dynamic biopolymers exist in nonequilibrium conditions stimulated by hydrolysis chemical reactions in their monomers. Current theoretical methods provide a comprehensive picture of biochemical and biophysical processes in cytoskeleton proteins. However, the description is only qualitative under biologically relevant conditions because utilized theoretical mean-field models neglect correlations. We develop a new theoretical method to describe dynamic processes in cytoskeleton proteins that takes into account spatial correlations in the chemical composition of these biopolymers. Our approach is based on analysis of probabilities of different clusters of subunits. It allows us to obtain exact analytical expressions for a variety of dynamic properties of cytoskeleton filaments. By comparing theoretical predictions with Monte Carlo computer simulations, it is shown that our method provides a fully quantitative description of complex dynamic phenomena in cytoskeleton proteins under all conditions.

Performance Analysis of HF Band FB-MC-SS

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

Hussein Moradi; Stephen Andrew Laraway; Behrouz Farhang-Boroujeny

Abstract—In a recent paper [1] the filter bank multicarrier spread spectrum (FB-MC-SS) waveform was proposed for wideband spread spectrum HF communications. A significant benefit of this waveform is robustness against narrow and partial band interference. Simulation results in [1] demonstrated good performance in a wideband HF channel over a wide range of conditions. In this paper we present a theoretical analysis of the bit error probably for this system. Our analysis tailors the results from [2] where BER performance was analyzed for maximum ration combining systems that accounted for correlation between subcarriers and channel estimation error. Equations are give formore » BER that closely match the simulated performance in most situations.« less

Simulation and Analysis of One-time Forming Process of Automobile Steering Ball Head

NASA Astrophysics Data System (ADS)

Shi, Peicheng; Zhang, Xujun; Xu, Zengwei; Zhang, Rongyun

2018-03-01

Aiming at the problems such as large machining allowance, low production efficiency and material waste during die forging of ball pin, the cold extrusion process of ball head was studied and the analog simulation of the forming process was carried out by using the finite element analysis software DEFORM-3D. Through the analysis of the equivalent stress strain, velocity vector field and load-displacement curve, the flow regularity of the metal during the cold extrusion process of ball pin was clarified, and possible defects during the molding were predicted. The results showed that this process could solve the forming problem of ball pin and provide theoretical basis for actual production of enterprises.

Robust MOE Detector for DS-CDMA Systems with Signature Waveform Mismatch

NASA Astrophysics Data System (ADS)

Lin, Tsui-Tsai

In this letter, a decision-directed MOE detector with excellent robustness against signature waveform mismatch is proposed for DS-CDMA systems. Both the theoretic analysis and computer simulation results demonstrate that the proposed detector can provide better SINR performance than that of conventional detectors.

Error analysis of high-rate GNSS precise point positioning for seismic wave measurement

NASA Astrophysics Data System (ADS)

Shu, Yuanming; Shi, Yun; Xu, Peiliang; Niu, Xiaoji; Liu, Jingnan

2017-06-01

High-rate GNSS precise point positioning (PPP) has been playing a more and more important role in providing precise positioning information in fast time-varying environments. Although kinematic PPP is commonly known to have a precision of a few centimeters, the precision of high-rate PPP within a short period of time has been reported recently with experiments to reach a few millimeters in the horizontal components and sub-centimeters in the vertical component to measure seismic motion, which is several times better than the conventional kinematic PPP practice. To fully understand the mechanism of mystified excellent performance of high-rate PPP within a short period of time, we have carried out a theoretical error analysis of PPP and conducted the corresponding simulations within a short period of time. The theoretical analysis has clearly indicated that the high-rate PPP errors consist of two types: the residual systematic errors at the starting epoch, which affect high-rate PPP through the change of satellite geometry, and the time-varying systematic errors between the starting epoch and the current epoch. Both the theoretical error analysis and simulated results are fully consistent with and thus have unambiguously confirmed the reported high precision of high-rate PPP, which has been further affirmed here by the real data experiments, indicating that high-rate PPP can indeed achieve the millimeter level of precision in the horizontal components and the sub-centimeter level of precision in the vertical component to measure motion within a short period of time. The simulation results have clearly shown that the random noise of carrier phases and higher order ionospheric errors are two major factors to affect the precision of high-rate PPP within a short period of time. The experiments with real data have also indicated that the precision of PPP solutions can degrade to the cm level in both the horizontal and vertical components, if the geometry of satellites is rather poor with a large DOP value.

Confident but not theoretically grounded – experienced simulation educators’ perceptions of their own professional development

PubMed Central

Allvin, Renée; Berndtzon, Magnus; Carlzon, Liisa; Edelbring, Samuel; Hult, Håkan; Hultin, Magnus; Karlgren, Klas; Masiello, Italo; Södersved Källestedt, Marie-Louise; Tamás, Éva

2017-01-01

Background Medical simulation enables the design of learning activities for competency areas (eg, communication and leadership) identified as crucial for future health care professionals. Simulation educators and medical teachers follow different career paths, and their education backgrounds and teaching contexts may be very different in a simulation setting. Although they have a key role in facilitating learning, information on the continuing professional development (pedagogical development) of simulation educators is not available in the literature. Objectives To explore changes in experienced simulation educators’ perceptions of their own teaching skills, practices, and understanding of teaching over time. Methods A qualitative exploratory study. Fourteen experienced simulation educators participated in individual open-ended interviews focusing on their development as simulation educators. Data were analyzed using an inductive thematic analysis. Results Marked educator development was discerned over time, expressed mainly in an altered way of thinking and acting. Five themes were identified: shifting focus, from following to utilizing a structure, setting goals, application of technology, and alignment with profession. Being confident in the role as an instructor seemed to constitute a foundation for the instructor’s pedagogical development. Conclusion Experienced simulation educators’ pedagogical development was based on self-confidence in the educator role, and not on a deeper theoretical understanding of teaching and learning. This is the first clue to gain increased understanding regarding educational level and possible education needs among simulation educators, and it might generate several lines of research for further studies. PMID:28176931

Simulation studies of the application of SEASAT data in weather and state of sea forecasting models

NASA Technical Reports Server (NTRS)

Cardone, V. J.; Greenwood, J. A.

1979-01-01

The design and analysis of SEASAT simulation studies in which the error structure of conventional analyses and forecasts is modeled realistically are presented. The development and computer implementation of a global spectral ocean wave model is described. The design of algorithms for the assimilation of theoretical wind data into computers and for the utilization of real wind data and wave height data in a coupled computer system are presented.

Numerical Analysis of Deflections of Multi-Layered Beams

NASA Astrophysics Data System (ADS)

Biliński, Tadeusz; Socha, Tomasz

2015-03-01

The paper concerns the rheological bending problem of wooden beams reinforced with embedded composite bars. A theoretical model of the behaviour of a multi-layered beam is presented. The component materials of this beam are described with equations for the linear viscoelastic five-parameter rheological model. Two numerical analysis methods for the long-term response of wood structures are presented. The first method has been developed with SCILAB software. The second one has been developed with the finite element calculation software ABAQUS and user subroutine UMAT. Laboratory investigations were conducted on sample beams of natural dimensions in order to validate the proposed theoretical model and verify numerical simulations. Good agreement between experimental measurements and numerical results is observed.

Free space optical ultra-wideband communications over atmospheric turbulence channels.

PubMed

Davaslioğlu, Kemal; Cağiral, Erman; Koca, Mutlu

2010-08-02

A hybrid impulse radio ultra-wideband (IR-UWB) communication system in which UWB pulses are transmitted over long distances through free space optical (FSO) links is proposed. FSO channels are characterized by random fluctuations in the received light intensity mainly due to the atmospheric turbulence. For this reason, theoretical detection error probability analysis is presented for the proposed system for a time-hopping pulse-position modulated (TH-PPM) UWB signal model under weak, moderate and strong turbulence conditions. For the optical system output distributed over radio frequency UWB channels, composite error analysis is also presented. The theoretical derivations are verified via simulation results, which indicate a computationally and spectrally efficient UWB-over-FSO system.

Impact of Offshore Wind Power Integrated by VSC-HVDC on Power Angle Stability of Power Systems

NASA Astrophysics Data System (ADS)

Lu, Haiyang; Tang, Xisheng

2017-05-01

Offshore wind farm connected to grid by VSC-HVDC loses frequency support for power system, so adding frequency control in wind farm and VSC-HVDC system is an effective measure, but it will change wind farm VSC-HVDC’s transient stability on power system. Through theoretical analysis, concluding the relationship between equivalent mechanical power and electromagnetic power of two-machine system with the active power of wind farm VSC-HVDC, then analyzing the impact of wind farm VSC-HVDC with or without frequency control and different frequency control parameters on angle stability of synchronous machine by EEAC. The validity of theoretical analysis has been demonstrated through simulation in PSCAD/EMTDC.

A novel frequency tuned wireless actuator with snake-like motion

NASA Astrophysics Data System (ADS)

Zhang, Kewei; Zhu, Qianke; Chai, Yuesheng

2016-07-01

In this work, we propose a novel wireless actuator which is composed of magnetostrictive material/copper bi-layer film. The actuator can be controlled to move like a snake bi-directionally along a pipe by tuning the frequency of external magnetic field near its first order resonant frequency. The governing equation for the actuator is established and the vibration mode shape function is derived. Theoretical analysis shows that motion of the actuator is achieved by asymmetric vibration mode shape, specific vibration bending deformation, and effective net total impacting force. The simulation and experimental results well confirm the theoretical analysis. This work provides contribution to the development of wireless micro robots and autonomous magnetostrictive sensors.

Improved pulse laser ranging algorithm based on high speed sampling

NASA Astrophysics Data System (ADS)

Gao, Xuan-yi; Qian, Rui-hai; Zhang, Yan-mei; Li, Huan; Guo, Hai-chao; He, Shi-jie; Guo, Xiao-kang

2016-10-01

Narrow pulse laser ranging achieves long-range target detection using laser pulse with low divergent beams. Pulse laser ranging is widely used in military, industrial, civil, engineering and transportation field. In this paper, an improved narrow pulse laser ranging algorithm is studied based on the high speed sampling. Firstly, theoretical simulation models have been built and analyzed including the laser emission and pulse laser ranging algorithm. An improved pulse ranging algorithm is developed. This new algorithm combines the matched filter algorithm and the constant fraction discrimination (CFD) algorithm. After the algorithm simulation, a laser ranging hardware system is set up to implement the improved algorithm. The laser ranging hardware system includes a laser diode, a laser detector and a high sample rate data logging circuit. Subsequently, using Verilog HDL language, the improved algorithm is implemented in the FPGA chip based on fusion of the matched filter algorithm and the CFD algorithm. Finally, the laser ranging experiment is carried out to test the improved algorithm ranging performance comparing to the matched filter algorithm and the CFD algorithm using the laser ranging hardware system. The test analysis result demonstrates that the laser ranging hardware system realized the high speed processing and high speed sampling data transmission. The algorithm analysis result presents that the improved algorithm achieves 0.3m distance ranging precision. The improved algorithm analysis result meets the expected effect, which is consistent with the theoretical simulation.

Theoretical accuracy in cosmological growth estimation

NASA Astrophysics Data System (ADS)

Bose, Benjamin; Koyama, Kazuya; Hellwing, Wojciech A.; Zhao, Gong-Bo; Winther, Hans A.

2017-07-01

We elucidate the importance of the consistent treatment of gravity-model specific nonlinearities when estimating the growth of cosmological structures from redshift space distortions (RSD). Within the context of standard perturbation theory (SPT), we compare the predictions of two theoretical templates with redshift space data from COLA (comoving Lagrangian acceleration) simulations in the normal branch of DGP gravity (nDGP) and general relativity (GR). Using COLA for these comparisons is validated using a suite of full N-body simulations for the same theories. The two theoretical templates correspond to the standard general relativistic perturbation equations and those same equations modeled within nDGP. Gravitational clustering nonlinear effects are accounted for by modeling the power spectrum up to one-loop order and redshift space clustering anisotropy is modeled using the Taruya, Nishimichi and Saito (TNS) RSD model. Using this approach, we attempt to recover the simulation's fiducial logarithmic growth parameter f . By assigning the simulation data with errors representing an idealized survey with a volume of 10 Gpc3/h3 , we find the GR template is unable to recover fiducial f to within 1 σ at z =1 when we match the data up to kmax=0.195 h /Mpc . On the other hand, the DGP template recovers the fiducial value within 1 σ . Further, we conduct the same analysis for sets of mock data generated for generalized models of modified gravity using SPT, where again we analyze the GR template's ability to recover the fiducial value. We find that for models with enhanced gravitational nonlinearity, the theoretical bias of the GR template becomes significant for stage IV surveys. Thus, we show that for the future large data volume galaxy surveys, the self-consistent modeling of non-GR gravity scenarios will be crucial in constraining theory parameters.

Quantitative Evaluation of Performance in Interventional Neuroradiology: An Integrated Curriculum Featuring Theoretical and Practical Challenges.

PubMed

Ernst, Marielle; Kriston, Levente; Romero, Javier M; Frölich, Andreas M; Jansen, Olav; Fiehler, Jens; Buhk, Jan-Hendrik

2016-01-01

We sought to develop a standardized curriculum capable of assessing key competencies in Interventional Neuroradiology by the use of models and simulators in an objective, quantitative, and efficient way. In this evaluation we analyzed the associations between the practical experience, theoretical knowledge, and the skills lab performance of interventionalists. We evaluated the endovascular skills of 26 participants of the Advanced Course in Endovascular Interventional Neuroradiology of the European Society of Neuroradiology with a set of three tasks (aneurysm coiling and thrombectomy in a virtual simulator and placement of an intra-aneurysmal flow disruptor in a flow model). Practical experience was assessed by a survey. Participants completed a written and oral examination to evaluate theoretical knowledge. Bivariate and multivariate analyses were performed. In multivariate analysis knowledge of materials and techniques in Interventional Neuroradiology was moderately associated with skills in aneurysm coiling and thrombectomy. Experience in mechanical thrombectomy was moderately associated with thrombectomy skills, while age was negatively associated with thrombectomy skills. We found no significant association between age, sex, or work experience and skills in aneurysm coiling. Our study gives an example of how an integrated curriculum for reasonable and cost-effective assessment of key competences of an interventional neuroradiologist could look. In addition to traditional assessment of theoretical knowledge practical skills are measured by the use of endovascular simulators yielding objective, quantitative, and constructive data for the evaluation of the current performance status of participants as well as the evolution of their technical competency over time.

Versatile photonic microwave waveforms generation using a dual-parallel Mach-Zehnder modulator without other dispersive elements

NASA Astrophysics Data System (ADS)

Bai, Guang-Fu; Hu, Lin; Jiang, Yang; Tian, Jing; Zi, Yue-Jiao; Wu, Ting-Wei; Huang, Feng-Qin

2017-08-01

In this paper, a photonic microwave waveform generator based on a dual-parallel Mach-Zehnder modulator is proposed and experimentally demonstrated. In this reported scheme, only one radio frequency signal is used to drive the dual-parallel Mach-Zehnder modulator. Meanwhile, dispersive elements or filters are not required in the proposed scheme, which make the scheme simpler and more stable. In this way, six variables can be adjusted. Through the different combinations of these variables, basic waveforms with full duty and small duty cycle can be generated. Tunability of the generator can be achieved by adjusting the frequency of the RF signal and the optical carrier. The corresponding theoretical analysis and simulation have been conducted. With guidance of theory and simulation, proof-of-concept experiments are carried out. The basic waveforms, including Gaussian, saw-up, and saw-down waveforms, with full duty and small duty cycle are generated at the repetition rate of 2 GHz. The theoretical and simulation results agree with the experimental results very well.

Ten Years of Simulation in Healthcare: A Thematic Analysis of Editorials.

PubMed

Nestel, Debra

2017-10-01

In this commentary, I review 38 articles published as editorials in Simulation in Healthcare from inception to April 2016. Of the 27 authors, there was a predominance of medical doctors (63%), male authors (67%), and work originating in the United States (86%). The founding Editor-in-Chief Dr David Gaba contributed to half of the editorials. Using inductive thematic analysis, the following five themes were identified: "embedding" simulation, simulation responding to clinical practice, educational considerations for simulation, research practices, and communicating leadership and scholarship about the community. After thematic analysis, the theoretical notion of communities of practice was used to make further meaning of the themes. This theorizing process reveals that editorial content aligns with the features of an evolving community of practice. The editorials seem to have responded to and shaped contemporary simulation practices. The editorial is a powerful forum in which to frame issues relevant to the healthcare simulation community. As the founding Editor-in-Chief, Gaba has made an extraordinary contribution to the Society for Simulation in Healthcare, in these editorials and the broader healthcare simulation community. Under the leadership of the Editor-in-Chief, Dr Mark Scerbo, I am confident that the editorial voice will continue in the true spirit of scholarship.

Chaotic dynamics and thermodynamics of periodic systems with long-range forces

NASA Astrophysics Data System (ADS)

Kumar, Pankaj

Gravitational and electromagnetic interactions form the backbone of our theoretical understanding of the universe. While, in general, such interactions are analytically inexpressible for three-dimensional infinite systems, one-dimensional modeling allows one to treat the long-range forces exactly. Not only are one-dimensional systems of profound intrinsic interest, physicists often rely on one-dimensional models as a starting point in the analysis of their more complicated higher-dimensional counterparts. In the analysis of large systems considered in cosmology and plasma physics, periodic boundary conditions are a natural choice and have been utilized in the study of one dimensional Coulombic and gravitational systems. Such studies often employ numerical simulations to validate the theoretical predictions, and in cases where theoretical relations have not been mathematically formulated, numerical simulations serve as a powerful method in characterizing the system's physical properties. In this dissertation, analytic techniques are formulated to express the exact phase-space dynamics of spatially-periodic one-dimensional Coulombic and gravitational systems. Closed-form versions of the Hamiltonian and the electric field are derived for single-component and two-component Coulombic systems, placing the two on the same footing as the gravitational counterpart. Furthermore, it is demonstrated that a three-body variant of the spatially-periodic Coulombic or gravitational system may be reduced isomorphically to a periodic system of a single particle in a two-dimensional rhombic potential. The analytic results are utilized for developing and implementing efficient computational tools to study the dynamical and the thermodynamic properties of the systems without resorting to numerical approximations. Event-driven algorithms are devised to obtain Lyapunov spectra, radial distribution function, pressure, caloric curve, and Poincare surface of section through an N-body molecular-dynamics approach. The simulation results for the three-body systems show that the motion exhibits chaotic, quasiperiodic, and periodic behaviors in segmented regions of the phase space. The results for the large versions of the single-component and two-component Coulombic systems show no clear-cut indication of a phase transition. However, as predicted by the theoretical treatment, the simulated temperature dependencies of energy, pressure as well as Lyapunov exponent for the gravitational system indicate a phase transition and the critical temperature obtained in simulation agrees well with that from the theory.

A Theoretical Analysis of a New Polarimetric Optical Scheme for Glucose Sensing in the Human Eye

NASA Technical Reports Server (NTRS)

Rovati, Luigi L.; Boeckle, Stefan; Ansari, Rafat R.; Salzman, Jack A. (Technical Monitor)

2002-01-01

The challenging task of in vivo polarimetric glucose sensing is the identification and selection of a scheme to optically access the aqueous humor of the human eye. In this short communication an earlier approach of Cote et al. is theoretically compared with our new optical scheme. Simulations of the new scheme using the eye model of Navarro, suggest that the new optical geometry can overcome the limitations of the previous approach for in vivo measurements of glucose in a human eye.

Theoretical, Experimental, and Computational Evaluation of Disk-Loaded Circular Wave Guides

NASA Technical Reports Server (NTRS)

Wallett, Thomas M.; Qureshi, A. Haq

1994-01-01

A disk-loaded circular wave guide structure and test fixture were fabricated. The dispersion characteristics were found by theoretical analysis, experimental testing, and computer simulation using the codes ARGUS and SOS. Interaction impedances were computed based on the corresponding dispersion characteristics. Finally, an equivalent circuit model for one period of the structure was chosen using equivalent circuit models for cylindrical wave guides of different radii. Optimum values for the discrete capacitors and inductors describing discontinuities between cylindrical wave guides were found using the computer code TOUCHSTONE.

Toward Theory-Based Instruction in Scientific Problem Solving.

ERIC Educational Resources Information Center

Heller, Joan I.; And Others

Several empirical and theoretical analyses related to scientific problem-solving are reviewed, including: detailed studies of individuals at different levels of expertise, and computer models simulating some aspects of human information processing during problem solving. Analysis of these studies has revealed many facets about the nature of the…

Release the Prisoners Game

ERIC Educational Resources Information Center

Van Hecke, Tanja

2011-01-01

This article presents the mathematical approach of the optimal strategy to win the "Release the prisoners" game and the integration of this analysis in a math class. Outline lesson plans at three different levels are given, where simulations are suggested as well as theoretical findings about the probability distribution function and its mean…

Comparative analysis of numerical simulation techniques for incoherent imaging of extended objects through atmospheric turbulence

NASA Astrophysics Data System (ADS)

Lachinova, Svetlana L.; Vorontsov, Mikhail A.; Filimonov, Grigory A.; LeMaster, Daniel A.; Trippel, Matthew E.

2017-07-01

Computational efficiency and accuracy of wave-optics-based Monte-Carlo and brightness function numerical simulation techniques for incoherent imaging of extended objects through atmospheric turbulence are evaluated. Simulation results are compared with theoretical estimates based on known analytical solutions for the modulation transfer function of an imaging system and the long-exposure image of a Gaussian-shaped incoherent light source. It is shown that the accuracy of both techniques is comparable over the wide range of path lengths and atmospheric turbulence conditions, whereas the brightness function technique is advantageous in terms of the computational speed.

Spectrum analysis of radar life signal in the three kinds of theoretical models

NASA Astrophysics Data System (ADS)

Yang, X. F.; Ma, J. F.; Wang, D.

2017-02-01

In the single frequency continuous wave radar life detection system, based on the Doppler effect, the theory model of radar life signal is expressed by the real function, and there is a phenomenon that can't be confirmed by the experiment. When the phase generated by the distance between the measured object and the radar measuring head is л of integer times, the main frequency spectrum of life signal (respiration and heartbeat) is not existed in radar life signal. If this phase is л/2 of odd times, the main frequency spectrum of breath and heartbeat frequency is the strongest. In this paper, we use the Doppler effect as the basic theory, using three different mathematical expressions——real function, complex exponential function and Bessel's function expansion form. They are used to establish the theoretical model of radar life signal. Simulation analysis revealed that the Bessel expansion form theoretical model solve the problem of real function form. Compared with the theoretical model of the complex exponential function, the derived spectral line is greatly reduced in the theoretical model of Bessel expansion form, which is more consistent with the actual situation.

Micro-Mechanical Analysis About Kink Band in Carbon Fiber/Epoxy Composites Under Longitudinal Compression

NASA Astrophysics Data System (ADS)

Zhang, Mi; Guan, Zhidong; Wang, Xiaodong; Du, Shanyi

2017-10-01

Kink band is a typical phenomenon for composites under longitudinal compression. In this paper, theoretical analysis and finite element simulation were conducted to analyze kink angle as well as compressive strength of composites. Kink angle was considered to be an important character throughout longitudinal compression process. Three factors including plastic matrix, initial fiber misalignment and rotation due to loading were considered for theoretical analysis. Besides, the relationship between kink angle and fiber volume fraction was improved and optimized by theoretical derivation. In addition, finite element models considering fiber stochastic strength and Drucker-Prager constitutive model for matrix were conducted in ABAQUS to analyze kink band formation process, which corresponded with the experimental results. Through simulation, the loading and failure procedure can be evidently divided into three stages: elastic stage, softening stage, and fiber break stage. It also shows that kink band is a result of fiber misalignment and plastic matrix. Different values of initial fiber misalignment angle, wavelength and fiber volume fraction were considered to explore the effects on compressive strength and kink angle. Results show that compressive strength increases with the decreasing of initial fiber misalignment angle, the decreasing of initial fiber misalignment wavelength and the increasing of fiber volume fraction, while kink angle decreases in these situations. Orthogonal array in statistics was also built to distinguish the effect degree of these factors. It indicates that initial fiber misalignment angle has the largest impact on compressive strength and kink angle.

Finite time step and spatial grid effects in δf simulation of warm plasmas

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

Sturdevant, Benjamin J., E-mail: benjamin.j.sturdevant@gmail.com; Department of Applied Mathematics, University of Colorado at Boulder, Boulder, CO 80309; Parker, Scott E.

2016-01-15

This paper introduces a technique for analyzing time integration methods used with the particle weight equations in δf method particle-in-cell (PIC) schemes. The analysis applies to the simulation of warm, uniform, periodic or infinite plasmas in the linear regime and considers the collective behavior similar to the analysis performed by Langdon for full-f PIC schemes [1,2]. We perform both a time integration analysis and spatial grid analysis for a kinetic ion, adiabatic electron model of ion acoustic waves. An implicit time integration scheme is studied in detail for δf simulations using our weight equation analysis and for full-f simulations usingmore » the method of Langdon. It is found that the δf method exhibits a CFL-like stability condition for low temperature ions, which is independent of the parameter characterizing the implicitness of the scheme. The accuracy of the real frequency and damping rate due to the discrete time and spatial schemes is also derived using a perturbative method. The theoretical analysis of numerical error presented here may be useful for the verification of simulations and for providing intuition for the design of new implicit time integration schemes for the δf method, as well as understanding differences between δf and full-f approaches to plasma simulation.« less

On the simulation and mitigation of anisoplanatic optical turbulence for long range imaging

NASA Astrophysics Data System (ADS)

Hardie, Russell C.; LeMaster, Daniel A.

2017-05-01

We describe a numerical wave propagation method for simulating long range imaging of an extended scene under anisoplanatic conditions. Our approach computes an array of point spread functions (PSFs) for a 2D grid on the object plane. The PSFs are then used in a spatially varying weighted sum operation, with an ideal image, to produce a simulated image with realistic optical turbulence degradation. To validate the simulation we compare simulated outputs with the theoretical anisoplanatic tilt correlation and differential tilt variance. This is in addition to comparing the long- and short-exposure PSFs, and isoplanatic angle. Our validation analysis shows an excellent match between the simulation statistics and the theoretical predictions. The simulation tool is also used here to quantitatively evaluate a recently proposed block- matching and Wiener filtering (BMWF) method for turbulence mitigation. In this method block-matching registration algorithm is used to provide geometric correction for each of the individual input frames. The registered frames are then averaged and processed with a Wiener filter for restoration. A novel aspect of the proposed BMWF method is that the PSF model used for restoration takes into account the level of geometric correction achieved during image registration. This way, the Wiener filter is able fully exploit the reduced blurring achieved by registration. The BMWF method is relatively simple computationally, and yet, has excellent performance in comparison to state-of-the-art benchmark methods.

War and Peace in International Relations Theory: A Classroom Simulation

ERIC Educational Resources Information Center

Sears, Nathan Alexander

2018-01-01

Simulations are increasingly common pedagogical tools in political science and international relations courses. This article develops a classroom simulation that aims to facilitate students' theoretical understanding of the topic of war and peace in international relations, and accomplishes this by incorporating important theoretical concepts…

Towards a Theoretical Framework for Educational Simulations.

ERIC Educational Resources Information Center

Winer, Laura R.; Vazquez-Abad, Jesus

1981-01-01

Discusses the need for a sustained and systematic effort toward establishing a theoretical framework for educational simulations, proposes the adaptation of models borrowed from the natural and applied sciences, and describes three simulations based on such a model adapted using Brunerian learning theory. Sixteen references are listed. (LLS)

MATLAB Simulation of Gradient-Based Neural Network for Online Matrix Inversion

NASA Astrophysics Data System (ADS)

Zhang, Yunong; Chen, Ke; Ma, Weimu; Li, Xiao-Dong

This paper investigates the simulation of a gradient-based recurrent neural network for online solution of the matrix-inverse problem. Several important techniques are employed as follows to simulate such a neural system. 1) Kronecker product of matrices is introduced to transform a matrix-differential-equation (MDE) to a vector-differential-equation (VDE); i.e., finally, a standard ordinary-differential-equation (ODE) is obtained. 2) MATLAB routine "ode45" is introduced to solve the transformed initial-value ODE problem. 3) In addition to various implementation errors, different kinds of activation functions are simulated to show the characteristics of such a neural network. Simulation results substantiate the theoretical analysis and efficacy of the gradient-based neural network for online constant matrix inversion.

Theoretical Grounds for the Propagation of Uncertainties in Monte Carlo Particle Transport

NASA Astrophysics Data System (ADS)

Saracco, Paolo; Pia, Maria Grazia; Batic, Matej

2014-04-01

We introduce a theoretical framework for the calculation of uncertainties affecting observables produced by Monte Carlo particle transport, which derive from uncertainties in physical parameters input into simulation. The theoretical developments are complemented by a heuristic application, which illustrates the method of calculation in a streamlined simulation environment.

A systems analysis of the erythropoietic responses to weightlessness. Volume 1: Mathematical model simulations of the erythropoietic responses to weightlessness

NASA Technical Reports Server (NTRS)

Leonard, J. I.

1985-01-01

Theoretical responses to weightlessness are summarized. The studies include development and validation of a model of erythropoiesis regulation, analysis of the behavior of erythropoiesis under a variety of conditions, simulations of bed rest and space flight, and an evaluation of ground-based animal studies which were conducted as analogs of zero-g. A review of all relevant space flight findings and a set of testable hypotheses which attempt to explain how red cell mass decreases in space flight are presented. An additional document describes details of the mathematical model used in these studies.

Renormalization group analysis of anisotropic diffusion in turbulent shear flows

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Barton, J. Michael

1991-01-01

The renormalization group is applied to compute anisotropic corrections to the scalar eddy diffusivity representation of turbulent diffusion of a passive scalar. The corrections are linear in the mean velocity gradients. All model constants are computed theoretically. A form of the theory valid at arbitrary Reynolds number is derived. The theory applies only when convection of the velocity-scalar correlation can be neglected. A ratio of diffusivity components, found experimentally to have a nearly constant value in a variety of shear flows, is computed theoretically for flows in a certain state of equilibrium. The theoretical value is well within the fairly narrow range of experimentally observed values. Theoretical predictions of this diffusivity ratio are also compared with data from experiments and direct numerical simulations of homogeneous shear flows with constant velocity and scalar gradients.

Vibrational, spectroscopic, molecular docking and density functional theory studies on N-(5-aminopyridin-2-yl)acetamide

NASA Astrophysics Data System (ADS)

Asath, R. Mohamed; Rekha, T. N.; Premkumar, S.; Mathavan, T.; Benial, A. Milton Franklin

2016-12-01

Conformational analysis was carried out for N-(5-aminopyridin-2-yl)acetamide (APA) molecule. The most stable, optimized structure was predicted by the density functional theory calculations using the B3LYP functional with cc-pVQZ basis set. The optimized structural parameters and vibrational frequencies were calculated. The experimental and theoretical vibrational frequencies were assigned and compared. Ultraviolet-visible spectrum was simulated and validated experimentally. The molecular electrostatic potential surface was simulated. Frontier molecular orbitals and related molecular properties were computed, which reveals that the higher molecular reactivity and stability of the APA molecule and further density of states spectrum was simulated. The natural bond orbital analysis was also performed to confirm the bioactivity of the APA molecule. Antidiabetic activity was studied based on the molecular docking analysis and the APA molecule was identified that it can act as a good inhibitor against diabetic nephropathy.

Domain of validity of the perturbative approach to femtosecond optical spectroscopy

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

Gelin, Maxim F.; Rao, B. Jayachander; Nest, Mathias

2013-12-14

We have performed numerical nonperturbative simulations of transient absorption pump-probe responses for a series of molecular model systems. The resulting signals as a function of the laser field strength and the pump-probe delay time are compared with those obtained in the perturbative response function formalism. The simulations and their theoretical analysis indicate that the perturbative description remains valid up to moderately strong laser pulses, corresponding to a rather substantial depopulation (population) of the initial (final) electronic states.

Position resolution simulations for the inverted-coaxial germanium detector, SIGMA

NASA Astrophysics Data System (ADS)

Wright, J. P.; Harkness-Brennan, L. J.; Boston, A. J.; Judson, D. S.; Labiche, M.; Nolan, P. J.; Page, R. D.; Pearce, F.; Radford, D. C.; Simpson, J.; Unsworth, C.

2018-06-01

The SIGMA Germanium detector has the potential to revolutionise γ-ray spectroscopy, providing superior energy and position resolving capabilities compared with current large volume state-of-the-art Germanium detectors. The theoretical position resolution of the detector as a function of γ-ray interaction position has been studied using simulated detector signals. A study of the effects of RMS noise at various energies has been presented with the position resolution ranging from 0.33 mm FWHM at Eγ = 1 MeV, to 0.41 mm at Eγ = 150 keV. An additional investigation into the effects pulse alignment have on pulse shape analysis and in turn, position resolution has been performed. The theoretical performance of SIGMA operating in an experimental setting is presented for use as a standalone detector and as part of an ancillary system.

A computational modeling of semantic knowledge in reading comprehension: Integrating the landscape model with latent semantic analysis.

PubMed

Yeari, Menahem; van den Broek, Paul

2016-09-01

It is a well-accepted view that the prior semantic (general) knowledge that readers possess plays a central role in reading comprehension. Nevertheless, computational models of reading comprehension have not integrated the simulation of semantic knowledge and online comprehension processes under a unified mathematical algorithm. The present article introduces a computational model that integrates the landscape model of comprehension processes with latent semantic analysis representation of semantic knowledge. In three sets of simulations of previous behavioral findings, the integrated model successfully simulated the activation and attenuation of predictive and bridging inferences during reading, as well as centrality estimations and recall of textual information after reading. Analyses of the computational results revealed new theoretical insights regarding the underlying mechanisms of the various comprehension phenomena.

Theoretical Studies on InGaAs/InAlAs SAGCM Avalanche Photodiodes

NASA Astrophysics Data System (ADS)

Cao, Siyu; Zhao, Yue; ur Rehman, Sajid; Feng, Shuai; Zuo, Yuhua; Li, Chuanbo; Zhang, Lichun; Cheng, Buwen; Wang, Qiming

2018-05-01

In this paper, we provide a detailed insight on InGaAs/InAlAs separate absorption, grading, charge, and multiplication avalanche photodiodes (SAGCM APDs) and a theoretical model of APDs is built. Through theoretical analysis and two-dimensional (2D) simulation, the influence of charge layer and tunneling effect on the APDs is fully understood. The design of charge layer (including doping level and thickness) can be calculated by our predictive model for different multiplication thickness. We find that as the thickness of charge layer increases, the suitable doping level range in charge layer decreases. Compared to thinner charge layer, performance of APD varies significantly via several percent deviations of doping concentrations in thicker charge layer. Moreover, the generation rate ( G btt ) of band-to-band tunnel is calculated, and the influence of tunneling effect on avalanche field was analyzed. We confirm that avalanche field and multiplication factor ( M n ) in multiplication will decrease by the tunneling effect. The theoretical model and analysis are based on InGaAs/InAlAs APD; however, they are applicable to other APD material systems as well.

Theoretical and computational foundations of management class simulation

Treesearch

Denie Gerold

1978-01-01

Investigations on complicated, complex, and not well-ordered systems are possible only with the aid of mathematical methods and electronic data processing. Simulation as a method of operations research is particularly suitable for this purpose. Theoretical and computational foundations of management class simulation must be integrated into the planning systems of...

Inner surface flash-over of insulator of low-inductance high-voltage self-breakdown gas switch and its application

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

Zhang, Hong-bo, E-mail: walkman67@163.com; Liu, Jin-liang

2014-04-15

In this paper, the inner surface flash-over of high-voltage self-breakdown switch, which is used as a main switch of pulse modulator, is analyzed in theory by employing the method of distributed element equivalent circuit. Moreover, the field distortion of the switch is simulated by using software. The results of theoretical analysis and simulation by software show that the inner surface flash-over usually starts at the junction points among the stainless steel, insulator, and insulation gas in the switch. A switch with improved structure is designed and fabricated according to the theoretical analysis and simulation results. Several methods to avoid innermore » surface flash-over are used to improve the structure of switch. In experiment, the inductance of the switch is no more than 100 nH, the working voltage of the switch is about 600 kV, and the output voltage and current of the accelerator is about 500 kV and 50 kA, respectively. And the zero-to-peak rise time of output voltage at matched load is less than 30 ns due to the small inductance of switch. The original switch was broken-down after dozens of experiments, and the improved switch has been worked more than 200 times stably.« less

Improving the analysis of near-spectroscopy data with multivariate classification of hemodynamic patterns: a theoretical formulation and validation.

PubMed

Gemignani, Jessica; Middell, Eike; Barbour, Randall L; Graber, Harry L; Blankertz, Benjamin

2018-04-04

The statistical analysis of functional near infrared spectroscopy (fNIRS) data based on the general linear model (GLM) is often made difficult by serial correlations, high inter-subject variability of the hemodynamic response, and the presence of motion artifacts. In this work we propose to extract information on the pattern of hemodynamic activations without using any a priori model for the data, by classifying the channels as 'active' or 'not active' with a multivariate classifier based on linear discriminant analysis (LDA). This work is developed in two steps. First we compared the performance of the two analyses, using a synthetic approach in which simulated hemodynamic activations were combined with either simulated or real resting-state fNIRS data. This procedure allowed for exact quantification of the classification accuracies of GLM and LDA. In the case of real resting-state data, the correlations between classification accuracy and demographic characteristics were investigated by means of a Linear Mixed Model. In the second step, to further characterize the reliability of the newly proposed analysis method, we conducted an experiment in which participants had to perform a simple motor task and data were analyzed with the LDA-based classifier as well as with the standard GLM analysis. The results of the simulation study show that the LDA-based method achieves higher classification accuracies than the GLM analysis, and that the LDA results are more uniform across different subjects and, in contrast to the accuracies achieved by the GLM analysis, have no significant correlations with any of the demographic characteristics. Findings from the real-data experiment are consistent with the results of the real-plus-simulation study, in that the GLM-analysis results show greater inter-subject variability than do the corresponding LDA results. The results obtained suggest that the outcome of GLM analysis is highly vulnerable to violations of theoretical assumptions, and that therefore a data-driven approach such as that provided by the proposed LDA-based method is to be favored.

Nonlinear model analysis of all-optical flip-flop and inverter operations of microring laser

NASA Astrophysics Data System (ADS)

Kobayashi, Naoki; Kawamura, Yusaku; Aoki, Ryosuke; Kokubun, Yasuo

2018-03-01

We explore a theoretical model of bistability at two adjacent lasing wavelengths from an InGaAs/InGaAsP multiple quantum well (MQW) microring laser. We show that nonlinear effects on the phase and amplitude play significant roles in the lasing operations of the microring laser. Numerical simulations indicate that all-optical flip-flop operations and inverter operations can be observed within the same device by controlling the injection current. The validity of our analysis is confirmed by a comparison of the results for numerical simulations with experimental results of the lasing spectrum. We believe that the analysis presented in this paper will be useful for the future design of all-optical signal processing devices.

Super-convergence of Discontinuous Galerkin Method Applied to the Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Atkins, Harold L.

2009-01-01

The practical benefits of the hyper-accuracy properties of the discontinuous Galerkin method are examined. In particular, we demonstrate that some flow attributes exhibit super-convergence even in the absence of any post-processing technique. Theoretical analysis suggest that flow features that are dominated by global propagation speeds and decay or growth rates should be super-convergent. Several discrete forms of the discontinuous Galerkin method are applied to the simulation of unsteady viscous flow over a two-dimensional cylinder. Convergence of the period of the naturally occurring oscillation is examined and shown to converge at 2p+1, where p is the polynomial degree of the discontinuous Galerkin basis. Comparisons are made between the different discretizations and with theoretical analysis.

Parallel-Connected Photovoltaic Inverters: Zero Frequency Sequence Harmonic Analysis and Solution

NASA Astrophysics Data System (ADS)

Carmeli, Maria Stefania; Mauri, Marco; Frosio, Luisa; Bezzolato, Alberto; Marchegiani, Gabriele

2013-05-01

High-power photovoltaic (PV) plants are usually constituted of the connection of different PV subfields, each of them with its interface transformer. Different solutions have been studied to improve the efficiency of the whole generation system. In particular, transformerless configurations are the more attractive one from efficiency and costs point of view. This paper focuses on transformerless PV configurations characterised by the parallel connection of interface inverters. The problem of zero sequence current due to both the parallel connection and the presence of undesirable parasitic earth capacitances is considered and a solution, which consists of the synchronisation of pulse-width modulation triangular carrier, is proposed and theoretically analysed. The theoretical analysis has been validated through simulation and experimental results.

Hydrodynamics Analysis and CFD Simulation of Portal Venous System by TIPS and LS.

PubMed

Wang, Meng; Zhou, Hongyu; Huang, Yaozhen; Gong, Piyun; Peng, Bing; Zhou, Shichun

2015-06-01

In cirrhotic patients, portal hypertension is often associated with a hyperdynamic changes. Transjugular Intrahepatic Portosystemic Shunt (TIPS) and Laparoscopic splenectomy are both treatments for liver cirrhosis due to portal hypertension. While, the two different interventions have different effects on hemodynamics after operation and the possibilities of triggering PVT are different. How hemodynamics of portal vein system evolving with two different operations remain unknown. Based on ultrasound and established numerical methods, CFD technique is applied to analyze hemodynamic changes after TIPS and Laparoscopic splenectomy. In this paper, we applied two 3-D flow models to the hemodynamic analysis for two patients who received a TIPS and a laparoscopic splenectomy, both therapies for treating portal hypertension induced diseases. The current computer simulations give a quantitative analysis of the interplay between hemodynamics and TIPS or splenectomy. In conclusion, the presented computational model can be used for the theoretical analysis of TIPS and laparoscopic splenectomy, clinical decisions could be made based on the simulation results with personal properly treatment.

Using a Systematic Approach to Develop a Chemistry Course Introducing Students to Instrumental Analysis

ERIC Educational Resources Information Center

Shen, Hao-Yu; Shen, Bo; Hardacre, Christopher

2013-01-01

A systematic approach to develop the teaching of instrumental analytical chemistry is discussed, as well as a conceptual framework for organizing and executing lectures and a laboratory course. Three main components are used in this course: theoretical knowledge developed in the classroom, simulations via a virtual laboratory, and practical…

Data Mining in Earth System Science (DMESS 2011)

Treesearch

Forrest M. Hoffman; J. Walter Larson; Richard Tran Mills; Bhorn-Gustaf Brooks; Auroop R. Ganguly; William Hargrove; et al

2011-01-01

From field-scale measurements to global climate simulations and remote sensing, the growing body of very large and long time series Earth science data are increasingly difficult to analyze, visualize, and interpret. Data mining, information theoretic, and machine learning techniques—such as cluster analysis, singular value decomposition, block entropy, Fourier and...

Analysis and iterative equalization of transient and adiabatic chirp effects in DML-based OFDM transmission systems.

PubMed

Wei, Chia-Chien

2012-11-05

This work theoretically studies the transmission performance of a DML-based OFDM system by small-signal approximation, and the model considers both the transient and adiabatic chirps. The dispersion-induced distortion is modeled as subcarrier-to-subcarrier intermixing interference (SSII), and the theoretical SSII agrees with the distortion obtained from large-signal simulation statistically and deterministically. The analysis shows that the presence of the adiabatic chirp will ease power fading or even provide gain, but will increase the SSII to deteriorate OFDM signals after dispersive transmission. Furthermore, this work also proposes a novel iterative equalization to eliminate the SSII. From the simulation, the distortion could be effectively mitigated by the proposed equalization such that the maximum transmission distance of the DML-based OFDM signal is significantly improved. For instance, the transmission distance of a 30-Gbps DML-based OFDM signal can be extended from 10 km to more than 100 km. Besides, since the dispersion-induced distortion could be effectively mitigated by the equalization, negative power penalties are observed at some distances due to chirp-induced power gain.

Static voltage distribution between turns of secondary winding of air-core spiral strip transformer and its application

NASA Astrophysics Data System (ADS)

Zhang, Hong-bo; Liu, Jin-liang; Cheng, Xin-bing; Zhang, Yu

2011-09-01

The static voltage distribution between winding turns has great impact on output characteristics and lifetime of the air-core spiral strip pulse transformer (ACSSPT). In this paper, winding inductance was calculated by electromagnetic theory, so that the static voltage distribution between turns of secondary winding of ACSSPT was analyzed conveniently. According to theoretical analysis, a voltage gradient because of the turn-to-turn capacitance was clearly noticeable across the ground turns. Simulation results of Pspice and CST EM Studio codes showed that the voltage distribution between turns of secondary winding had linear increments from the output turn to the ground turn. In experiment, the difference in increased voltage between the ground turns and the output turns of a 20-turns secondary winding is almost 50%, which is believed to be responsible for premature breakdown of the insulation, particularly between the ground turns. The experimental results demonstrated the theoretical analysis and simulation results, which had important value for stable and long lifetime ACSSPT design. A new ACSSPT with improved structure has been used successfully in intense electron beam accelerators steadily.

A new procedure for investigating three-dimensional stress fields in a thin plate with a through-the-thickness crack

NASA Astrophysics Data System (ADS)

Yi, Dake; Wang, TzuChiang

2018-06-01

In the paper, a new procedure is proposed to investigate three-dimensional fracture problems of a thin elastic plate with a long through-the-thickness crack under remote uniform tensile loading. The new procedure includes a new analytical method and high accurate finite element simulations. In the part of theoretical analysis, three-dimensional Maxwell stress functions are employed in order to derive three-dimensional crack tip fields. Based on the theoretical analysis, an equation which can describe the relationship among the three-dimensional J-integral J( z), the stress intensity factor K( z) and the tri-axial stress constraint level T z ( z) is derived first. In the part of finite element simulations, a fine mesh including 153360 elements is constructed to compute the stress field near the crack front, J( z) and T z ( z). Numerical results show that in the plane very close to the free surface, the K field solution is still valid for in-plane stresses. Comparison with the numerical results shows that the analytical results are valid.

Optimal spinneret layout in Von Koch curves of fractal theory based needleless electrospinning process

NASA Astrophysics Data System (ADS)

Yang, Wenxiu; Liu, Yanbo; Zhang, Ligai; Cao, Hong; Wang, Yang; Yao, Jinbo

2016-06-01

Needleless electrospinning technology is considered as a better avenue to produce nanofibrous materials at large scale, and electric field intensity and its distribution play an important role in controlling nanofiber diameter and quality of the nanofibrous web during electrospinning. In the current study, a novel needleless electrospinning method was proposed based on Von Koch curves of Fractal configuration, simulation and analysis on electric field intensity and distribution in the new electrospinning process were performed with Finite element analysis software, Comsol Multiphysics 4.4, based on linear and nonlinear Von Koch fractal curves (hereafter called fractal models). The result of simulation and analysis indicated that Second level fractal structure is the optimal linear electrospinning spinneret in terms of field intensity and uniformity. Further simulation and analysis showed that the circular type of Fractal spinneret has better field intensity and distribution compared to spiral type of Fractal spinneret in the nonlinear Fractal electrospinning technology. The electrospinning apparatus with the optimal Von Koch fractal spinneret was set up to verify the theoretical analysis results from Comsol simulation, achieving more uniform electric field distribution and lower energy cost, compared to the current needle and needleless electrospinning technologies.

Improved Statistics for Genome-Wide Interaction Analysis

PubMed Central

Ueki, Masao; Cordell, Heather J.

2012-01-01

Recently, Wu and colleagues [1] proposed two novel statistics for genome-wide interaction analysis using case/control or case-only data. In computer simulations, their proposed case/control statistic outperformed competing approaches, including the fast-epistasis option in PLINK and logistic regression analysis under the correct model; however, reasons for its superior performance were not fully explored. Here we investigate the theoretical properties and performance of Wu et al.'s proposed statistics and explain why, in some circumstances, they outperform competing approaches. Unfortunately, we find minor errors in the formulae for their statistics, resulting in tests that have higher than nominal type 1 error. We also find minor errors in PLINK's fast-epistasis and case-only statistics, although theory and simulations suggest that these errors have only negligible effect on type 1 error. We propose adjusted versions of all four statistics that, both theoretically and in computer simulations, maintain correct type 1 error rates under the null hypothesis. We also investigate statistics based on correlation coefficients that maintain similar control of type 1 error. Although designed to test specifically for interaction, we show that some of these previously-proposed statistics can, in fact, be sensitive to main effects at one or both loci, particularly in the presence of linkage disequilibrium. We propose two new “joint effects” statistics that, provided the disease is rare, are sensitive only to genuine interaction effects. In computer simulations we find, in most situations considered, that highest power is achieved by analysis under the correct genetic model. Such an analysis is unachievable in practice, as we do not know this model. However, generally high power over a wide range of scenarios is exhibited by our joint effects and adjusted Wu statistics. We recommend use of these alternative or adjusted statistics and urge caution when using Wu et al.'s originally-proposed statistics, on account of the inflated error rate that can result. PMID:22496670

Simulation study on characteristics of long-range interaction in randomly asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Zhao, Shi-Bo; Liu, Ming-Zhe; Yang, Lan-Ying

2015-04-01

In this paper we investigate the dynamics of an asymmetric exclusion process on a one-dimensional lattice with long-range hopping and random update via Monte Carlo simulations theoretically. Particles in the model will firstly try to hop over successive unoccupied sites with a probability q, which is different from previous exclusion process models. The probability q may represent the random access of particles. Numerical simulations for stationary particle currents, density profiles, and phase diagrams are obtained. There are three possible stationary phases: the low density (LD) phase, high density (HD) phase, and maximal current (MC) in the system, respectively. Interestingly, bulk density in the LD phase tends to zero, while the MC phase is governed by α, β, and q. The HD phase is nearly the same as the normal TASEP, determined by exit rate β. Theoretical analysis is in good agreement with simulation results. The proposed model may provide a better understanding of random interaction dynamics in complex systems. Project supported by the National Natural Science Foundation of China (Grant Nos. 41274109 and 11104022), the Fund for Sichuan Youth Science and Technology Innovation Research Team (Grant No. 2011JTD0013), and the Creative Team Program of Chengdu University of Technology.

Study for the dispersion of double-diffraction spectrometers

NASA Astrophysics Data System (ADS)

Pang, Yajun; Zhang, Yinxin; Yang, Huaidong; Huang, Zhanhua; Xu, Mingming; Jin, Guofan

2018-01-01

Double-cascade spectrometers and double-pass spectrometers can be uniformly called double-diffraction spectrometers. In current double-diffraction spectrometers design theory, the differences of the incident angles in the second diffraction are ignored. There is a significant difference between the design in theory and the actual result. In this study, based on the geometries of the double-diffraction spectrometers, we strictly derived the theoretical formulas of their dispersion. By employing the ZEMAX simulation software, verification of our theoretical model is implemented, and the simulation results show big agreement with our theoretical formulas. Based on the conclusions, a double-pass spectrometer was set up and tested, and the experiment results agree with the theoretical model and the simulation.

Analysis of mixed model in gear transmission based on ADAMS

NASA Astrophysics Data System (ADS)

Li, Xiufeng; Wang, Yabin

2012-09-01

The traditional method of mechanical gear driving simulation includes gear pair method and solid to solid contact method. The former has higher solving efficiency but lower results accuracy; the latter usually obtains higher precision of results while the calculation process is complex, also it is not easy to converge. Currently, most of the researches are focused on the description of geometric models and the definition of boundary conditions. However, none of them can solve the problems fundamentally. To improve the simulation efficiency while ensure the results with high accuracy, a mixed model method which uses gear tooth profiles to take the place of the solid gear to simulate gear movement is presented under these circumstances. In the process of modeling, build the solid models of the mechanism in the SolidWorks firstly; Then collect the point coordinates of outline curves of the gear using SolidWorks API and create fit curves in Adams based on the point coordinates; Next, adjust the position of those fitting curves according to the position of the contact area; Finally, define the loading conditions, boundary conditions and simulation parameters. The method provides gear shape information by tooth profile curves; simulates the mesh process through tooth profile curve to curve contact and offer mass as well as inertia data via solid gear models. This simulation process combines the two models to complete the gear driving analysis. In order to verify the validity of the method presented, both theoretical derivation and numerical simulation on a runaway escapement are conducted. The results show that the computational efficiency of the mixed model method is 1.4 times over the traditional method which contains solid to solid contact. Meanwhile, the simulation results are more closely to theoretical calculations. Consequently, mixed model method has a high application value regarding to the study of the dynamics of gear mechanism.

Cross-Milieu Terrorist Collaboration: Using Game Theory to Assess the Risk of a Novel Threat.

PubMed

Ackerman, Gary A; Zhuang, Jun; Weerasuriya, Sitara

2017-02-01

This article uses a game-theoretic approach to analyze the risk of cross-milieu terrorist collaboration-the possibility that, despite marked ideological differences, extremist groups from very different milieus might align to a degree where operational collaboration against Western societies becomes possible. Based upon theoretical insights drawn from a variety of literatures, a bargaining model is constructed that reflects the various benefits and costs for terrorists' collaboration across ideological milieus. Analyzed in both sequential and simultaneous decision-making contexts and through numerical simulations, the model confirms several theoretical arguments. The most important of these is that although likely to be quite rare, successful collaboration across terrorist milieus is indeed feasible in certain circumstances. The model also highlights several structural elements that might play a larger role than previously recognized in the collaboration decision, including that the prospect of nonmaterial gains (amplification of terror and reputational boost) plays at least as important a role in the decision to collaborate as potential increased capabilities does. Numerical simulation further suggests that prospects for successful collaboration over most scenarios (including operational) increase when a large, effective Islamist terrorist organization initiates collaboration with a smaller right-wing group, as compared with the other scenarios considered. Although the small number of historical cases precludes robust statistical validation, the simulation results are supported by existing empirical evidence of collaboration between Islamists and right- or left-wing extremists. The game-theoretic approach, therefore, provides guidance regarding the circumstances under which such an unholy alliance of violent actors is likely to succeed. © 2016 Society for Risk Analysis.

Quantitative Evaluation of Performance in Interventional Neuroradiology: An Integrated Curriculum Featuring Theoretical and Practical Challenges

PubMed Central

Ernst, Marielle; Kriston, Levente; Romero, Javier M.; Frölich, Andreas M.; Jansen, Olav; Fiehler, Jens; Buhk, Jan-Hendrik

2016-01-01

Purpose We sought to develop a standardized curriculum capable of assessing key competencies in Interventional Neuroradiology by the use of models and simulators in an objective, quantitative, and efficient way. In this evaluation we analyzed the associations between the practical experience, theoretical knowledge, and the skills lab performance of interventionalists. Materials and Methods We evaluated the endovascular skills of 26 participants of the Advanced Course in Endovascular Interventional Neuroradiology of the European Society of Neuroradiology with a set of three tasks (aneurysm coiling and thrombectomy in a virtual simulator and placement of an intra-aneurysmal flow disruptor in a flow model). Practical experience was assessed by a survey. Participants completed a written and oral examination to evaluate theoretical knowledge. Bivariate and multivariate analyses were performed. Results In multivariate analysis knowledge of materials and techniques in Interventional Neuroradiology was moderately associated with skills in aneurysm coiling and thrombectomy. Experience in mechanical thrombectomy was moderately associated with thrombectomy skills, while age was negatively associated with thrombectomy skills. We found no significant association between age, sex, or work experience and skills in aneurysm coiling. Conclusion Our study gives an example of how an integrated curriculum for reasonable and cost-effective assessment of key competences of an interventional neuroradiologist could look. In addition to traditional assessment of theoretical knowledge practical skills are measured by the use of endovascular simulators yielding objective, quantitative, and constructive data for the evaluation of the current performance status of participants as well as the evolution of their technical competency over time. PMID:26848840

The mass dependence of dark matter halo alignments with large-scale structure

NASA Astrophysics Data System (ADS)

Piras, Davide; Joachimi, Benjamin; Schäfer, Björn Malte; Bonamigo, Mario; Hilbert, Stefan; van Uitert, Edo

2018-02-01

Tidal gravitational forces can modify the shape of galaxies and clusters of galaxies, thus correlating their orientation with the surrounding matter density field. We study the dependence of this phenomenon, known as intrinsic alignment (IA), on the mass of the dark matter haloes that host these bright structures, analysing the Millennium and Millennium-XXL N-body simulations. We closely follow the observational approach, measuring the halo position-halo shape alignment and subsequently dividing out the dependence on halo bias. We derive a theoretical scaling of the IA amplitude with mass in a dark matter universe, and predict a power law with slope βM in the range 1/3 to 1/2, depending on mass scale. We find that the simulation data agree with each other and with the theoretical prediction remarkably well over three orders of magnitude in mass, with the joint analysis yielding an estimate of β M = 0.36^{+0.01}_{-0.01}. This result does not depend on redshift or on the details of the halo shape measurement. The analysis is repeated on observational data, obtaining a significantly higher value, β M = 0.56^{+0.05}_{-0.05}. There are also small but significant deviations from our simple model in the simulation signals at both the high- and low-mass end. We discuss possible reasons for these discrepancies, and argue that they can be attributed to physical processes not captured in the model or in the dark matter-only simulations.

Comparison of real and computer-simulated outcomes of LASIK refractive surgery

NASA Astrophysics Data System (ADS)

Cano, Daniel; Barbero, Sergio; Marcos, Susana

2004-06-01

Computer simulations of alternative LASIK ablation patterns were performed for corneal elevation maps of 13 real myopic corneas (range of myopia, -2.0 to -11.5 D). The computationally simulated ablation patterns were designed with biconic surfaces (standard Munnerlyn pattern, parabolic pattern, and biconic pattern) or with aberrometry measurements (customized pattern). Simulated results were compared with real postoperative outcomes. Standard LASIK refractive surgery for myopia increased corneal asphericity and spherical aberration. Computations with the theoretical Munnerlyn ablation pattern did not increase the corneal asphericity and spherical aberration. The theoretical parabolic pattern induced a slight increase of asphericity and spherical aberration, explaining only 40% of the clinically found increase. The theoretical biconic pattern controlled corneal spherical aberration. Computations showed that the theoretical customized pattern can correct high-order asymmetric aberrations. Simulations of changes in efficiency due to reflection and nonnormal incidence of the laser light showed a further increase in corneal asphericity. Consideration of these effects with a parabolic pattern accounts for 70% of the clinical increase in asphericity.

Theoretical Models of Protostellar Binary and Multiple Systems with AMR Simulations

NASA Astrophysics Data System (ADS)

Matsumoto, Tomoaki; Tokuda, Kazuki; Onishi, Toshikazu; Inutsuka, Shu-ichiro; Saigo, Kazuya; Takakuwa, Shigehisa

2017-05-01

We present theoretical models for protostellar binary and multiple systems based on the high-resolution numerical simulation with an adaptive mesh refinement (AMR) code, SFUMATO. The recent ALMA observations have revealed early phases of the binary and multiple star formation with high spatial resolutions. These observations should be compared with theoretical models with high spatial resolutions. We present two theoretical models for (1) a high density molecular cloud core, MC27/L1521F, and (2) a protobinary system, L1551 NE. For the model for MC27, we performed numerical simulations for gravitational collapse of a turbulent cloud core. The cloud core exhibits fragmentation during the collapse, and dynamical interaction between the fragments produces an arc-like structure, which is one of the prominent structures observed by ALMA. For the model for L1551 NE, we performed numerical simulations of gas accretion onto protobinary. The simulations exhibit asymmetry of a circumbinary disk. Such asymmetry has been also observed by ALMA in the circumbinary disk of L1551 NE.

Discrete effect on the halfway bounce-back boundary condition of multiple-relaxation-time lattice Boltzmann model for convection-diffusion equations.

PubMed

Cui, Shuqi; Hong, Ning; Shi, Baochang; Chai, Zhenhua

2016-04-01

In this paper, we will focus on the multiple-relaxation-time (MRT) lattice Boltzmann model for two-dimensional convection-diffusion equations (CDEs), and analyze the discrete effect on the halfway bounce-back (HBB) boundary condition (or sometimes called bounce-back boundary condition) of the MRT model where three different discrete velocity models are considered. We first present a theoretical analysis on the discrete effect of the HBB boundary condition for the simple problems with a parabolic distribution in the x or y direction, and a numerical slip proportional to the second-order of lattice spacing is observed at the boundary, which means that the MRT model has a second-order convergence rate in space. The theoretical analysis also shows that the numerical slip can be eliminated in the MRT model through tuning the free relaxation parameter corresponding to the second-order moment, while it cannot be removed in the single-relaxation-time model or the Bhatnagar-Gross-Krook model unless the relaxation parameter related to the diffusion coefficient is set to be a special value. We then perform some simulations to confirm our theoretical results, and find that the numerical results are consistent with our theoretical analysis. Finally, we would also like to point out the present analysis can be extended to other boundary conditions of lattice Boltzmann models for CDEs.

Design and analysis of metal-dielectric nonpolarizing beam splitters in a glass cube.

PubMed

Shi, Jin Hui; Guan, Chun Ying; Wang, Zheng Ping

2009-06-20

A novel design of a 25-layer metal-dielectric nonpolarizing beam splitter in a cube is proposed by use of the optimization method and is theoretically investigated. The simulations of the reflectance and differential phases induced by reflection and transmission are presented. The simulation results reveal that both the amplitude and the phase characteristics of the nonpolarizing beam splitter could realize the design targets, the differences between the simulated and the target reflectance of 50% are less than 2%, and the differential phases are less than 3 degrees in the range of 530 nm-570 nm for both p and s components.

Exact Solutions of Burnt-Bridge Models for Molecular Motor Transport

NASA Astrophysics Data System (ADS)

Morozov, Alexander; Pronina, Ekaterina; Kolomeisky, Anatoly; Artyomov, Maxim

2007-03-01

Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (called ``bridges''), is investigated theoretically by analyzing discrete-state stochastic ``burnt-bridge'' models. When an unbiased diffusing particle crosses the bridge, the link can be destroyed (``burned'') with a probability p, creating a biased directed motion for the particle. It is shown that for probability of burning p=1 the system can be mapped into one-dimensional single-particle hopping model along the periodic infinite lattice that allows one to calculate exactly all dynamic properties. For general case of p<1 a new theoretical method is developed, and dynamic properties are computed explicitly. Discrete-time and continuous-time dynamics, periodic and random distribution of bridges and different burning dynamics are analyzed and compared. Theoretical predictions are supported by extensive Monte Carlo computer simulations. Theoretical results are applied for analysis of the experiments on collagenase motor proteins.

Analysis of Fresnel Zone Plates Focusing Dependence on Operating Frequency

PubMed Central

Fuster, José Miguel; Candelas, Pilar; Castiñeira-Ibáñez, Sergio; Pérez-López, Sergio

2017-01-01

The focusing properties of Fresnel Zone Plates (FZPs) against frequency are analyzed in this work. It is shown that the FZP focal length depends almost linearly on the operating frequency. Focal depth and focal distortion are also considered, establishing a limit on the frequency span at which the operating frequency can be shifted. An underwater FZP ultrasound focusing system is demonstrated, and experimental results agree with the theoretical analysis and simulations. PMID:29206137

Asymmetric transmission and reflection spectra of FBG in single-multi-single mode fiber structure.

PubMed

Chai, Quan; Liu, Yanlei; Zhang, Jianzhong; Yang, Jun; Chen, Yujin; Yuan, Libo; Peng, Gang-Ding

2015-05-04

We give a comprehensive theoretical analysis and simulation of a FBG in single-multi-single mode fiber structure (FBG-in-SMS), based on the coupled mode analysis and the mode interference analysis. This enables us to explain the experimental observations, its asymmetric transmission and reflection spectra with the similar temperature responses near the spectral range of Bragg wavelengths. The transmission spectrum shift during FBG written-in process is observed and discussed. The analysis results are useful in the design of the SMS structure based sensors and filters.

A preliminary design study for a cosmic X-ray spectrometer

NASA Technical Reports Server (NTRS)

1972-01-01

The results are described of theoretical and experimental investigations aimed at the development of a curved crystal cosmic X-ray spectrometer to be used at the focal plane of the large orbiting X-ray telescope on the third High Energy Astronomical Observatory. The effort was concentrated on the development of spectrometer concepts and their evaluation by theoretical analysis, computer simulation, and laboratory testing with breadboard arrangements of crystals and detectors. In addition, a computer-controlled facility for precision testing and evaluation of crystals in air and vacuum was constructed. A summary of research objectives and results is included.

Magnetogasdynamic compression of a coaxial plasma accelerator flow for micrometeoroid simulation

NASA Technical Reports Server (NTRS)

Igenbergs, E. B.; Shriver, E. L.

1974-01-01

A new configuration of a coaxial plasma accelerator with self-energized magnetic compressor coil attached is described. It is shown that the circuit may be treated theoretically by analyzing an equivalent circuit mesh. The results obtained from the theoretical analysis compare favorably with the results measured experimentally. Using this accelerator configuration, glass beads of 125 micron diameter were accelerated to velocities as high as 11 kilometers per second, while 700 micron diameter glass beads were accelerated to velocities as high as 5 kilometers per second. The velocities are within the hypervelocity regime of meteoroids.

Theoretical analysis of two nonpolarizing beam splitters in asymmetrical glass cubes.

PubMed

Shi, Jin Hui; Wang, Zheng Ping

2008-05-01

The design principle for a nonpolarizing beam splitter based on the Brewster condition in a cube is introduced. Nonpolarizing beam splitters in an asymmetrical glass cube are proposed and theoretically investigated, and applied examples are given. To realize 50% reflectance and 50% transmittance at specified wavelengths for both polarization components with an error of less than 2%, two measurements are taken by adjusting the refractive index of the substrate material and optimizing the thicknesses of each film in the design procedures. The simulated results show that the targets are achieved using the method reported here.

A Theory of Electrical Conductivity of Pseudo-Binary Equivalent Molten Salt

NASA Astrophysics Data System (ADS)

Matsunaga, Shigeki; Koishi, Takahiro; Tamaki, Shigeru

2008-02-01

Many years ago, Sundheim proposed the "universal golden rule" by experiments, i.e. the ratio of the partial ionic conductivities in molten binary salt is equal to the inverse mass ratio of each ions, σ+/σ- = m-/m-. In the previous works, we have proved this relation by the theory using Langevin equation, and by molecular dynamics simulations (MD). In this study, the pseudo binary molten salt NaCl-KCl system is investigated in the same theoretical framework as previous works as the serial work in molten salts. The MD results are also reported in connection with the theoretical analysis.

A model-based analysis of a display for helicopter landing approach. [control theoretical model of human pilot

NASA Technical Reports Server (NTRS)

Hess, R. A.; Wheat, L. W.

1975-01-01

A control theoretic model of the human pilot was used to analyze a baseline electronic cockpit display in a helicopter landing approach task. The head down display was created on a stroke written cathode ray tube and the vehicle was a UH-1H helicopter. The landing approach task consisted of maintaining prescribed groundspeed and glideslope in the presence of random vertical and horizontal turbulence. The pilot model was also used to generate and evaluate display quickening laws designed to improve pilot vehicle performance. A simple fixed base simulation provided comparative tracking data.

Simulation and analysis of a model dinoflagellate predator-prey system

NASA Astrophysics Data System (ADS)

Mazzoleni, M. J.; Antonelli, T.; Coyne, K. J.; Rossi, L. F.

2015-12-01

This paper analyzes the dynamics of a model dinoflagellate predator-prey system and uses simulations to validate theoretical and experimental studies. A simple model for predator-prey interactions is derived by drawing upon analogies from chemical kinetics. This model is then modified to account for inefficiencies in predation. Simulation results are shown to closely match the model predictions. Additional simulations are then run which are based on experimental observations of predatory dinoflagellate behavior, and this study specifically investigates how the predatory dinoflagellate Karlodinium veneficum uses toxins to immobilize its prey and increase its feeding rate. These simulations account for complex dynamics that were not included in the basic models, and the results from these computational simulations closely match the experimentally observed predatory behavior of K. veneficum and reinforce the notion that predatory dinoflagellates utilize toxins to increase their feeding rate.

Distributed computing for membrane-based modeling of action potential propagation.

PubMed

Porras, D; Rogers, J M; Smith, W M; Pollard, A E

2000-08-01

Action potential propagation simulations with physiologic membrane currents and macroscopic tissue dimensions are computationally expensive. We, therefore, analyzed distributed computing schemes to reduce execution time in workstation clusters by parallelizing solutions with message passing. Four schemes were considered in two-dimensional monodomain simulations with the Beeler-Reuter membrane equations. Parallel speedups measured with each scheme were compared to theoretical speedups, recognizing the relationship between speedup and code portions that executed serially. A data decomposition scheme based on total ionic current provided the best performance. Analysis of communication latencies in that scheme led to a load-balancing algorithm in which measured speedups at 89 +/- 2% and 75 +/- 8% of theoretical speedups were achieved in homogeneous and heterogeneous clusters of workstations. Speedups in this scheme with the Luo-Rudy dynamic membrane equations exceeded 3.0 with eight distributed workstations. Cluster speedups were comparable to those measured during parallel execution on a shared memory machine.

Coherent beam combination of fiber lasers with a strongly confined waveguide: numerical model.

PubMed

Tao, Rumao; Si, Lei; Ma, Yanxing; Zhou, Pu; Liu, Zejin

2012-08-20

Self-imaging properties of fiber lasers in a strongly confined waveguide (SCW) and their application in coherent beam combination (CBC) are studied theoretically. Analytical formulas are derived for the positions, amplitudes, and phases of the N images at the end of an SCW, which is important for quantitative analysis of waveguide CBC. The formulas are verified with experimental results and numerical simulation of a finite difference beam propagation method (BPM). The error of our analytical formulas is less than 6%, which can be reduced to less than 1.5% with Goos-Hahnchen penetration depth considered. Based on the theoretical model and BPM, we studied the combination of two laser beams based on an SCW. The effects of the waveguide refractive index and Gaussian beam waist are studied. We also simulated the CBC of nine and 16 fiber lasers, and a single beam without side lobes was achieved.

Different mechanisms of cluster explosion within a unified smooth particle hydrodynamics Thomas-Fermi approach: Optical and short-wavelength regimes compared

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

Rusek, Marian; Orlowski, Arkadiusz

2005-04-01

The dynamics of small ({<=}55 atoms) argon clusters ionized by an intense femtosecond laser pulse is studied using a time-dependent Thomas-Fermi model. The resulting Bloch-like hydrodynamic equations are solved numerically using the smooth particle hydrodynamics method without the necessity of grid simulations. As follows from recent experiments, absorption of radiation and subsequent ionization of clusters observed in the short-wavelength laser frequency regime (98 nm) differs considerably from that in the optical spectral range (800 nm). Our theoretical approach provides a unified framework for treating these very different frequency regimes and allows for a deeper understanding of the underlying cluster explosionmore » mechanisms. The results of our analysis following from extensive numerical simulations presented in this paper are compared both with experimental findings and with predictions of other theoretical models.« less

Toll-Like Receptor-9-Mediated Invasion in Breast Cancer

DTIC Science & Technology

2011-07-01

Molecular Dynamics Simulations. Theoretical structural models were obtained from molecular dynamics simulations using explicit solvation by...with AMBER by MARDIGRAS. The solution structure was then derived by coupling the resulting NMR distance restraints with a molecular dynamic ...Overlay of NMR restrained structure (red) with theoretical molecular dynamic simulated annealing structure (blue). Energetic stability of the 9-mer

Comparing Simulated and Theoretical Sampling Distributions of the U3 Person-Fit Statistic.

ERIC Educational Resources Information Center

Emons, Wilco H. M.; Meijer, Rob R.; Sijtsma, Klaas

2002-01-01

Studied whether the theoretical sampling distribution of the U3 person-fit statistic is in agreement with the simulated sampling distribution under different item response theory models and varying item and test characteristics. Simulation results suggest that the use of standard normal deviates for the standardized version of the U3 statistic may…

Large-scale drivers of local precipitation extremes in convection-permitting climate simulations

NASA Astrophysics Data System (ADS)

Chan, Steven C.; Kendon, Elizabeth J.; Roberts, Nigel M.; Fowler, Hayley J.; Blenkinsop, Stephen

2016-04-01

The Met Office 1.5-km UKV convective-permitting models (CPM) is used to downscale present-climate and RCP8.5 60-km HadGEM3 GCM simulations. Extreme UK hourly precipitation intensities increase with local near-surface temperatures and humidity; for temperature, the simulated increase rate for the present-climate simulation is about 6.5% K**-1, which is consistent with observations and theoretical expectations. While extreme intensities are higher in the RCP8.5 simulation as higher temperatures are sampled, there is a decline at the highest temperatures due to circulation and relative humidity changes. Extending the analysis to the broader synoptic scale, it is found that circulation patterns, as diagnosed by MSLP or circulation type, play an increased role in the probability of extreme precipitation in the RCP8.5 simulation. Nevertheless for both CPM simulations, vertical instability is the principal driver for extreme precipitation.

Synthesis, spectroscopic investigation and theoretical studies of 2-((E)-(2-(2-cyanoacetyl)hydrazono)methyl)-4-((E)-phenyldiazenyl)phenyl methyl carbonate

NASA Astrophysics Data System (ADS)

Arokiasamy, A.; Manikandan, G.; Thanikachalam, V.; Gokula Krishnan, K.

2017-04-01

Synthesis and computational optimization studies have been carried out by Hartree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-31+G(d, p) basis set for 2-((E)-(2-(2-cyanoacetyl)hydrazono)methyl)-4-((E)-phenyldiazenyl)phenyl methyl carbonate (CHPMC). The stable configuration of CHPMC was confirmed theoretically by potential energy surface scan analysis. The complete vibrational assignments were performed on the basis of total energy distribution (TED) analysis. The vibrational properties studied by IR and Raman spectroscopic data complemented by quantum chemical calculations support the formation of intramolecular hydrogen bond. Furthermore, the UV-Vis spectra are interpreted in terms of TD-DFT quantum chemical calculations. The shapes of the simulated absorption spectra are in good agreement with the experimental data. The comparison between the experimental and theoretical values of FT-IR, FT-Raman vibrational spectra, NMR (1H and 13C) and UV-Vis spectra have also been discussed.

Theoretical Assessment of the Impact of Climatic Factors in a Vibrio Cholerae Model.

PubMed

Kolaye, G; Damakoa, I; Bowong, S; Houe, R; Békollè, D

2018-05-04

A mathematical model for Vibrio Cholerae (V. Cholerae) in a closed environment is considered, with the aim of investigating the impact of climatic factors which exerts a direct influence on the bacterial metabolism and on the bacterial reservoir capacity. We first propose a V. Cholerae mathematical model in a closed environment. A sensitivity analysis using the eFast method was performed to show the most important parameters of the model. After, we extend this V. cholerae model by taking account climatic factors that influence the bacterial reservoir capacity. We present the theoretical analysis of the model. More precisely, we compute equilibria and study their stabilities. The stability of equilibria was investigated using the theory of periodic cooperative systems with a concave nonlinearity. Theoretical results are supported by numerical simulations which further suggest the necessity to implement sanitation campaigns of aquatic environments by using suitable products against the bacteria during the periods of growth of aquatic reservoirs.

Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies.

PubMed

Takis, Panteleimon G; Papavasileiou, Konstantinos D; Peristeras, Loukas D; Boulougouris, Georgios C; Melissas, Vasilios S; Troganis, Anastassios N

2017-05-31

Dimethyl sulfoxide (DMSO) has a significant, multi-faceted role in medicine, pharmacy, and biology as well as in biophysical chemistry and catalysis. Its physical properties and impact on biomolecular structures still attract major scientific interest, especially the interactions of DMSO with biomolecular functional groups. In the present study, we shed light on the "isolated" carboxylic (-COOH) and amide (-NH) interactions in neat DMSO via 1 H NMR studies along with extensive theoretical approaches, i.e. molecular dynamics (MD) simulations, density functional theory (DFT), and ab initio calculations, applied on model compounds (i.e. acetic and benzoic acid, ethyl acetamidocyanoacetate). Both experimental and theoretical results show excellent agreement, thereby permitting the calculation of the association constants between the studied compounds and DMSO molecules. Our coupled MD simulations, DFT and ab initio calculations, and NMR spectroscopy results indicated that complex formation is entropically driven and DMSO molecules undergo multiple strong interactions with the studied molecules, particularly with the -COOH groups. The combined experimental and theoretical techniques unraveled the interactions of DMSO with the most abundant functional groups of peptides (i.e. peptide bonds, side chain and terminal carboxyl groups) in high detail, providing significant insights on the underlying thermodynamics driving these interactions. Moreover, the developed methodology for the analysis of the simulation results could serve as a template for future thermodynamic and kinetic studies of similar systems.

The Theoretical Astrophysical Observatory: Cloud-based Mock Galaxy Catalogs

NASA Astrophysics Data System (ADS)

Bernyk, Maksym; Croton, Darren J.; Tonini, Chiara; Hodkinson, Luke; Hassan, Amr H.; Garel, Thibault; Duffy, Alan R.; Mutch, Simon J.; Poole, Gregory B.; Hegarty, Sarah

2016-03-01

We introduce the Theoretical Astrophysical Observatory (TAO), an online virtual laboratory that houses mock observations of galaxy survey data. Such mocks have become an integral part of the modern analysis pipeline. However, building them requires expert knowledge of galaxy modeling and simulation techniques, significant investment in software development, and access to high performance computing. These requirements make it difficult for a small research team or individual to quickly build a mock catalog suited to their needs. To address this TAO offers access to multiple cosmological simulations and semi-analytic galaxy formation models from an intuitive and clean web interface. Results can be funnelled through science modules and sent to a dedicated supercomputer for further processing and manipulation. These modules include the ability to (1) construct custom observer light cones from the simulation data cubes; (2) generate the stellar emission from star formation histories, apply dust extinction, and compute absolute and/or apparent magnitudes; and (3) produce mock images of the sky. All of TAO’s features can be accessed without any programming requirements. The modular nature of TAO opens it up for further expansion in the future.

Vibrational spectroscopic, molecular docking and quantum chemical studies on 6-aminonicotinamide

NASA Astrophysics Data System (ADS)

Mohamed Asath, R.; Premkumar, S.; Mathavan, T.; Milton Franklin Benial, A.

2017-04-01

The most stable molecular structure of 6-aminonicotinamide (ANA) molecule was predicted by conformational analysis and vibrational spectral analysis was carried out by experimental and theoretical methods. The calculated and experimentally observed vibrational frequencies were assigned and compared. The π→π* electronic transition of the molecule was predicted by theoretically calculated ultraviolet-visible spectra in gas and liquid phase and further validated experimentally using ethanol as a solvent. Frontier molecular orbitals analysis was carried out to probe the reactive nature of the ANA molecule and further the site selectivity to specific chemical reactions were effectively analyzed by Fukui function calculation. The molecular electrostatic potential surface was simulated to confirm the reactive sites of the molecule. The natural bond orbital analysis was also performed to understand the intra molecular interactions, which confirms the bioactivity of the ANA molecule. Neuroprotective nature of the ANA molecule was analyzed by molecular docking analysis and the ANA molecule was identified as a good inhibitor against Alzheimer's disease.

Energy transfer mechanism and probability analysis of submarine pipe laterally impacted by dropped objects

NASA Astrophysics Data System (ADS)

Liang, Jing; Yu, Jian-xing; Yu, Yang; Lam, W.; Zhao, Yi-yu; Duan, Jing-hui

2016-06-01

Energy transfer ratio is the basic-factor affecting the level of pipe damage during the impact between dropped object and submarine pipe. For the purpose of studying energy transfer and damage mechanism of submarine pipe impacted by dropped objects, series of experiments are designed and carried out. The effective yield strength is deduced to make the quasi-static analysis more reliable, and the normal distribution of energy transfer ratio caused by lateral impact on pipes is presented by statistic analysis of experimental results based on the effective yield strength, which provides experimental and theoretical basis for the risk analysis of submarine pipe system impacted by dropped objects. Failure strains of pipe material are confirmed by comparing experimental results with finite element simulation. In addition, impact contact area and impact time are proved to be the major influence factors of energy transfer by sensitivity analysis of the finite element simulation.

MoleculaRnetworks: an integrated graph theoretic and data mining tool to explore solvent organization in molecular simulation.

PubMed

Mooney, Barbara Logan; Corrales, L René; Clark, Aurora E

2012-03-30

This work discusses scripts for processing molecular simulations data written using the software package R: A Language and Environment for Statistical Computing. These scripts, named moleculaRnetworks, are intended for the geometric and solvent network analysis of aqueous solutes and can be extended to other H-bonded solvents. New algorithms, several of which are based on graph theory, that interrogate the solvent environment about a solute are presented and described. This includes a novel method for identifying the geometric shape adopted by the solvent in the immediate vicinity of the solute and an exploratory approach for describing H-bonding, both based on the PageRank algorithm of Google search fame. The moleculaRnetworks codes include a preprocessor, which distills simulation trajectories into physicochemical data arrays, and an interactive analysis script that enables statistical, trend, and correlation analysis, and other data mining. The goal of these scripts is to increase access to the wealth of structural and dynamical information that can be obtained from molecular simulations. Copyright © 2012 Wiley Periodicals, Inc.

[Research on Time-frequency Characteristics of Magneto-acoustic Signal of Different Thickness Medium Based on Wave Summing Method].

PubMed

Zhang, Shunqi; Yin, Tao; Ma, Ren; Liu, Zhipeng

2015-08-01

Functional imaging method of biological electrical characteristics based on magneto-acoustic effect gives valuable information of tissue in early tumor diagnosis, therein time and frequency characteristics analysis of magneto-acoustic signal is important in image reconstruction. This paper proposes wave summing method based on Green function solution for acoustic source of magneto-acoustic effect. Simulations and analysis under quasi 1D transmission condition are carried out to time and frequency characteristics of magneto-acoustic signal of models with different thickness. Simulation results of magneto-acoustic signal were verified through experiments. Results of the simulation with different thickness showed that time-frequency characteristics of magneto-acoustic signal reflected thickness of sample. Thin sample, which is less than one wavelength of pulse, and thick sample, which is larger than one wavelength, showed different summed waveform and frequency characteristics, due to difference of summing thickness. Experimental results verified theoretical analysis and simulation results. This research has laid a foundation for acoustic source and conductivity reconstruction to the medium with different thickness in magneto-acoustic imaging.

Design of water pumping system by wind turbine for using in coastal areas of Bangladesh

NASA Astrophysics Data System (ADS)

Alam, Muhammad Mahbubul; Tasnim, Tamanna; Doha, Umnia

2017-06-01

In this work, a theoretical analysis has been carried out to analyze the prospect of Wind Pumping System (WPS) for using in coastal areas of Bangladesh. Wind speed data of three coastal areas of Bangladesh-Kutubdia, Patenga and Sathkhira has been analyzed and an optimal wind turbine viable for this wind speed range has been designed using the simulation software Q-blade. The simulated turbine is then coupled with a rotodynamic pump. The output of the Wind Pumping System (WPS) for the three coastal areas has been studied.

Simulation of Transcritical CO2 Refrigeration System with Booster Hot Gas Bypass in Tropical Climate

NASA Astrophysics Data System (ADS)

Santosa, I. D. M. C.; Sudirman; Waisnawa, IGNS; Sunu, PW; Temaja, IW

2018-01-01

A Simulation computer becomes significant important for performance analysis since there is high cost and time allocation to build an experimental rig, especially for CO2 refrigeration system. Besides, to modify the rig also need additional cos and time. One of computer program simulation that is very eligible to refrigeration system is Engineering Equation System (EES). In term of CO2 refrigeration system, environmental issues becomes priority on the refrigeration system development since the Carbon dioxide (CO2) is natural and clean refrigerant. This study aims is to analysis the EES simulation effectiveness to perform CO2 transcritical refrigeration system with booster hot gas bypass in high outdoor temperature. The research was carried out by theoretical study and numerical analysis of the refrigeration system using the EES program. Data input and simulation validation were obtained from experimental and secondary data. The result showed that the coefficient of performance (COP) decreased gradually with the outdoor temperature variation increasing. The results show the program can calculate the performance of the refrigeration system with quick running time and accurate. So, it will be significant important for the preliminary reference to improve the CO2 refrigeration system design for the hot climate temperature.

Exploring the Dynamics of Cell Processes through Simulations of Fluorescence Microscopy Experiments

PubMed Central

Angiolini, Juan; Plachta, Nicolas; Mocskos, Esteban; Levi, Valeria

2015-01-01

Fluorescence correlation spectroscopy (FCS) methods are powerful tools for unveiling the dynamical organization of cells. For simple cases, such as molecules passively moving in a homogeneous media, FCS analysis yields analytical functions that can be fitted to the experimental data to recover the phenomenological rate parameters. Unfortunately, many dynamical processes in cells do not follow these simple models, and in many instances it is not possible to obtain an analytical function through a theoretical analysis of a more complex model. In such cases, experimental analysis can be combined with Monte Carlo simulations to aid in interpretation of the data. In response to this need, we developed a method called FERNET (Fluorescence Emission Recipes and Numerical routines Toolkit) based on Monte Carlo simulations and the MCell-Blender platform, which was designed to treat the reaction-diffusion problem under realistic scenarios. This method enables us to set complex geometries of the simulation space, distribute molecules among different compartments, and define interspecies reactions with selected kinetic constants, diffusion coefficients, and species brightness. We apply this method to simulate single- and multiple-point FCS, photon-counting histogram analysis, raster image correlation spectroscopy, and two-color fluorescence cross-correlation spectroscopy. We believe that this new program could be very useful for predicting and understanding the output of fluorescence microscopy experiments. PMID:26039162

The Learners' Experience of Variation: Following Students' Threads of Learning Physics in Computer Simulation Sessions

ERIC Educational Resources Information Center

Ingerman, Ake; Linder, Cedric; Marshall, Delia

2009-01-01

This article attempts to describe students' process of learning physics using the notion of experiencing variation as the basic mechanism for learning, and thus explores what variation, with respect to a particular object of learning, that students experience in their process of constituting understanding. Theoretically, the analysis relies on…

The returns and risks of investment portfolio in a financial market

NASA Astrophysics Data System (ADS)

Li, Jiang-Cheng; Mei, Dong-Cheng

2014-07-01

The returns and risks of investment portfolio in a financial system was investigated by constructing a theoretical model based on the Heston model. After the theoretical model and analysis of portfolio were calculated and analyzed, we find the following: (i) The statistical properties (i.e., the probability distribution, the variance and loss rate of equity portfolio return) between simulation results of the theoretical model and the real financial data obtained from Dow Jones Industrial Average are in good agreement; (ii) The maximum dispersion of the investment portfolio is associated with the maximum stability of the equity portfolio return and minimal investment risks; (iii) An increase of the investment period and a worst investment period are associated with a decrease of stability of the equity portfolio return and a maximum investment risk, respectively.

Evaluation of the Analysis Influence on Transport in Reanalysis Regional Water Cycles

NASA Technical Reports Server (NTRS)

Bosilovich, M. G.; Chen, J.; Robertson, F. R.

2011-01-01

Regional water cycles of reanalyses do not follow theoretical assumptions applicable to pure simulated budgets. The data analysis changes the wind, temperature and moisture, perturbing the theoretical balance. Of course, the analysis is correcting the model forecast error, so that the state fields should be more aligned with observations. Recently, it has been reported that the moisture convergence over continental regions, even those with significant quantities of radiosonde profiles present, can produce long term values not consistent with theoretical bounds. Specifically, long averages over continents produce some regions of moisture divergence. This implies that the observational analysis leads to a source of water in the region. One such region is the Unite States Great Plains, which many radiosonde and lidar wind observations are assimilated. We will utilize a new ancillary data set from the MERRA reanalysis called the Gridded Innovations and Observations (GIO) which provides the assimilated observations on MERRA's native grid allowing more thorough consideration of their impact on regional and global climatology. Included with the GIO data are the observation minus forecast (OmF) and observation minus analysis (OmA). Using OmF and OmA, we can identify the bias of the analysis against each observing system and gain a better understanding of the observations that are controlling the regional analysis. In this study we will focus on the wind and moisture assimilation.

Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

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

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the “nanostructure problem”. Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than inmore » the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.« less

Au 133 (SPh - t Bu) 52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

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

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the "nanostructure problem". Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au-133(SPh-tBu)(52), was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than inmore » the slightly larger Au-144(SCH2CH2Ph)(60). Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.« less

Patterns induced by super cross-diffusion in a predator-prey system with Michaelis-Menten type harvesting.

PubMed

Liu, Biao; Wu, Ranchao; Chen, Liping

2018-04-01

Turing instability and pattern formation in a super cross-diffusion predator-prey system with Michaelis-Menten type predator harvesting are investigated. Stability of equilibrium points is first explored with or without super cross-diffusion. It is found that cross-diffusion could induce instability of equilibria. To further derive the conditions of Turing instability, the linear stability analysis is carried out. From theoretical analysis, note that cross-diffusion is the key mechanism for the formation of spatial patterns. By taking cross-diffusion rate as bifurcation parameter, we derive amplitude equations near the Turing bifurcation point for the excited modes by means of weakly nonlinear theory. Dynamical analysis of the amplitude equations interprets the structural transitions and stability of various forms of Turing patterns. Furthermore, the theoretical results are illustrated via numerical simulations. Copyright © 2018. Published by Elsevier Inc.

Mobility and Position Error Analysis of a Complex Planar Mechanism with Redundant Constraints

NASA Astrophysics Data System (ADS)

Sun, Qipeng; Li, Gangyan

2018-03-01

Nowadays mechanisms with redundant constraints have been created and attracted much attention for their merits. The mechanism of the redundant constraints in a mechanical system is analyzed in this paper. A analysis method of Planar Linkage with a repetitive structure is proposed to get the number and type of constraints. According to the difference of applications and constraint characteristics, the redundant constraints are divided into the theoretical planar redundant constraints and the space-planar redundant constraints. And the calculation formula for the number of redundant constraints and type of judging method are carried out. And a complex mechanism with redundant constraints is analyzed of the influence about redundant constraints on mechanical performance. With the combination of theoretical derivation and simulation research, a mechanism analysis method is put forward about the position error of complex mechanism with redundant constraints. It points out the direction on how to eliminate or reduce the influence of redundant constraints.

Au133(SPh-tBu)52 nanomolecules: X-ray crystallography, optical, electrochemical, and theoretical analysis.

PubMed

Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C

2015-04-15

Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the "nanostructure problem". Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than in the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.

Parametric study of closed wet cooling tower thermal performance

NASA Astrophysics Data System (ADS)

Qasim, S. M.; Hayder, M. J.

2017-08-01

The present study involves experimental and theoretical analysis to evaluate the thermal performance of modified Closed Wet Cooling Tower (CWCT). The experimental study includes: design, manufacture and testing prototype of a modified counter flow forced draft CWCT. The modification based on addition packing to the conventional CWCT. A series of experiments was carried out at different operational parameters. In view of energy analysis, the thermal performance parameters of the tower are: cooling range, tower approach, cooling capacity, thermal efficiency, heat and mass transfer coefficients. The theoretical study included develops Artificial Neural Network (ANN) models to predicting various thermal performance parameters of the tower. Utilizing experimental data for training and testing, the models simulated by multi-layer back propagation algorithm for varying all operational parameters stated in experimental test.

Analysis of Microstrip Line Fed Patch Antenna for Wireless Communications

NASA Astrophysics Data System (ADS)

Singh, Ashish; Aneesh, Mohammad; Kamakshi; Ansari, J. A.

2017-11-01

In this paper, theoretical analysis of microstrip line fed rectangular patch antenna loaded with parasitic element and split-ring resonator is presented. The proposed antenna shows that the dualband operation depends on gap between parasitic element, split-ring resonator, length and width of microstrip line. It is found that antenna resonates at two distinct resonating modes i.e., 0.9 GHz and 1.8 GHz for lower and upper resonance frequencies respectively. The antenna shows dual frequency nature with frequency ratio 2.0. The characteristics of microstrip line fed rectangular patch antenna loaded with parasitic element and split-ring resonator antenna is compared with other prototype microstrip line fed antennas. Further, the theoretical results are compared with simulated and reported experimental results, they are in close agreement.

Angle-of-Arrival Assisted GNSS Collaborative Positioning.

PubMed

Huang, Bin; Yao, Zheng; Cui, Xiaowei; Lu, Mingquan

2016-06-20

For outdoor and global navigation satellite system (GNSS) challenged scenarios, collaborative positioning algorithms are proposed to fuse information from GNSS satellites and terrestrial wireless systems. This paper derives the Cramer-Rao lower bound (CRLB) and algorithms for the angle-of-arrival (AOA)-assisted GNSS collaborative positioning. Based on the CRLB model and collaborative positioning algorithms, theoretical analysis are performed to specify the effects of various factors on the accuracy of collaborative positioning, including the number of users, their distribution and AOA measurements accuracy. Besides, the influences of the relative location of the collaborative users are also discussed in order to choose appropriate neighboring users, which is in favor of reducing computational complexity. Simulations and actual experiment are carried out with several GNSS receivers in different scenarios, and the results are consistent with theoretical analysis.

Analysis on spectra of hydroacoustic field in sonar cavity of the sandwich elastic wall structure

NASA Astrophysics Data System (ADS)

Xuetao, W.; Rui, H.; Weike, W.

2017-09-01

In this paper, the characteristics of the mechanical self - noise in sonar array cavity are studied by using the elastic flatbed - filled rectangular cavity parameterization model. Firstly, the analytic derivation of the vibration differential equation of the single layer, sandwich elastic wall plate structure and internal fluid coupling is carried out, and the modal method is used to solve it. Finally, the spectral characteristics of the acoustic field of rectangular cavity of different elastic wallboard materials are simulated and analyzed, which provides a theoretical reference for the prediction and control of sonar mechanical self-noise. In this paper, the sandwich board as control inside the dome background noise of a potential means were discussed, the dome background noise of qualitative prediction analysis and control has important theoretical significance.

Analysis of collapse in flattening a micro-grooved heat pipe by lateral compression

NASA Astrophysics Data System (ADS)

Li, Yong; He, Ting; Zeng, Zhixin

2012-11-01

The collapse of thin-walled micro-grooved heat pipes is a common phenomenon in the tube flattening process, which seriously influences the heat transfer performance and appearance of heat pipe. At present, there is no other better method to solve this problem. A new method by heating the heat pipe is proposed to eliminate the collapse during the flattening process. The effectiveness of the proposed method is investigated through a theoretical model, a finite element(FE) analysis, and experimental method. Firstly, A theoretical model based on a deformation model of six plastic hinges and the Antoine equation of the working fluid is established to analyze the collapse of thin walls at different temperatures. Then, the FE simulation and experiments of flattening process at different temperatures are carried out and compared with theoretical model. Finally, the FE model is followed to study the loads of the plates at different temperatures and heights of flattened heat pipes. The results of the theoretical model conform to those of the FE simulation and experiments in the flattened zone. The collapse occurs at room temperature. As the temperature increases, the collapse decreases and finally disappears at approximately 130 °C for various heights of flattened heat pipes. The loads of the moving plate increase as the temperature increases. Thus, the reasonable temperature for eliminating the collapse and reducing the load is approximately 130 °C. The advantage of the proposed method is that the collapse is reduced or eliminated by means of the thermal deformation characteristic of heat pipe itself instead of by external support. As a result, the heat transfer efficiency of heat pipe is raised.

Model-based diagnosis through Structural Analysis and Causal Computation for automotive Polymer Electrolyte Membrane Fuel Cell systems

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Frisk, Erik; Jung, Daniel; Krysander, Mattias; Pianese, Cesare

2017-07-01

The present paper proposes an advanced approach for Polymer Electrolyte Membrane Fuel Cell (PEMFC) systems fault detection and isolation through a model-based diagnostic algorithm. The considered algorithm is developed upon a lumped parameter model simulating a whole PEMFC system oriented towards automotive applications. This model is inspired by other models available in the literature, with further attention to stack thermal dynamics and water management. The developed model is analysed by means of Structural Analysis, to identify the correlations among involved physical variables, defined equations and a set of faults which may occur in the system (related to both auxiliary components malfunctions and stack degradation phenomena). Residual generators are designed by means of Causal Computation analysis and the maximum theoretical fault isolability, achievable with a minimal number of installed sensors, is investigated. The achieved results proved the capability of the algorithm to theoretically detect and isolate almost all faults with the only use of stack voltage and temperature sensors, with significant advantages from an industrial point of view. The effective fault isolability is proved through fault simulations at a specific fault magnitude with an advanced residual evaluation technique, to consider quantitative residual deviations from normal conditions and achieve univocal fault isolation.

FT-IR and Raman vibrational analysis, B3LYP and M06-2X simulations of 4-bromomethyl-6-tert-butyl-2H-chromen-2-one

NASA Astrophysics Data System (ADS)

Sert, Yusuf; Puttaraju, K. B.; Keskinoğlu, Sema; Shivashankar, K.; Ucun, Fatih

2015-01-01

In this study, the experimental and theoretical vibrational frequencies of a newly synthesized bacteriostatic and anti-tumor molecule namely, 4-bromomethyl-6-tert-butyl-2H-chromen-2-one have been investigated. The experimental FT-IR (4000-400 cm-1) and Raman spectra (4000-100 cm-1) of the compound in solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters have been calculated using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr and DFT/M06-2X: highly parametrized, empirical exchange correlation function) with 6-311++G(d, p) basis set by Gaussian 03 software, for the first time. The assignments of the vibrational frequencies have been done by potential energy distribution (PED) analysis using VEDA 4 software. The theoretical optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data and results in the literature. In addition, the highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital (LUMO) energy and the other related molecular energy values of the compound have been investigated using the same theoretical calculations.

Sensitivity Analysis and Simulation of Theoretical Response of Ceramics to Strong Magnetic Fields

DTIC Science & Technology

2016-09-01

Weapons and Materials Research Directorate, ARL Approved for public release; distribution is unlimited. FOR OFFICIAL USE ONLY...Compounds. 2013;551:568–577. 4. Terada N, Suzuki HS, Suzuki TS, Kitazawa H, Sakka Y, Kaneko K, Metoki N. In situ neutron diffraction study of...TS, Kitazawa H, Sakka Y, Kaneko K, Metoki N. Neutron diffraction texture analysis for alpha-Al2O3 oriented by a high magnetic field and sintering

Modeling and Analysis of Global and Regional Climate Change in Relation to Atmospheric Hydrologic Processes

NASA Technical Reports Server (NTRS)

Johnson, Donald R.

2001-01-01

This research was directed to the development and application of global isentropic modeling and analysis capabilities to describe hydrologic processes and energy exchange in the climate system, and discern regional climate change. An additional objective was to investigate the accuracy and theoretical limits of global climate predictability which are imposed by the inherent limitations of simulating trace constituent transport and the hydrologic processes of condensation, precipitation and cloud life cycles.

Theoretical analysis of transcranial Hall-effect stimulation based on passive cable model

NASA Astrophysics Data System (ADS)

Yuan, Yi; Li, Xiao-Li

2015-12-01

Transcranial Hall-effect stimulation (THS) is a new stimulation method in which an ultrasonic wave in a static magnetic field generates an electric field in an area of interest such as in the brain to modulate neuronal activities. However, the biophysical basis of simulating the neurons remains unknown. To address this problem, we perform a theoretical analysis based on a passive cable model to investigate the THS mechanism of neurons. Nerve tissues are conductive; an ultrasonic wave can move ions embedded in the tissue in a static magnetic field to generate an electric field (due to Lorentz force). In this study, a simulation model for an ultrasonically induced electric field in a static magnetic field is derived. Then, based on the passive cable model, the analytical solution for the voltage distribution in a nerve tissue is determined. The simulation results showthat THS can generate a voltage to stimulate neurons. Because the THS method possesses a higher spatial resolution and a deeper penetration depth, it shows promise as a tool for treating or rehabilitating neuropsychiatric disorders. Project supported by the National Natural Science Foundation of China (Grant Nos. 61273063 and 61503321), the China Postdoctoral Science Foundation (Grant No. 2013M540215), the Natural Science Foundation of Hebei Province, China (Grant No. F2014203161), and the Youth Research Program of Yanshan University, China (Grant No. 02000134).

Coupling CP-MD simulations and X-ray absorption spectroscopy: exploring the structure of oxaliplatin in aqueous solution.

PubMed

Beret, Elizabeth C; Provost, Karine; Müller, Diane; Marcos, Enrique Sánchez

2009-09-10

A combined experimental-theoretical approach applying X-ray absorption spectroscopy and ab initio molecular dynamics (CP-MD) simulations is used to get insight into the structural determination of oxaliplatin, a third-generation anticancer drug of the cisplatin family, in aqueous solution. Experimental Pt L(III)-edge EXAFS and XANES spectra of oxaliplatin in water are compared with theoretical XAS spectra. The latter are obtained as statistically averaged spectra computed for a set of selected snapshots extracted from the MD trajectory of ethyldiamineoxalatoplatinum(II) (EDO-Pt) in liquid water. This compound is a simplified structure of oxaliplatin, where the outer part of the cyclohexane ring contained in the cyclohexanediamine ligand of oxaliplatin has been removed. We show that EDO-Pt is an appropriate model to simulate the spectroscopical properties of oxaliplatin given that the cyclohexane ring does not generate particular features in neither the EXAFS nor the XANES spectra. The computation of average EXAFS spectra using structures from the MD simulation in which atoms are selected according to different cutoff radii around the Pt center allows the assignment of spectral features to particular structural motifs, both in k and R-spaces. The outer oxygen atoms of the oxalate ligand (R(Pt-O(II)) = 3.97 +/- 0.03 A) are responsible for a well-defined hump at around 6.5 A(-1) in the k(2)-weighted EXAFS spectrum. The conventional EXAFS analysis data procedure is reexamined by its application to the simulated average EXAFS spectra. The structural parameters resulting from the fit may then be compared with those obtained from the simulation, providing an estimation of the methodological error associated with the global fitting procedure. A thorough discussion on the synergy between the experimental and theoretical XAS approaches is presented, and evidence for the detection of a slight hydration structure around the Pt complex is shown, leading to the suggestion of a new challenge to experimental XAS measurements.

Analysis of machining accuracy during free form surface milling simulation for different milling strategies

NASA Astrophysics Data System (ADS)

Matras, A.; Kowalczyk, R.

2014-11-01

The analysis results of machining accuracy after the free form surface milling simulations (based on machining EN AW- 7075 alloys) for different machining strategies (Level Z, Radial, Square, Circular) are presented in the work. Particular milling simulations were performed using CAD/CAM Esprit software. The accuracy of obtained allowance is defined as a difference between the theoretical surface of work piece element (the surface designed in CAD software) and the machined surface after a milling simulation. The difference between two surfaces describes a value of roughness, which is as the result of tool shape mapping on the machined surface. Accuracy of the left allowance notifies in direct way a surface quality after the finish machining. Described methodology of usage CAD/CAM software can to let improve a time design of machining process for a free form surface milling by a 5-axis CNC milling machine with omitting to perform the item on a milling machine in order to measure the machining accuracy for the selected strategies and cutting data.

Theoretical analysis and Vsim simulation of a low-voltage high-efficiency 250 GHz gyrotron

NASA Astrophysics Data System (ADS)

An, Chenxiang; Zhang, Dian; Zhang, Jun; Zhong, Huihuang

2018-02-01

Low-voltage, high-frequency gyrotrons with hundreds of watts of power are useful in radar, magnetic resonance spectroscopy and plasma diagnostic applications. In this paper, a 10 kV, 478 W, 250 GHz gyrotron with an efficiency of nearly 40% and a pitch ratio of 1.5 was designed through linear and nonlinear numerical analyses and Vsim particle-in-cell (PIC) simulation. Vsim is a highly efficient parallel PIC code, but it has seldom been used to carry out electron beam wave interaction simulations of gyro-devices. The setting up of the parameters required for the Vsim simulations of the gyrotron is presented. The results of Vsim simulations agree well with that of nonlinear numerical calculation. The commercial software Vsim7.2 completed the 3D gyrotron simulation in 80 h using a 20 core, 2.2 GHz personal computer with 256 GBytes of memory.

Can thermal instabilities drive galactic precipitation and explain observed circumgalactic structure?

NASA Astrophysics Data System (ADS)

Silvia, Devin

2015-10-01

Understanding the complex nature of the circumgalactic medium (CGM) has been a target of numerous research efforts, both observationally and theoretically. While significant progress has been made in probing the structure and thermodynamic state of the CGM through the detection of metal line absorption systems using the Hubble Space Telescope (HST), a complete picture of the physical mechanisms that produce the observed properties does not yet exist. Recent theoretical work has suggested that a delicate balance between radiative cooling and thermal feedback detemines whether or not the CGM is capable of sustaining a stable, multiphase medium that would allow cool clouds to precipitate out of the galactic halo. This new theoretical framework may provide the explanation for many observational results. In this project, we will detemine whether or not this elegant and simple precipitation model can be supported by physics-rich numerical simulations of isolated galaxies. We will use our simulations to gain a deeper understanding of the precipitation model and explore the ionization and temperature stucture of the CGM. Our analysis will include the comparison of realistic synthetic spectra to those produced by HST, using the newly-developed Trident software package.

The characteristics simulation of FMCW laser backscattering signals

NASA Astrophysics Data System (ADS)

Liu, Bohu; Song, Chengtian; Duan, Yabo

2018-04-01

A Monte Carlo simulation model of FMCW laser transmission in a smoke interference environment was established in this paper. The aerosol extinction coefficient and scattering coefficient changed dynamically in the simulation according to the smoke concentration variation, aerosol particle distributions and photon spatial positions. The simulation results showed that the smoke backscattering interference produced a number of amplitude peaks in the beat signal spectrum; the SNR of target echo signal to smoke interference was related to the transmitted laser wavelength and the aerosol particle size distribution; a better SNR could be obtained when the laser wavelength was in the range of 560-1660 nm. The characteristics of FMCW laser backscattering signals generated by simulation are consistent with the theoretical analysis. Therefore, this study was greatly helpful for improving the ability of identifying target and anti-interference in the further research.

Kinetic simulations of the stability of a plasma confined by the magnetic field of a current rod

NASA Astrophysics Data System (ADS)

Tonge, J.; Leboeuf, J. N.; Huang, C.; Dawson, J. M.

2003-09-01

The kinetic stability of a plasma in the magnetic field of a current rod is investigated for various temperature and density profiles using three-dimensional particle-in-cell simulations. Such a plasma obeys similar physics to a plasma in a dipole magnetic field, while it is easier to perform computer simulations, and do theoretical analysis, of a plasma in the field of a current rod. Simple energy principle calculations and simulations with a variety of temperature and density profiles show that the plasma is stable to interchange for pressure profiles proportional to r-10/3. As predicted by theory the simulations also show that the density profile will be stationary as long as density is proportional to r-2 even though the temperature profile may not be stable.

A Theoretical and Empirical Integrated Method to Select the Optimal Combined Signals for Geometry-Free and Geometry-Based Three-Carrier Ambiguity Resolution.

PubMed

Zhao, Dongsheng; Roberts, Gethin Wyn; Lau, Lawrence; Hancock, Craig M; Bai, Ruibin

2016-11-16

Twelve GPS Block IIF satellites, out of the current constellation, can transmit on three-frequency signals (L1, L2, L5). Taking advantages of these signals, Three-Carrier Ambiguity Resolution (TCAR) is expected to bring much benefit for ambiguity resolution. One of the research areas is to find the optimal combined signals for a better ambiguity resolution in geometry-free (GF) and geometry-based (GB) mode. However, the existing researches select the signals through either pure theoretical analysis or testing with simulated data, which might be biased as the real observation condition could be different from theoretical prediction or simulation. In this paper, we propose a theoretical and empirical integrated method, which first selects the possible optimal combined signals in theory and then refines these signals with real triple-frequency GPS data, observed at eleven baselines of different lengths. An interpolation technique is also adopted in order to show changes of the AR performance with the increase in baseline length. The results show that the AR success rate can be improved by 3% in GF mode and 8% in GB mode at certain intervals of the baseline length. Therefore, the TCAR can perform better by adopting the combined signals proposed in this paper when the baseline meets the length condition.

A Theoretical and Empirical Integrated Method to Select the Optimal Combined Signals for Geometry-Free and Geometry-Based Three-Carrier Ambiguity Resolution

PubMed Central

Zhao, Dongsheng; Roberts, Gethin Wyn; Lau, Lawrence; Hancock, Craig M.; Bai, Ruibin

2016-01-01

Twelve GPS Block IIF satellites, out of the current constellation, can transmit on three-frequency signals (L1, L2, L5). Taking advantages of these signals, Three-Carrier Ambiguity Resolution (TCAR) is expected to bring much benefit for ambiguity resolution. One of the research areas is to find the optimal combined signals for a better ambiguity resolution in geometry-free (GF) and geometry-based (GB) mode. However, the existing researches select the signals through either pure theoretical analysis or testing with simulated data, which might be biased as the real observation condition could be different from theoretical prediction or simulation. In this paper, we propose a theoretical and empirical integrated method, which first selects the possible optimal combined signals in theory and then refines these signals with real triple-frequency GPS data, observed at eleven baselines of different lengths. An interpolation technique is also adopted in order to show changes of the AR performance with the increase in baseline length. The results show that the AR success rate can be improved by 3% in GF mode and 8% in GB mode at certain intervals of the baseline length. Therefore, the TCAR can perform better by adopting the combined signals proposed in this paper when the baseline meets the length condition. PMID:27854324

U(1) Wilson lattice gauge theories in digital quantum simulators

NASA Astrophysics Data System (ADS)

Muschik, Christine; Heyl, Markus; Martinez, Esteban; Monz, Thomas; Schindler, Philipp; Vogell, Berit; Dalmonte, Marcello; Hauke, Philipp; Blatt, Rainer; Zoller, Peter

2017-10-01

Lattice gauge theories describe fundamental phenomena in nature, but calculating their real-time dynamics on classical computers is notoriously difficult. In a recent publication (Martinez et al 2016 Nature 534 516), we proposed and experimentally demonstrated a digital quantum simulation of the paradigmatic Schwinger model, a U(1)-Wilson lattice gauge theory describing the interplay between fermionic matter and gauge bosons. Here, we provide a detailed theoretical analysis of the performance and the potential of this protocol. Our strategy is based on analytically integrating out the gauge bosons, which preserves exact gauge invariance but results in complicated long-range interactions between the matter fields. Trapped-ion platforms are naturally suited to implementing these interactions, allowing for an efficient quantum simulation of the model, with a number of gate operations that scales polynomially with system size. Employing numerical simulations, we illustrate that relevant phenomena can be observed in larger experimental systems, using as an example the production of particle-antiparticle pairs after a quantum quench. We investigate theoretically the robustness of the scheme towards generic error sources, and show that near-future experiments can reach regimes where finite-size effects are insignificant. We also discuss the challenges in quantum simulating the continuum limit of the theory. Using our scheme, fundamental phenomena of lattice gauge theories can be probed using a broad set of experimentally accessible observables, including the entanglement entropy and the vacuum persistence amplitude.

Coupling MD Simulations and X-ray Absorption Spectroscopy to Study Ions in Solution

NASA Astrophysics Data System (ADS)

Marcos, E. Sánchez; Beret, E. C.; Martínez, J. M.; Pappalardo, R. R.; Ayala, R.; Muñoz-Páez, A.

2007-12-01

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, X-ray Absorption techniques (XAS) have gained importance during the last decades although they are not free of difficulties associated to the data analysis leading to provide reliable structures. Computer simulations of ions in solution is a theoretical alternative to provide information on the solvation structure. Thus, the use of computational chemistry can increase the understanding of these systems although an accurate description of ionic solvation phenomena represents nowadays a significant challenge to theoretical chemistry. We present: (a) the assignment of features in the XANES spectrum to well defined structural motif in the ion environment, (b) MD-based evaluation of EXAFS parameters used in the fitting procedure to make easier the structural resolution, and (c) the use of the agreement between experimental and simulated XANES spectra to help in the choice of a given intermolecular potential for Computer Simulations. Chemical problems examined are: (a) the identification of the second hydration shell in dilute aqueous solutions of highly-charged cations, such as Cr3+, Rh3+, Ir3+, (b) the invisibility by XAS of certain structures characterized by Computer Simulations but exhibiting high dynamical behavior and (c) the solvation of Br- in acetonitrile.

Coupling MD Simulations and X-ray Absorption Spectroscopy to Study Ions in Solution

NASA Astrophysics Data System (ADS)

Marcos, E. Sánchez; Beret, E. C.; Martínez, J. M.; Pappalardo, R. R.; Ayala, R.; Muñoz-Páez, A.

2007-11-01

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, X-ray Absorption techniques (XAS) have gained importance during the last decades although they are not free of difficulties associated to the data analysis leading to provide reliable structures. Computer simulations of ions in solution is a theoretical alternative to provide information on the solvation structure. Thus, the use of computational chemistry can increase the understanding of these systems although an accurate description of ionic solvation phenomena represents nowadays a significant challenge to theoretical chemistry. We present: (a) the assignment of features in the XANES spectrum to well defined structural motif in the ion environment, (b) MD-based evaluation of EXAFS parameters used in the fitting procedure to make easier the structural resolution, and (c) the use of the agreement between experimental and simulated XANES spectra to help in the choice of a given intermolecular potential for Computer Simulations. Chemical problems examined are: (a) the identification of the second hydration shell in dilute aqueous solutions of highly-charged cations, such as Cr3+, Rh3+, Ir3+, (b) the invisibility by XAS of certain structures characterized by Computer Simulations but exhibiting high dynamical behavior and (c) the solvation of Br- in acetonitrile.

Partial Variance of Increments Method in Solar Wind Observations and Plasma Simulations

NASA Astrophysics Data System (ADS)

Greco, A.; Matthaeus, W. H.; Perri, S.; Osman, K. T.; Servidio, S.; Wan, M.; Dmitruk, P.

2018-02-01

The method called "PVI" (Partial Variance of Increments) has been increasingly used in analysis of spacecraft and numerical simulation data since its inception in 2008. The purpose of the method is to study the kinematics and formation of coherent structures in space plasmas, a topic that has gained considerable attention, leading the development of identification methods, observations, and associated theoretical research based on numerical simulations. This review paper will summarize key features of the method and provide a synopsis of the main results obtained by various groups using the method. This will enable new users or those considering methods of this type to find details and background collected in one place.

Theoretical Analysis of Novel Quasi-3D Microscopy of Cell Deformation

PubMed Central

Qiu, Jun; Baik, Andrew D.; Lu, X. Lucas; Hillman, Elizabeth M. C.; Zhuang, Zhuo; Guo, X. Edward

2012-01-01

A novel quasi-three-dimensional (quasi-3D) microscopy technique has been developed to enable visualization of a cell under dynamic loading in two orthogonal planes simultaneously. The three-dimensional (3D) dynamics of the mechanical behavior of a cell under fluid flow can be examined at a high temporal resolution. In this study, a numerical model of a fluorescently dyed cell was created in 3D space, and the cell was subjected to uniaxial deformation or unidirectional fluid shear flow via finite element analysis (FEA). Therefore, the intracellular deformation in the simulated cells was exactly prescribed. Two-dimensional fluorescent images simulating the quasi-3D technique were created from the cell and its deformed states in 3D space using a point-spread function (PSF) and a convolution operation. These simulated original and deformed images were processed by a digital image correlation technique to calculate quasi-3D-based intracellular strains. The calculated strains were compared to the prescribed strains, thus providing a theoretical basis for the measurement of the accuracy of quasi-3D and wide-field microscopy-based intracellular strain measurements against the true 3D strains. The signal-to-noise ratio (SNR) of the simulated quasi-3D images was also modulated using additive Gaussian noise, and a minimum SNR of 12 was needed to recover the prescribed strains using digital image correlation. Our computational study demonstrated that quasi-3D strain measurements closely recovered the true 3D strains in uniform and fluid flow cellular strain states to within 5% strain error. PMID:22707985

Study on Roadheader Cutting Load at Different Properties of Coal and Rock

PubMed Central

2013-01-01

The mechanism of cutting process of roadheader with cutting head was researched, and the influences of properties of coal and rock on cutting load were deeply analyzed. Aimed at the defects of traditional calculation method of cutting load on fully expressing the complex cutting process of cutting head, the method of finite element simulation was proposed to simulate the dynamic cutting process. Aimed at the characteristics of coal and rock which affect the cutting load, several simulations with different firmness coefficient were taken repeatedly, and the relationship between three-axis force and firmness coefficient was derived. A comparative analysis of cutting pick load between simulation results and theoretical formula was carried out, and a consistency was achieved. Then cutting process with a total cutting head was carried out on this basis. The results show that the simulation analysis not only provides a reliable guarantee for the accurate calculation of the cutting head load and improves the efficiency of the cutting head cutting test but also offers a basis for selection of cutting head with different geological conditions of coal or rock. PMID:24302866

Noise and linearity optimization methods for a 1.9GHz low noise amplifier.

PubMed

Guo, Wei; Huang, Da-Quan

2003-01-01

Noise and linearity performances are critical characteristics for radio frequency integrated circuits (RFICs), especially for low noise amplifiers (LNAs). In this paper, a detailed analysis of noise and linearity for the cascode architecture, a widely used circuit structure in LNA designs, is presented. The noise and the linearity improvement techniques for cascode structures are also developed and have been proven by computer simulating experiments. Theoretical analysis and simulation results showed that, for cascode structure LNAs, the first metallic oxide semiconductor field effect transistor (MOSFET) dominates the noise performance of the LNA, while the second MOSFET contributes more to the linearity. A conclusion is thus obtained that the first and second MOSFET of the LNA can be designed to optimize the noise performance and the linearity performance separately, without trade-offs. The 1.9GHz Complementary Metal-Oxide-Semiconductor (CMOS) LNA simulation results are also given as an application of the developed theory.

A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance

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

Tan, Kong Ooi; Meier, Beat H., E-mail: beme@ethz.ch, E-mail: maer@ethz.ch; Ernst, Matthias, E-mail: beme@ethz.ch, E-mail: maer@ethz.ch

2016-09-07

We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function ofmore » pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.« less

Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

NASA Astrophysics Data System (ADS)

Menon, Vidya V.; Foto, Egemen; Mary, Y. Sheena; Karatas, Esin; Panicker, C. Yohannan; Yalcin, Gözde; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Yildiz, Ilkay

2017-02-01

FT-IR and FT-Raman spectra of 5-nitro-2-phenoxymethylbenzimidazole were recorded and analyzed theoretically and experimentally. The splitting of Nsbnd H stretching mode in the IR spectrum with a red shift from the calculated value indicates the weakening of the NH bond. The theoretical calculations give the phenyl ring breathing modes at 999 cm-1 for mono substituted benzene ring and at 1040 cm-1 for tri-substituted benzene ring. The theoretical NMR chemical shifts are in agreement with the experimental chemical shifts. The most reactive sites for electrophilic and nucleophilic attack are predicted from the MEP analysis. HOMO of π nature is delocalized over the entire molecule whereas the LUMO is located over the complete molecule except mono-substituted phenyl ring and oxygen atom. Reactive sites of the title molecule have been located with the help of ALIE surfaces and Fukui functions. In order to determine locations prone to autoxidation and locations interesting for starting of degradation, bond dissociation energies have been calculated for all single acyclic bonds. For the determination of atoms with pronounced interactions with water we have calculated radial distribution functions obtained after molecular dynamics simulations. The calculated first hyperpolarizability of the title compound is 58.03 times that of standard nonlinear optical material urea. The substrate binding site interactions of the title compound with Topo II enzyme is reported by using molecular docking study. Biological activity studies show that the title compound can be leaded for developing new anticancer agents.

A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance.

PubMed

Tan, Kong Ooi; Agarwal, Vipin; Meier, Beat H; Ernst, Matthias

2016-09-07

We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function of pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.

Combining the Finite Element Method with Structural Connectome-based Analysis for Modeling Neurotrauma: Connectome Neurotrauma Mechanics

PubMed Central

Kraft, Reuben H.; Mckee, Phillip Justin; Dagro, Amy M.; Grafton, Scott T.

2012-01-01

This article presents the integration of brain injury biomechanics and graph theoretical analysis of neuronal connections, or connectomics, to form a neurocomputational model that captures spatiotemporal characteristics of trauma. We relate localized mechanical brain damage predicted from biofidelic finite element simulations of the human head subjected to impact with degradation in the structural connectome for a single individual. The finite element model incorporates various length scales into the full head simulations by including anisotropic constitutive laws informed by diffusion tensor imaging. Coupling between the finite element analysis and network-based tools is established through experimentally-based cellular injury thresholds for white matter regions. Once edges are degraded, graph theoretical measures are computed on the “damaged” network. For a frontal impact, the simulations predict that the temporal and occipital regions undergo the most axonal strain and strain rate at short times (less than 24 hrs), which leads to cellular death initiation, which results in damage that shows dependence on angle of impact and underlying microstructure of brain tissue. The monotonic cellular death relationships predict a spatiotemporal change of structural damage. Interestingly, at 96 hrs post-impact, computations predict no network nodes were completely disconnected from the network, despite significant damage to network edges. At early times () network measures of global and local efficiency were degraded little; however, as time increased to 96 hrs the network properties were significantly reduced. In the future, this computational framework could help inform functional networks from physics-based structural brain biomechanics to obtain not only a biomechanics-based understanding of injury, but also neurophysiological insight. PMID:22915997

Game theoretic approach for cooperative feature extraction in camera networks

NASA Astrophysics Data System (ADS)

Redondi, Alessandro E. C.; Baroffio, Luca; Cesana, Matteo; Tagliasacchi, Marco

2016-07-01

Visual sensor networks (VSNs) consist of several camera nodes with wireless communication capabilities that can perform visual analysis tasks such as object identification, recognition, and tracking. Often, VSN deployments result in many camera nodes with overlapping fields of view. In the past, such redundancy has been exploited in two different ways: (1) to improve the accuracy/quality of the visual analysis task by exploiting multiview information or (2) to reduce the energy consumed for performing the visual task, by applying temporal scheduling techniques among the cameras. We propose a game theoretic framework based on the Nash bargaining solution to bridge the gap between the two aforementioned approaches. The key tenet of the proposed framework is for cameras to reduce the consumed energy in the analysis process by exploiting the redundancy in the reciprocal fields of view. Experimental results in both simulated and real-life scenarios confirm that the proposed scheme is able to increase the network lifetime, with a negligible loss in terms of visual analysis accuracy.

Chromaticity effects on head-tail instabilities for broadband impedance using two particle model, Vlasov analysis, and simulations

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

Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.

Effects of the chromaticity on head-tail instabilities for broadband impedances are comprehensively studied, using the two particle model, the Vlasov analysis and computer simulations. We show both in the two particle model and the Vlasov analysis with the trapezoidal (semiconstant) wake model that we can derive universal contour plots for the growth factor as a function of the two dimensionless parameters: the wakefield strength, Υ, and the difference of the betatron phase advances between the head and the tail, χ. They reveal how the chromaticity affects strong head-tail instabilities and excites head-tail instabilities. We also apply the LEP (Large Electron-Positronmore » Collider) broadband resonator model to the Vlasov approach and find that the results are in very good agreement with those of the trapezoidal wake model. The theoretical findings are also reinforced by the simulation results. In conclusion, the trapezoidal wake model turns out to be a very useful tool since it significantly simplifies the time domain analysis and provides well-behaved impedance at the same time.« less

Chromaticity effects on head-tail instabilities for broadband impedance using two particle model, Vlasov analysis, and simulations

DOE PAGES

Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.; ...

2017-07-28

Effects of the chromaticity on head-tail instabilities for broadband impedances are comprehensively studied, using the two particle model, the Vlasov analysis and computer simulations. We show both in the two particle model and the Vlasov analysis with the trapezoidal (semiconstant) wake model that we can derive universal contour plots for the growth factor as a function of the two dimensionless parameters: the wakefield strength, Υ, and the difference of the betatron phase advances between the head and the tail, χ. They reveal how the chromaticity affects strong head-tail instabilities and excites head-tail instabilities. We also apply the LEP (Large Electron-Positronmore » Collider) broadband resonator model to the Vlasov approach and find that the results are in very good agreement with those of the trapezoidal wake model. The theoretical findings are also reinforced by the simulation results. In conclusion, the trapezoidal wake model turns out to be a very useful tool since it significantly simplifies the time domain analysis and provides well-behaved impedance at the same time.« less

Unprecedented homotopy perturbation method for solving nonlinear equations in the enzymatic reaction of glucose in a spherical matrix.

PubMed

Saranya, K; Mohan, V; Kizek, R; Fernandez, C; Rajendran, L

2018-02-01

The theory of glucose-responsive composite membranes for the planar diffusion and reaction process is extended to a microsphere membrane. The theoretical model of glucose oxidation and hydrogen peroxide production in the chitosan-aliginate microsphere has been discussed in this manuscript for the first time. We have successfully reported an analytical derived methodology utilizing homotopy perturbation to perform the numerical simulation. The influence and sensitive analysis of various parameters on the concentrations of gluconic acid and hydrogen peroxide are also discussed. The theoretical results enable to predict and optimize the performance of enzyme kinetics.

A vibrational study of inulin by means of experimental and theoretical methods

NASA Astrophysics Data System (ADS)

Balan, C.; Chis, M. I.; Rachisan, A. L.; Baia, M.

2018-07-01

Inulin, a natural polymer formed by several units of fructose and just one unit of glucose, is found in different plants or directly in some fruits or vegetables. Due to its structure it has been used in many applications from medicine, pharmacology or food industry. In spite of this, a complete vibrational analysis of the molecule is missing in the literature. Moreover, there are contradictory results regarding the assignment of certain vibrational modes. Therefore, the aim of this study was to obtain a comprehensive vibrational investigation of inulin by means of experimental (FT-IR and Raman spectroscopy) and theoretical (density functional theory -DFT simulations) methods.

Traffic Games: Modeling Freeway Traffic with Game Theory

PubMed Central

Cortés-Berrueco, Luis E.; Gershenson, Carlos; Stephens, Christopher R.

2016-01-01

We apply game theory to a vehicular traffic model to study the effect of driver strategies on traffic flow. The resulting model inherits the realistic dynamics achieved by a two-lane traffic model and aims to incorporate phenomena caused by driver-driver interactions. To achieve this goal, a game-theoretic description of driver interaction was developed. This game-theoretic formalization allows one to model different lane-changing behaviors and to keep track of mobility performance. We simulate the evolution of cooperation, traffic flow, and mobility performance for different modeled behaviors. The analysis of these results indicates a mobility optimization process achieved by drivers’ interactions. PMID:27855176

Traffic Games: Modeling Freeway Traffic with Game Theory.

PubMed

Cortés-Berrueco, Luis E; Gershenson, Carlos; Stephens, Christopher R

2016-01-01

We apply game theory to a vehicular traffic model to study the effect of driver strategies on traffic flow. The resulting model inherits the realistic dynamics achieved by a two-lane traffic model and aims to incorporate phenomena caused by driver-driver interactions. To achieve this goal, a game-theoretic description of driver interaction was developed. This game-theoretic formalization allows one to model different lane-changing behaviors and to keep track of mobility performance. We simulate the evolution of cooperation, traffic flow, and mobility performance for different modeled behaviors. The analysis of these results indicates a mobility optimization process achieved by drivers' interactions.

Gain-clamped semiconductor optical amplifiers based on compensating light: Theoretical model and performance analysis

NASA Astrophysics Data System (ADS)

Jia, Xin-Hong; Wu, Zheng-Mao; Xia, Guang-Qiong

2006-12-01

It is well known that the gain-clamped semiconductor optical amplifier (GC-SOA) based on lasing effect is subject to transmission rate restriction because of relaxation oscillation. The GC-SOA based on compensating effect between signal light and amplified spontaneous emission by combined SOA and fiber Bragg grating (FBG) can be used to overcome this problem. In this paper, the theoretical model on GC-SOA based on compensating light has been constructed. The numerical simulations demonstrate that good gain and noise figure characteristics can be realized by selecting reasonably the FBG insertion position, the peak reflectivity of FBG and the biasing current of GC-SOA.

Wavelength modulation spectroscopy--digital detection of gas absorption harmonics based on Fourier analysis.

PubMed

Mei, Liang; Svanberg, Sune

2015-03-20

This work presents a detailed study of the theoretical aspects of the Fourier analysis method, which has been utilized for gas absorption harmonic detection in wavelength modulation spectroscopy (WMS). The lock-in detection of the harmonic signal is accomplished by studying the phase term of the inverse Fourier transform of the Fourier spectrum that corresponds to the harmonic signal. The mathematics and the corresponding simulation results are given for each procedure when applying the Fourier analysis method. The present work provides a detailed view of the WMS technique when applying the Fourier analysis method.

The subtle business of model reduction for stochastic chemical kinetics

NASA Astrophysics Data System (ADS)

Gillespie, Dan T.; Cao, Yang; Sanft, Kevin R.; Petzold, Linda R.

2009-02-01

This paper addresses the problem of simplifying chemical reaction networks by adroitly reducing the number of reaction channels and chemical species. The analysis adopts a discrete-stochastic point of view and focuses on the model reaction set S1⇌S2→S3, whose simplicity allows all the mathematics to be done exactly. The advantages and disadvantages of replacing this reaction set with a single S3-producing reaction are analyzed quantitatively using novel criteria for measuring simulation accuracy and simulation efficiency. It is shown that in all cases in which such a model reduction can be accomplished accurately and with a significant gain in simulation efficiency, a procedure called the slow-scale stochastic simulation algorithm provides a robust and theoretically transparent way of implementing the reduction.

The subtle business of model reduction for stochastic chemical kinetics.

PubMed

Gillespie, Dan T; Cao, Yang; Sanft, Kevin R; Petzold, Linda R

2009-02-14

This paper addresses the problem of simplifying chemical reaction networks by adroitly reducing the number of reaction channels and chemical species. The analysis adopts a discrete-stochastic point of view and focuses on the model reaction set S(1)<=>S(2)-->S(3), whose simplicity allows all the mathematics to be done exactly. The advantages and disadvantages of replacing this reaction set with a single S(3)-producing reaction are analyzed quantitatively using novel criteria for measuring simulation accuracy and simulation efficiency. It is shown that in all cases in which such a model reduction can be accomplished accurately and with a significant gain in simulation efficiency, a procedure called the slow-scale stochastic simulation algorithm provides a robust and theoretically transparent way of implementing the reduction.

a Virtual Trip to the Schwarzschild-De Sitter Black Hole

NASA Astrophysics Data System (ADS)

Bakala, Pavel; Hledík, Stanislav; Stuchlík, Zdenĕk; Truparová, Kamila; Čermák, Petr

2008-09-01

We developed realistic fully general relativistic computer code for simulation of optical projection in a strong, spherically symmetric gravitational field. Standard theoretical analysis of optical projection for an observer in the vicinity of a Schwarzschild black hole is extended to black hole spacetimes with a repulsive cosmological constant, i.e, Schwarzschild-de Sitter (SdS) spacetimes. Influence of the cosmological constant is investigated for static observers and observers radially free-falling from static radius. Simulation includes effects of gravitational lensing, multiple images, Doppler and gravitational frequency shift, as well as the amplification of intensity. The code generates images of static observers sky and a movie simulations for radially free-falling observers. Techniques of parallel programming are applied to get high performance and fast run of the simulation code.

Generating Nonnormal Multivariate Data Using Copulas: Applications to SEM.

PubMed

Mair, Patrick; Satorra, Albert; Bentler, Peter M

2012-07-01

This article develops a procedure based on copulas to simulate multivariate nonnormal data that satisfy a prespecified variance-covariance matrix. The covariance matrix used can comply with a specific moment structure form (e.g., a factor analysis or a general structural equation model). Thus, the method is particularly useful for Monte Carlo evaluation of structural equation models within the context of nonnormal data. The new procedure for nonnormal data simulation is theoretically described and also implemented in the widely used R environment. The quality of the method is assessed by Monte Carlo simulations. A 1-sample test on the observed covariance matrix based on the copula methodology is proposed. This new test for evaluating the quality of a simulation is defined through a particular structural model specification and is robust against normality violations.

Phobos lander coding system: Software and analysis

NASA Technical Reports Server (NTRS)

Cheung, K.-M.; Pollara, F.

1988-01-01

The software developed for the decoding system used in the telemetry link of the Phobos Lander mission is described. Encoders and decoders are provided to cover the three possible telemetry configurations. The software can be used to decode actual data or to simulate the performance of the telemetry system. The theoretical properties of the codes chosen for this mission are analyzed and discussed.

Dynamics of an advertising competition model with sales promotion

NASA Astrophysics Data System (ADS)

Jiang, Hui; Feng, Zhaosheng; Jiang, Guirong

2017-01-01

In this paper, an advertising competition model with sales promotion is constructed and investigated. Conditions of the existence and stability of period-T solutions are obtained by means of the discrete map. Flip bifurcation is analyzed by using the center manifold theory and three sales promotion strategies are discussed. Example and numerical simulations are illustrated which agree well with our theoretical analysis.

Relativistic Astrophysics in Black Hole and Low-Mass Neutron Star X-ray Binaries

NASA Technical Reports Server (NTRS)

2000-01-01

During the five-year period, our study of "Relativistic Astrophysics in Black Hole and Low-Mass Neutron Star X-ray Binaries" has been focused on the following aspects: observations, data analysis, Monte-Carlo simulations, numerical calculations, and theoretical modeling. Most of the results of our study have been published in refereed journals and conference presentations.

Numerical study of influence of hydrogen backflow on krypton Hall effect thruster plasma focusing

NASA Astrophysics Data System (ADS)

Yan, Shilin; Ding, Yongjie; Wei, Liqiu; Hu, Yanlin; Li, Jie; Ning, Zhongxi; Yu, Daren

2017-03-01

The influence of backflow hydrogen on plasma plume focusing of a krypton Hall effect thruster is studied via a numerical simulation method. Theoretical analysis indicates that hydrogen participates in the plasma discharge process, changes the potential and ionization distribution in the thruster discharge cavity, and finally affects the plume focusing within a vacuum vessel.

Multiwavelength Thermometry at High Temperature: Why It is Advantageous to Work in the Ultraviolet

NASA Astrophysics Data System (ADS)

Girard, F.; Battuello, M.; Florio, M.

2014-07-01

In principle, multiwavelength radiation thermometry allows one to correctly measure the temperature of surfaces of unknown and varying surface emissivity. Unfortunately, none of the practical realizations proposed in the past proved to be sufficiently reliable because of a strong influence of the errors arising from incorrect modeling of the emissivity and of the limited number of operating wavelengths. The use of array detectors allows a high degree of flexibility both in terms of number and spectral position of the working wavelength bands. In the case of applications at high temperatures, i.e., near 2000 C or above, an analysis of the theoretical measuring principles of multiwavelength thermometry, suggests the opportunity of investigating the possible advantages in extending the operating wavelengths toward the ultraviolet region. To this purpose, a simulation program was developed which allows investigation of the effect of different influencing parameters. This paper presents a brief theoretical introduction and practical analysis of the method. The best choices are derived in terms of the different influencing parameters and data relative to the simulation of both real materials and fictitious emissivity curves and have been studied and analyzed with different emissivity models to check the robustness of the method.

A crowd of pedestrian dynamics - The perspective of physics. Comment on "Human behaviours in evacuation crowd dynamics: From modelling to "big data" toward crisis management" by Nicola Bellomo et al.

NASA Astrophysics Data System (ADS)

Miguel, António F.

2016-09-01

Walking is the most basic form of transportation. A good understanding of pedestrian's dynamics is essential in meeting the mobility and accessibility needs of people by providing a safe and quick walking flow [1]. Advances in the dynamics of pedestrians in crowds are of great theoretical and practical interest, as they lead to new insights regarding the planning of pedestrian facilities, crowd management, or evacuation analysis. Nicola Bellomo's et al. article [2] is a very timely review of the related research on modelling approaches, computational simulations, decision-making and crisis response. It also includes an attempt to accurately define commonly used terms, as well as a critical analysis of crowd dynamics and safety problems. As noted by the authors, ;models and simulations offer a virtual representation of real dynamics; that are essential to understand and predict the ;behavioural dynamics of crowds; [2]. As a physicist, I would like to put forward some additional theoretical and practical contributions that could be interesting to explore, regarding the perspective of physics on about human crowd dynamics (panic as a specific form of behaviour excluded).

Effect of wear on the burst strength of l-80 steel casing

NASA Astrophysics Data System (ADS)

Irawan, S.; Bharadwaj, A. M.; Temesgen, B.; Karuppanan, S.; Abdullah, M. Z. B.

2015-12-01

Casing wear has recently become one of the areas of research interest in the oil and gas industry especially in extended reach well drilling. The burst strength of a worn out casing is one of the significantly affected mechanical properties and is yet an area where less research is done The most commonly used equations to calculate the resulting burst strength after wear are Barlow, the initial yield burst, the full yield burst and the rupture burst equations. The objective of this study was to estimate casing burst strength after wear through Finite Element Analysis (FEA). It included calculation and comparison of the different theoretical bursts pressures with the simulation results along with effect of different wear shapes on L-80 casing material. The von Misses stress was used in the estimation of the burst pressure. The result obtained shows that the casing burst strength decreases as the wear percentage increases. Moreover, the burst strength value of the casing obtained from the FEA has a higher value compared to the theoretical burst strength values. Casing with crescent shaped wear give the highest burst strength value when simulated under nonlinear analysis.

An analysis of the surface-normal coupling efficiency of a metal grating coupler embedded in a Scotch tape optical waveguide

NASA Astrophysics Data System (ADS)

Barrios, Carlos Angulo; Canalejas-Tejero, Víctor

2017-01-01

The coupling efficiency at normal incidence of recently demonstrated aluminum grating couplers integrated in flexible Scotch tape waveguides has been analyzed theoretically and experimentally. Finite difference time domain (FDTD) and rigorously coupled wave analysis (RCWA) methods have been used to optimize the dimensions (duty cycle and metal thickness) of Scotch tape-embedded 1D Al gratings for maximum coupling at 635 nm wavelength. Good dimension and tape refractive index tolerances are predicted. FDTD simulations reveal the incident beam width and impinging position (alignment) values that avoid rediffraction and thus maximize the coupling efficiency. A 1D Al diffraction grating integrated into a Scotch tape optical waveguide has been fabricated and characterized. The fabrication process, based on pattern transfer, has been optimized to allow complete Al grating transfer onto the Scotch tape waveguide. A maximum coupling efficiency of 20% for TM-polarized normal incidence has been measured, which is in good agreement with the theoretical predictions. The measured coupling efficiency is further increased up to 28% for TM polarization under oblique incidence. Temperature dependence measurements have been also achieved and related to the simulations results and fabrication procedure.

Knowledge transmission model with differing initial transmission and retransmission process

NASA Astrophysics Data System (ADS)

Wang, Haiying; Wang, Jun; Small, Michael

2018-10-01

Knowledge transmission is a cyclic dynamic diffusion process. The rate of acceptance of knowledge differs upon whether or not the recipient has previously held the knowledge. In this paper, the knowledge transmission process is divided into an initial and a retransmission procedure, each with its own transmission and self-learning parameters. Based on epidemic spreading model, we propose a naive-evangelical-agnostic (VEA) knowledge transmission model and derive mean-field equations to describe the dynamics of knowledge transmission in homogeneous networks. Theoretical analysis identifies a criterion for the persistence of knowledge, i.e., the reproduction number R0 depends on the minor effective parameters between the initial and retransmission process. Moreover, the final size of evangelical individuals is only related to retransmission process parameters. Numerical simulations validate the theoretical analysis. Furthermore, the simulations indicate that increasing the initial transmission parameters, including first transmission and self-learning rates of naive individuals, can accelerate the velocity of knowledge transmission efficiently but have no effect on the final size of evangelical individuals. In contrast, the retransmission parameters, including retransmission and self-learning rates of agnostic individuals, have a significant effect on the rate of knowledge transmission, i.e., the larger parameters the greater final density of evangelical individuals.

Thermodynamic analysis of fuels in gas phase: ethanol, gasoline and ethanol - gasoline predicted by DFT method.

PubMed

Neto, A F G; Lopes, F S; Carvalho, E V; Huda, M N; Neto, A M J C; Machado, N T

2015-10-01

This paper presents a theoretical study using density functional theory to calculate thermodynamics properties of major molecules compounds at gas phase of fuels like gasoline, ethanol, and gasoline-ethanol mixture in thermal equilibrium on temperature range up to 1500 K. We simulated a composition of gasoline mixture with ethanol for a thorough study of thermal energy, enthalpy, Gibbs free energy, entropy, heat capacity at constant pressure with respect to temperature in order to study the influence caused by ethanol as an additive to gasoline. We used semi-empirical computational methods as well in order to know the efficiency of other methods to simulate fuels through this methodology. In addition, the ethanol influence through the changes in percentage fractions of chemical energy released in combustion reaction and the variations on thermal properties for autoignition temperatures of fuels was analyzed. We verified how ethanol reduces the chemical energy released by gasoline combustion and how at low temperatures the gas phase fuels in thermal equilibrium have similar thermodynamic behavior. Theoretical results were compared with experimental data, when available, and showed agreement. Graphical Abstract Thermodynamic analysis of fuels in gas phase.

Information theoretic analysis of canny edge detection in visual communication

NASA Astrophysics Data System (ADS)

Jiang, Bo; Rahman, Zia-ur

2011-06-01

In general edge detection evaluation, the edge detectors are examined, analyzed, and compared either visually or with a metric for specific an application. This analysis is usually independent of the characteristics of the image-gathering, transmission and display processes that do impact the quality of the acquired image and thus, the resulting edge image. We propose a new information theoretic analysis of edge detection that unites the different components of the visual communication channel and assesses edge detection algorithms in an integrated manner based on Shannon's information theory. The edge detection algorithm here is considered to achieve high performance only if the information rate from the scene to the edge approaches the maximum possible. Thus, by setting initial conditions of the visual communication system as constant, different edge detection algorithms could be evaluated. This analysis is normally limited to linear shift-invariant filters so in order to examine the Canny edge operator in our proposed system, we need to estimate its "power spectral density" (PSD). Since the Canny operator is non-linear and shift variant, we perform the estimation for a set of different system environment conditions using simulations. In our paper we will first introduce the PSD of the Canny operator for a range of system parameters. Then, using the estimated PSD, we will assess the Canny operator using information theoretic analysis. The information-theoretic metric is also used to compare the performance of the Canny operator with other edge-detection operators. This also provides a simple tool for selecting appropriate edgedetection algorithms based on system parameters, and for adjusting their parameters to maximize information throughput.

Minimum-variance Brownian motion control of an optically trapped probe.

PubMed

Huang, Yanan; Zhang, Zhipeng; Menq, Chia-Hsiang

2009-10-20

This paper presents a theoretical and experimental investigation of the Brownian motion control of an optically trapped probe. The Langevin equation is employed to describe the motion of the probe experiencing random thermal force and optical trapping force. Since active feedback control is applied to suppress the probe's Brownian motion, actuator dynamics and measurement delay are included in the equation. The equation of motion is simplified to a first-order linear differential equation and transformed to a discrete model for the purpose of controller design and data analysis. The derived model is experimentally verified by comparing the model prediction to the measured response of a 1.87 microm trapped probe subject to proportional control. It is then employed to design the optimal controller that minimizes the variance of the probe's Brownian motion. Theoretical analysis is derived to evaluate the control performance of a specific optical trap. Both experiment and simulation are used to validate the design as well as theoretical analysis, and to illustrate the performance envelope of the active control. Moreover, adaptive minimum variance control is implemented to maintain the optimal performance in the case in which the system is time varying when operating the actively controlled optical trap in a complex environment.

Ultrasonic density measurement cell design and simulation of non-ideal effects.

PubMed

Higuti, Ricardo Tokio; Buiochi, Flávio; Adamowski, Júlio Cezar; de Espinosa, Francisco Montero

2006-07-01

This paper presents a theoretical analysis of a density measurement cell using an unidimensional model composed by acoustic and electroacoustic transmission lines in order to simulate non-ideal effects. The model is implemented using matrix operations, and is used to design the cell considering its geometry, materials used in sensor assembly, range of liquid sample properties and signal analysis techniques. The sensor performance in non-ideal conditions is studied, considering the thicknesses of adhesive and metallization layers, and the effect of residue of liquid sample which can impregnate on the sample chamber surfaces. These layers are taken into account in the model, and their effects are compensated to reduce the error on density measurement. The results show the contribution of residue layer thickness to density error and its behavior when two signal analysis methods are used.

Numerical models analysis of energy conversion process in air-breathing laser propulsion

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

Hong Yanji; Song Junling; Cui Cunyan

Energy source was considered as a key essential in this paper to describe energy conversion process in air-breathing laser propulsion. Some secondary factors were ignored when three independent modules, ray transmission module, energy source term module and fluid dynamic module, were established by simultaneous laser radiation transportation equation and fluid mechanics equation. The incidence laser beam was simulated based on ray tracing method. The calculated results were in good agreement with those of theoretical analysis and experiments.

Development and application of structural dynamics analysis capabilities

NASA Technical Reports Server (NTRS)

Heinemann, Klaus W.; Hozaki, Shig

1994-01-01

Extensive research activities were performed in the area of multidisciplinary modeling and simulation of aerospace vehicles that are relevant to NASA Dryden Flight Research Facility. The efforts involved theoretical development, computer coding, and debugging of the STARS code. New solution procedures were developed in such areas as structures, CFD, and graphics, among others. Furthermore, systems-oriented codes were developed for rendering the code truly multidisciplinary and rather automated in nature. Also, work was performed in pre- and post-processing of engineering analysis data.

Research in Computational Astrobiology

NASA Technical Reports Server (NTRS)

Chaban, Galina; Colombano, Silvano; Scargle, Jeff; New, Michael H.; Pohorille, Andrew; Wilson, Michael A.

2003-01-01

We report on several projects in the field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. Research projects included modifying existing computer simulation codes to use efficient, multiple time step algorithms, statistical methods for analysis of astrophysical data via optimal partitioning methods, electronic structure calculations on water-nuclei acid complexes, incorporation of structural information into genomic sequence analysis methods and calculations of shock-induced formation of polycylic aromatic hydrocarbon compounds.

Fourier analysis and signal processing by use of the Moebius inversion formula

NASA Technical Reports Server (NTRS)

Reed, Irving S.; Yu, Xiaoli; Shih, Ming-Tang; Tufts, Donald W.; Truong, T. K.

1990-01-01

A novel Fourier technique for digital signal processing is developed. This approach to Fourier analysis is based on the number-theoretic method of the Moebius inversion of series. The Fourier transform method developed is shown also to yield the convolution of two signals. A computer simulation shows that this method for finding Fourier coefficients is quite suitable for digital signal processing. It competes with the classical FFT (fast Fourier transform) approach in terms of accuracy, complexity, and speed.

Theoretical Chemistry Comes Alive: Full Partner with Experiment.

ERIC Educational Resources Information Center

Goddard, William A., III

1985-01-01

The expected thrust for theoretical chemistry in the next decade will be to combine knowledge of fundamental chemical steps/interactions with advances in chemical dynamics, irreversible statistical mechanics, and computer technology to produce simulations of chemical systems with reaction site competition. A sample simulation (using the enzyme…

Theory and Simulations of Solar System Plasmas

NASA Technical Reports Server (NTRS)

Goldstein, Melvyn L.

2011-01-01

"Theory and simulations of solar system plasmas" aims to highlight results from microscopic to global scales, achieved by theoretical investigations and numerical simulations of the plasma dynamics in the solar system. The theoretical approach must allow evidencing the universality of the phenomena being considered, whatever the region is where their role is studied; at the Sun, in the solar corona, in the interplanetary space or in planetary magnetospheres. All possible theoretical issues concerning plasma dynamics are welcome, especially those using numerical models and simulations, since these tools are mandatory whenever analytical treatments fail, in particular when complex nonlinear phenomena are at work. Comparative studies for ongoing missions like Cassini, Cluster, Demeter, Stereo, Wind, SDO, Hinode, as well as those preparing future missions and proposals, like, e.g., MMS and Solar Orbiter, are especially encouraged.

Theoretical and experimental investigations on high peak power Q-switched Nd:YAG laser at 1112 nm

NASA Astrophysics Data System (ADS)

He, Miao; Yang, Feng; Wang, Zhi-Chao; Gao, Hong-Wei; Yuan, Lei; Li, Chen-Long; Zong, Nan; Shen, Yu; Bo, Yong; Peng, Qin-Jun; Cui, Da-Fu; Xu, Zu-Yan

2018-07-01

We report on the experimental measurement and theoretical analysis on a Q-switched high peak power laser diode (LD) side-pumped 1112 nm Nd:YAG laser by means of special mirrors coating design in cavity. In theory, a numerical model, based on four-wavelength rate equations, is performed to analyze the competition process of different gain lines and the output characteristics of the Q-switched Nd:YAG laser. In the experiment, a maximum output power of 25.2 W with beam quality factor M2 of 1.46 is obtained at the pulse repetition rate of 2 kHz and 210 ns of pulse width, corresponding to a pulse energy and peak power of 12.6 mJ and 60 kW, respectively. The experimental data agree well with the theoretical simulation results.

Does the U.S. exercise contagion on Italy? A theoretical model and empirical evidence

NASA Astrophysics Data System (ADS)

Cerqueti, Roy; Fenga, Livio; Ventura, Marco

2018-06-01

This paper deals with the theme of contagion in financial markets. At this aim, we develop a model based on Mixed Poisson Processes to describe the abnormal returns of financial markets of two considered countries. In so doing, the article defines the theoretical conditions to be satisfied in order to state that one of them - the so-called leader - exercises contagion on the others - the followers. Specifically, we employ an invariant probabilistic result stating that a suitable transformation of a Mixed Poisson Process is still a Mixed Poisson Process. The theoretical claim is validated by implementing an extensive simulation analysis grounded on empirical data. The countries considered are the U.S. (as the leader) and Italy (as the follower) and the period under scrutiny is very large, ranging from 1970 to 2014.

An interval precise integration method for transient unbalance response analysis of rotor system with uncertainty

NASA Astrophysics Data System (ADS)

Fu, Chao; Ren, Xingmin; Yang, Yongfeng; Xia, Yebao; Deng, Wangqun

2018-07-01

A non-intrusive interval precise integration method (IPIM) is proposed in this paper to analyze the transient unbalance response of uncertain rotor systems. The transfer matrix method (TMM) is used to derive the deterministic equations of motion of a hollow-shaft overhung rotor. The uncertain transient dynamic problem is solved by combing the Chebyshev approximation theory with the modified precise integration method (PIM). Transient response bounds are calculated by interval arithmetic of the expansion coefficients. Theoretical error analysis of the proposed method is provided briefly, and its accuracy is further validated by comparing with the scanning method in simulations. Numerical results show that the IPIM can keep good accuracy in vibration prediction of the start-up transient process. Furthermore, the proposed method can also provide theoretical guidance to other transient dynamic mechanical systems with uncertainties.

Graph-Theoretic Analysis of Monomethyl Phosphate Clustering in Ionic Solutions.

PubMed

Han, Kyungreem; Venable, Richard M; Bryant, Anne-Marie; Legacy, Christopher J; Shen, Rong; Li, Hui; Roux, Benoît; Gericke, Arne; Pastor, Richard W

2018-02-01

All-atom molecular dynamics simulations combined with graph-theoretic analysis reveal that clustering of monomethyl phosphate dianion (MMP 2- ) is strongly influenced by the types and combinations of cations in the aqueous solution. Although Ca 2+ promotes the formation of stable and large MMP 2- clusters, K + alone does not. Nonetheless, clusters are larger and their link lifetimes are longer in mixtures of K + and Ca 2+ . This "synergistic" effect depends sensitively on the Lennard-Jones interaction parameters between Ca 2+ and the phosphorus oxygen and correlates with the hydration of the clusters. The pronounced MMP 2- clustering effect of Ca 2+ in the presence of K + is confirmed by Fourier transform infrared spectroscopy. The characterization of the cation-dependent clustering of MMP 2- provides a starting point for understanding cation-dependent clustering of phosphoinositides in cell membranes.

Theoretical and experimental research on diversity reception technology in NLOS UV communication system.

PubMed

Han, Dahai; Liu, Yile; Zhang, Kai; Luo, Pengfei; Zhang, Min

2012-07-02

Diversity reception technology is introduced into ultraviolet communication area in this article with theory analysis and practical experiment. The idea of diversity reception was known as a critical effective method in wireless communication area that improves the Gain significantly especially for the multi-scattering channel. A theoretical modeling and simulation method are proposed to depict the principle and feasibility of diversity reception adopted in UV communication. Besides, an experimental test-bed using ultraviolet LED and dual receiver of photomultiplier tube is setup to characterize the effects of diversity receiving in non-line-of-sight (NLOS) ultraviolet communication system. The experiment results are compared with the theoretical ones to verify the accuracy of theoretical modeling and the effect of diversity reception. Equal gain combining (EGC) method was adopted as the diversity mechanism in this paper. The research results of theory and experiment provide insight into the channel characteristics and achievable capabilities of ultraviolet communication system with diversity receiving method.

The Importance of Simulation in Nursing Education

ERIC Educational Resources Information Center

Eyikara, Evrim; Baykara, Zehra Gocmen

2017-01-01

Nursing education involves a practice-oriented curriculum in which emphasis is placed on both theoretical knowledge and psychomotor skills. In skill-based education, where learning through practice occupies a central role, it is important to ensure the integration of theoretical knowledge into practice. In this context, simulations represent an…

A closed-loop time-alignment system for baseband combining

NASA Technical Reports Server (NTRS)

Feria, Y.

1994-01-01

In baseband combining, the key element is the time alignment of the baseband signals. This article describes a closed-loop time-alignment system that estimates and adjusts the relative delay between two baseband signals received from two different antennas for the signals to be coherently combined. This system automatically determines which signal is advanced and delays it accordingly with a resolution of a sample period. The performance of the loop is analyzed, and the analysis is verified through simulation. The variance of the delay estimates and the signal-to-noise ratio degradation in the simulations agree with the theoretical calculations.

Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer.

PubMed

Golas, Ewa I; Czaplewski, Cezary

2014-09-01

This work theoretically investigates the mechanical properties of a novel silk-derived biopolymer as polymerized in silico from sericin and elastin-like monomers. Molecular Dynamics simulations and Steered Molecular Dynamics were the principal computational methods used, the latter of which applies an external force onto the system and thereby enables an observation of its response to stress. The models explored herein are single-molecule approximations, and primarily serve as tools in a rational design process for the preliminary assessment of properties in a new material candidate. © 2014 Wiley Periodicals, Inc.

Study of helicopterroll control effectiveness criteria

NASA Technical Reports Server (NTRS)

Heffley, Robert K.; Bourne, Simon M.; Curtiss, Howard C., Jr.; Hindson, William S.; Hess, Ronald A.

1986-01-01

A study of helicopter roll control effectiveness based on closed-loop task performance measurement and modeling is presented. Roll control critieria are based on task margin, the excess of vehicle task performance capability over the pilot's task performance demand. Appropriate helicopter roll axis dynamic models are defined for use with analytic models for task performance. Both near-earth and up-and-away large-amplitude maneuvering phases are considered. The results of in-flight and moving-base simulation measurements are presented to support the roll control effectiveness criteria offered. This Volume contains the theoretical analysis, simulation results and criteria development.

Pilot self-coding applied in optical OFDM systems

NASA Astrophysics Data System (ADS)

Li, Changping; Yi, Ying; Lee, Kyesan

2015-04-01

This paper studies the frequency offset correction technique which can be applied in optical OFDM systems. Through theoretical analysis and computer simulations, we can observe that our proposed scheme named pilot self-coding (PSC) has a distinct influence for rectifying the frequency offset, which could mitigate the OFDM performance deterioration because of inter-carrier interference and common phase error. The main approach is to assign a pilot subcarrier before data subcarriers and copy this subcarrier sequence to the symmetric side. The simulation results verify that our proposed PSC is indeed effective against the high degree of frequency offset.

Research on grid connection control technology of double fed wind generator

NASA Astrophysics Data System (ADS)

Ling, Li

2017-01-01

The composition and working principle of variable speed constant frequency doubly fed wind power generation system is discussed in this thesis. On the basis of theoretical analysis and control on the modeling, the doubly fed wind power generation simulation control system is designed based on a TMS320F2407 digital signal processor (DSP), and has done a large amount of experimental research, which mainly include, variable speed constant frequency, constant pressure, Grid connected control experiment. The running results show that the design of simulation control system is reasonable and can meet the need of experimental research.

Can one trust quantum simulators?

PubMed

Hauke, Philipp; Cucchietti, Fernando M; Tagliacozzo, Luca; Deutsch, Ivan; Lewenstein, Maciej

2012-08-01

Various fundamental phenomena of strongly correlated quantum systems such as high-T(c) superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int. J. Theor. Phys. 21 467), Richard Feynman suggested that such models might be solved by 'simulation' with a new type of computer whose constituent parts are effectively governed by a desired quantum many-body dynamics. Measurements on this engineered machine, now known as a 'quantum simulator,' would reveal some unknown or difficult to compute properties of a model of interest. We argue that a useful quantum simulator must satisfy four conditions: relevance, controllability, reliability and efficiency. We review the current state of the art of digital and analog quantum simulators. Whereas so far the majority of the focus, both theoretically and experimentally, has been on controllability of relevant models, we emphasize here the need for a careful analysis of reliability and efficiency in the presence of imperfections. We discuss how disorder and noise can impact these conditions, and illustrate our concerns with novel numerical simulations of a paradigmatic example: a disordered quantum spin chain governed by the Ising model in a transverse magnetic field. We find that disorder can decrease the reliability of an analog quantum simulator of this model, although large errors in local observables are introduced only for strong levels of disorder. We conclude that the answer to the question 'Can we trust quantum simulators?' is … to some extent.

Theoretical and experimental examination of SFG polarization analysis at acetonitrile-water solution surfaces.

PubMed

Saito, Kengo; Peng, Qiling; Qiao, Lin; Wang, Lin; Joutsuka, Tatsuya; Ishiyama, Tatsuya; Ye, Shen; Morita, Akihiro

2017-03-29

Sum frequency generation (SFG) spectroscopy is widely used to observe molecular orientation at interfaces through a combination of various types of polarization. The present work thoroughly examines the relation between the polarization dependence of SFG signals and the molecular orientation, by comparing SFG measurements and molecular dynamics (MD) simulations of acetonitrile/water solutions. The present SFG experiment and MD simulations yield quite consistent results on the ratios of χ (2) elements, supporting the reliability of both means. However, the subsequent polarization analysis tends to derive more upright tilt angles of acetonitrile than the direct MD calculations. The reasons for discrepancy are examined in terms of three issues; (i) anisotropy of the Raman tensor, (ii) cross-correlation, and (iii) orientational distribution. The analysis revealed that the issues (i) and (iii) are the main causes of errors in the conventional polarization analysis of SFG spectra. In methyl CH stretching, the anisotropy of Raman tensor cannot be estimated from the simple bond polarizability model. The neglect of the orientational distribution is shown to systematically underestimate the tilt angle of acetonitrile. Further refined use of polarization analysis in collaboration with MD simulations should be proposed.

Buckling analysis of planar compression micro-springs

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

Zhang, Jing; Sui, Li; Shi, Gengchen

2015-04-15

Large compression deformation causes micro-springs buckling and loss of load capacity. We analyzed the impact of structural parameters and boundary conditions for planar micro-springs, and obtained the change rules for the two factors that affect buckling. A formula for critical buckling deformation of micro-springs under compressive load was derived based on elastic thin plate theory. Results from this formula were compared with finite element analysis results but these did not always correlate. Therefore, finite element analysis is necessary for micro-spring buckling analysis. We studied the variation of micro-spring critical buckling deformation caused by four structural parameters using ANSYS software undermore » two constraint conditions. The simulation results show that when an x-direction constraint is added, the critical buckling deformation increases by 32.3-297.9%. The critical buckling deformation decreases with increase in micro-spring arc radius or section width and increases with increase in micro-spring thickness or straight beam width. We conducted experiments to confirm the simulation results, and the experimental and simulation trends were found to agree. Buckling analysis of the micro-spring establishes a theoretical foundation for optimizing micro-spring structural parameters and constraint conditions to maximize the critical buckling load.« less

5D Tempest simulations of kinetic edge turbulence

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Xiong, Z.; Cohen, B. I.; Cohen, R. H.; Dorr, M. R.; Hittinger, J. A.; Kerbel, G. D.; Nevins, W. M.; Rognlien, T. D.; Umansky, M. V.; Qin, H.

2006-10-01

Results are presented from the development and application of TEMPEST, a nonlinear five dimensional (3d2v) gyrokinetic continuum code. The simulation results and theoretical analysis include studies of H-mode edge plasma neoclassical transport and turbulence in real divertor geometry and its relationship to plasma flow generation with zero external momentum input, including the important orbit-squeezing effect due to the large electric field flow-shear in the edge. In order to extend the code to 5D, we have formulated a set of fully nonlinear electrostatic gyrokinetic equations and a fully nonlinear gyrokinetic Poisson's equation which is valid for both neoclassical and turbulence simulations. Our 5D gyrokinetic code is built on 4D version of Tempest neoclassical code with extension to a fifth dimension in binormal direction. The code is able to simulate either a full torus or a toroidal segment. Progress on performing 5D turbulence simulations will be reported.

Buckling Behavior of Substrate Supported Graphene Sheets

PubMed Central

Yang, Kuijian; Chen, Yuli; Pan, Fei; Wang, Shengtao; Ma, Yong; Liu, Qijun

2016-01-01

The buckling of graphene sheets on substrates can significantly degrade their performance in materials and devices. Therefore, a systematic investigation on the buckling behavior of monolayer graphene sheet/substrate systems is carried out in this paper by both molecular mechanics simulations and theoretical analysis. From 70 simulation cases of simple-supported graphene sheets with different sizes under uniaxial compression, two different buckling modes are investigated and revealed to be dominated by the graphene size. Especially, for graphene sheets with length larger than 3 nm and width larger than 1.1 nm, the buckling mode depends only on the length/width ratio. Besides, it is revealed that the existence of graphene substrate can increase the critical buckling stress and strain to 4.39 N/m and 1.58%, respectively, which are about 10 times those for free-standing graphene sheets. Moreover, for graphene sheets with common size (longer than 20 nm), both theoretical and simulation results show that the critical buckling stress and strain are dominated only by the adhesive interactions with substrate and independent of the graphene size. Results in this work provide valuable insight and guidelines for the design and application of graphene-derived materials and nano-electromechanical systems. PMID:28787831

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

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

Advanced Methods for Aircraft Engine Thrust and Noise Benefits: Nozzle-Inlet Flow Analysis

NASA Technical Reports Server (NTRS)

Morgan, Morris H.; Gilinsky, Mikhail M.

2001-01-01

Three connected sub-projects were conducted under reported project. Partially, these sub-projects are directed to solving the problems conducted by the HU/FM&AL under two other NASA grants. The fundamental idea uniting these projects is to use untraditional 3D corrugated nozzle designs and additional methods for exhaust jet noise reduction without essential thrust lost and even with thrust augmentation. Such additional approaches are: (1) to add some solid, fluid, or gas mass at discrete locations to the main supersonic gas stream to minimize the negative influence of strong shock waves forming in propulsion systems; this mass addition may be accompanied by heat addition to the main stream as a result of the fuel combustion or by cooling of this stream as a result of the liquid mass evaporation and boiling; (2) to use porous or permeable nozzles and additional shells at the nozzle exit for preliminary cooling of exhaust hot jet and pressure compensation for non-design conditions (so-called continuous ejector with small mass flow rate; and (3) to propose and analyze new effective methods fuel injection into flow stream in air-breathing engines. Note that all these problems were formulated based on detailed descriptions of the main experimental facts observed at NASA Glenn Research Center. Basically, the HU/FM&AL Team has been involved in joint research with the purpose of finding theoretical explanations for experimental facts and the creation of the accurate numerical simulation technique and prediction theory for solutions for current problems in propulsion systems solved by NASA and Navy agencies. The research is focused on a wide regime of problems in the propulsion field as well as in experimental testing and theoretical and numerical simulation analysis for advanced aircraft and rocket engines. The F&AL Team uses analytical methods, numerical simulations, and possible experimental tests at the Hampton University campus. We will present some management activity and theoretical numerical simulation results obtained by the FM&AL Team in the reporting period in accordance with the schedule of the work.

Comment on "Heterodyne Lidar Returns in the Turbulent Atmosphere: Performance Evaluation of Simulated Systems"

NASA Technical Reports Server (NTRS)

Frehlich, Rod; Kavaya, Michael J.

2000-01-01

The explanation for the difference between simulation and the zero-order theory for heterodyne lidar returns in a turbulent atmosphere proposed by Belmonte and Rye is incorrect. The theoretical expansion is not developed under a square- law-structure function approximation (random wedge atmosphere). Agreement between the simulations and the zero-order term of the theoretical expansion is produced for the limit of statistically independent paths (bi-static operation with large transmitter-receiver separation) when the simulations correctly include the large-scale gradients of the turbulent atmosphere.

Multiscale Shannon's Entropy Modeling of Orientation and Distance in Steel Fiber Micro-Tomography Data.

PubMed

Chiverton, John P; Ige, Olubisi; Barnett, Stephanie J; Parry, Tony

2017-11-01

This paper is concerned with the modeling and analysis of the orientation and distance between steel fibers in X-ray micro-tomography data. The advantage of combining both orientation and separation in a model is that it helps provide a detailed understanding of how the steel fibers are arranged, which is easy to compare. The developed models are designed to summarize the randomness of the orientation distribution of the steel fibers both locally and across an entire volume based on multiscale entropy. Theoretical modeling, simulation, and application to real imaging data are shown here. The theoretical modeling of multiscale entropy for orientation includes a proof showing the final form of the multiscale taken over a linear range of scales. A series of image processing operations are also included to overcome interslice connectivity issues to help derive the statistical descriptions of the orientation distributions of the steel fibers. The results demonstrate that multiscale entropy provides unique insights into both simulated and real imaging data of steel fiber reinforced concrete.

Single-snapshot DOA estimation by using Compressed Sensing

NASA Astrophysics Data System (ADS)

Fortunati, Stefano; Grasso, Raffaele; Gini, Fulvio; Greco, Maria S.; LePage, Kevin

2014-12-01

This paper deals with the problem of estimating the directions of arrival (DOA) of multiple source signals from a single observation vector of an array data. In particular, four estimation algorithms based on the theory of compressed sensing (CS), i.e., the classical ℓ 1 minimization (or Least Absolute Shrinkage and Selection Operator, LASSO), the fast smooth ℓ 0 minimization, and the Sparse Iterative Covariance-Based Estimator, SPICE and the Iterative Adaptive Approach for Amplitude and Phase Estimation, IAA-APES algorithms, are analyzed, and their statistical properties are investigated and compared with the classical Fourier beamformer (FB) in different simulated scenarios. We show that unlike the classical FB, a CS-based beamformer (CSB) has some desirable properties typical of the adaptive algorithms (e.g., Capon and MUSIC) even in the single snapshot case. Particular attention is devoted to the super-resolution property. Theoretical arguments and simulation analysis provide evidence that a CS-based beamformer can achieve resolution beyond the classical Rayleigh limit. Finally, the theoretical findings are validated by processing a real sonar dataset.

An extended car-following model to describe connected traffic dynamics under cyberattacks

NASA Astrophysics Data System (ADS)

Wang, Pengcheng; Yu, Guizhen; Wu, Xinkai; Qin, Hongmao; Wang, Yunpeng

2018-04-01

In this paper, the impacts of the potential cyberattacks on vehicles are modeled through an extended car-following model. To better understand the mechanism of traffic disturbance under cyberattacks, the linear and nonlinear stability analysis are conducted respectively. Particularly, linear stability analysis is performed to obtain different neutral stability conditions with various parameters; and nonlinear stability analysis is carried out by using reductive perturbation method to derive the soliton solution of the modified Korteweg de Vries equation (mKdV) near the critical point, which is used to draw coexisting stability lines. Furthermore, by applying linear and nonlinear stability analysis, traffic flow state can be divided into three states, i.e., stable, metastable and unstable states which are useful to describe shockwave dynamics and driving behaviors under cyberattacks. The theoretical results show that the proposed car-following model is capable of successfully describing the car-following behavior of connected vehicles with cyberattacks. Finally, numerical simulation using real values has confirmed the validity of theoretical analysis. The results further demonstrate our model can be used to help avoid collisions and relieve traffic congestion with cybersecurity threats.

Static tool influence function for fabrication simulation of hexagonal mirror segments for extremely large telescopes.

PubMed

Kim, Dae Wook; Kim, Sug-Whan

2005-02-07

We present a novel simulation technique that offers efficient mass fabrication strategies for 2m class hexagonal mirror segments of extremely large telescopes. As the first of two studies in series, we establish the theoretical basis of the tool influence function (TIF) for precessing tool polishing simulation for non-rotating workpieces. These theoretical TIFs were then used to confirm the reproducibility of the material removal foot-prints (measured TIFs) of the bulged precessing tooling reported elsewhere. This is followed by the reverse-computation technique that traces, employing the simplex search method, the real polishing pressure from the empirical TIF. The technical details, together with the results and implications described here, provide the theoretical tool for material removal essential to the successful polishing simulation which will be reported in the second study.

Studies in Non-Equilibrium Statistical Mechanics.

DTIC Science & Technology

1982-09-01

in the formalism, and this is used to simulate the effects of rotational states and collisions. At each stochastic step the energy changes in the...uses of this method. 10. A Scaling Theoretical Analysis of Vibrational Relaxation Experiments: Rotational Effects and Long-Range Collisions 0...in- elude rotational effects through the rotational energy gaps and the rotational distributions. The variables in this theory are a fundamental set

A new approach to exact optical soliton solutions for the nonlinear Schrödinger equation

NASA Astrophysics Data System (ADS)

Morales-Delgado, V. F.; Gómez-Aguilar, J. F.; Baleanu, Dumitru

2018-05-01

By using the modified homotopy analysis transform method, we construct the analytical solutions of the space-time generalized nonlinear Schrödinger equation involving a new fractional conformable derivative in the Liouville-Caputo sense and the fractional-order derivative with the Mittag-Leffler law. Employing theoretical parameters, we present some numerical simulations and compare the solutions obtained.

Deep Water Acoustics

DTIC Science & Technology

2016-06-28

Sea, the results of which will support all of the objectives listed above. APPROACH APL-UW employed a combination of experimental measurements, data...APPROACH APL-UW employs a combination of experimental measurements, data analysis, simulations, and theoretical development to address the objectives...RD cases, respectively). In the RI case, the UTP moves back and forth along a curve. In the RD case, the UTP traces out an ellipse. The same is true

Future applications of associative processor systems to operational KSC systems for optimizing cost and enhancing performance characteristics

NASA Technical Reports Server (NTRS)

Perkinson, J. A.

1974-01-01

The application of associative memory processor equipment to conventional host processors type systems is discussed. Efforts were made to demonstrate how such application relieves the task burden of conventional systems, and enhance system speed and efficiency. Data cover comparative theoretical performance analysis, demonstration of expanded growth capabilities, and demonstrations of actual hardware in simulated environment.

Statistical thermodynamics of protein folding: Comparison of a mean-field theory with Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Hao, Ming-Hong; Scheraga, Harold A.

1995-01-01

A comparative study of protein folding with an analytical theory and computer simulations, respectively, is reported. The theory is based on an improved mean-field formalism which, in addition to the usual mean-field approximations, takes into account the distributions of energies in the subsets of conformational states. Sequence-specific properties of proteins are parametrized in the theory by two sets of variables, one for the energetics of mean-field interactions and one for the distribution of energies. Simulations are carried out on model polypeptides with different sequences, with different chain lengths, and with different interaction potentials, ranging from strong biases towards certain local chain states (bond angles and torsional angles) to complete absence of local conformational preferences. Theoretical analysis of the simulation results for the model polypeptides reveals three different types of behavior in the folding transition from the statistical coiled state to the compact globular state; these include a cooperative two-state transition, a continuous folding, and a glasslike transition. It is found that, with the fitted theoretical parameters which are specific for each polypeptide under a different potential, the mean-field theory can describe the thermodynamic properties and folding behavior of the different polypeptides accurately. By comparing the theoretical descriptions with simulation results, we verify the basic assumptions of the theory and, thereby, obtain new insights about the folding transitions of proteins. It is found that the cooperativity of the first-order folding transition of the model polypeptides is determined mainly by long-range interactions, in particular the dipolar orientation; the local interactions (e.g., bond-angle and torsion-angle potentials) have only marginal effect on the cooperative characteristic of the folding, but have a large impact on the difference in energy between the folded lowest-energy structure and the unfolded conformations of a protein.

A method to reproduce alpha-particle spectra measured with semiconductor detectors.

PubMed

Timón, A Fernández; Vargas, M Jurado; Sánchez, A Martín

2010-01-01

A method is proposed to reproduce alpha-particle spectra measured with silicon detectors, combining analytical and computer simulation techniques. The procedure includes the use of the Monte Carlo method to simulate the tracks of alpha-particles within the source and in the detector entrance window. The alpha-particle spectrum is finally obtained by the convolution of this simulated distribution and the theoretical distributions representing the contributions of the alpha-particle spectrometer to the spectrum. Experimental spectra from (233)U and (241)Am sources were compared with the predictions given by the proposed procedure, showing good agreement. The proposed method can be an important aid for the analysis and deconvolution of complex alpha-particle spectra. Copyright 2009 Elsevier Ltd. All rights reserved.

Angle-of-arrival variance of waves and rays in strong atmospheric scattering: split-step simulation results

NASA Astrophysics Data System (ADS)

Voelz, David; Wijerathna, Erandi; Xiao, Xifeng; Muschinski, Andreas

2017-09-01

The analysis of optical propagation through both deterministic and stochastic refractive-index fields may be substantially simplified if diffraction effects can be neglected. With regard to simplification, it is known that certain geometricaloptics predictions often agree well with field observations but it is not always clear why this is so. Here, a new investigation of this issue is presented involving wave optics and geometrical (ray) optics computer simulations of a beam of visible light propagating through fully turbulent, homogeneous and isotropic refractive-index fields. We compare the computationally simulated, aperture-averaged angle-of-arrival variances (for aperture diameters ranging from 0.5 to 13 Fresnel lengths) with theoretical predictions based on the Rytov theory.

Detection and monitoring of surface micro-cracks by PPP-BOTDA.

PubMed

Meng, Dewei; Ansari, Farhad; Feng, Xin

2015-06-01

Appearance of micrometer size surface cracks is common in structural elements such as welded connections, beams, and gusset plates in bridges. Brillouin scattering-based sensors are capable of making distributed strain measurements. Pre-pump-pulse Brillouin optical time domain analysis (PPP-BOTDA) provides a centimeter-level spatial resolution, which facilitates detection and monitoring of the cracks. In the work described here, in addition to the shift in Brillouin frequency (distributed strains), change in the Brillouin gain spectrum (BGS) width is investigated for the detection and monitoring of surface micro-cracks. A theoretical analysis was undertaken in order to verify the rationality of the proposed method. The theoretical approach involved simulation of strain within a segment of the optical fiber traversing a crack and use of the simulated strain distribution in the opto-mechanical relations in order to numerically obtain the change in the BGS. Simulations revealed that the increase in crack opening displacements is associated with increase in BGS width and decrease in its peak power. Experimental results also indicated that the increases in crack opening displacements are accompanied with increases in BGS widths. However, it will be difficult to use the decrease in BGS power peak as another indicator due to practical difficulties in establishing generalized power amplitude in all the experiments. The study indicated that, in combination with the shift in Brillouin frequency, the increase in BGS width will provide a strong tool for detection and monitoring of surface micro-crack growths.

An experimental and theoretical analysis of a foil-air bearing rotor system

NASA Astrophysics Data System (ADS)

Bonello, P.; Hassan, M. F. Bin

2018-01-01

Although there is considerable research on the experimental testing of foil-air bearing (FAB) rotor systems, only a small fraction has been correlated with simulations from a full nonlinear model that links the rotor, air film and foil domains, due to modelling complexity and computational burden. An approach for the simultaneous solution of the three domains as a coupled dynamical system, introduced by the first author and adopted by independent researchers, has recently demonstrated its capability to address this problem. This paper uses this approach, with further developments, in an experimental and theoretical study of a FAB-rotor test rig. The test rig is described in detail, including issues with its commissioning. The theoretical analysis uses a recently introduced modal-based bump foil model that accounts for interaction between the bumps and their inertia. The imposition of pressure constraints on the air film is found to delay the predicted onset of instability speed. The results lend experimental validation to a recent theoretically-based claim that the Gümbel condition may not be appropriate for a practical single-pad FAB. The satisfactory prediction of the salient features of the measured nonlinear behavior shows that the air film is indeed highly influential on the response, in contrast to an earlier finding.

An operational modal analysis method in frequency and spatial domain

NASA Astrophysics Data System (ADS)

Wang, Tong; Zhang, Lingmi; Tamura, Yukio

2005-12-01

A frequency and spatial domain decomposition method (FSDD) for operational modal analysis (OMA) is presented in this paper, which is an extension of the complex mode indicator function (CMIF) method for experimental modal analysis (EMA). The theoretical background of the FSDD method is clarified. Singular value decomposition is adopted to separate the signal space from the noise space. Finally, an enhanced power spectrum density (PSD) is proposed to obtain more accurate modal parameters by curve fitting in the frequency domain. Moreover, a simulation case and an application case are used to validate this method.

Influence analysis for high-dimensional time series with an application to epileptic seizure onset zone detection

PubMed Central

Flamm, Christoph; Graef, Andreas; Pirker, Susanne; Baumgartner, Christoph; Deistler, Manfred

2013-01-01

Granger causality is a useful concept for studying causal relations in networks. However, numerical problems occur when applying the corresponding methodology to high-dimensional time series showing co-movement, e.g. EEG recordings or economic data. In order to deal with these shortcomings, we propose a novel method for the causal analysis of such multivariate time series based on Granger causality and factor models. We present the theoretical background, successfully assess our methodology with the help of simulated data and show a potential application in EEG analysis of epileptic seizures. PMID:23354014

Development of IR imaging system simulator

NASA Astrophysics Data System (ADS)

Xiang, Xinglang; He, Guojing; Dong, Weike; Dong, Lu

2017-02-01

To overcome the disadvantages of the tradition semi-physical simulation and injection simulation equipment in the performance evaluation of the infrared imaging system (IRIS), a low-cost and reconfigurable IRIS simulator, which can simulate the realistic physical process of infrared imaging, is proposed to test and evaluate the performance of the IRIS. According to the theoretical simulation framework and the theoretical models of the IRIS, the architecture of the IRIS simulator is constructed. The 3D scenes are generated and the infrared atmospheric transmission effects are simulated using OGRE technology in real-time on the computer. The physical effects of the IRIS are classified as the signal response characteristic, modulation transfer characteristic and noise characteristic, and they are simulated on the single-board signal processing platform based on the core processor FPGA in real-time using high-speed parallel computation method.

Application and theoretical analysis of the flamelet model for supersonic turbulent combustion flows in the scramjet engine

NASA Astrophysics Data System (ADS)

Gao, Zhenxun; Wang, Jingying; Jiang, Chongwen; Lee, Chunhian

2014-11-01

In the framework of Reynolds-averaged Navier-Stokes simulation, supersonic turbulent combustion flows at the German Aerospace Centre (DLR) combustor and Japan Aerospace Exploration Agency (JAXA) integrated scramjet engine are numerically simulated using the flamelet model. Based on the DLR combustor case, theoretical analysis and numerical experiments conclude that: the finite rate model only implicitly considers the large-scale turbulent effect and, due to the lack of the small-scale non-equilibrium effect, it would overshoot the peak temperature compared to the flamelet model in general. Furthermore, high-Mach-number compressibility affects the flamelet model mainly through two ways: the spatial pressure variation and the static enthalpy variation due to the kinetic energy. In the flamelet library, the mass fractions of the intermediate species, e.g. OH, are more sensible to the above two effects than the main species such as H2O. Additionally, in the combustion flowfield where the pressure is larger than the value adopted in the generation of the flamelet library or the conversion from the static enthalpy to the kinetic energy occurs, the temperature obtained by the flamelet model without taking compressibility effects into account would be undershot, and vice versa. The static enthalpy variation effect has only little influence on the temperature simulation of the flamelet model, while the effect of the spatial pressure variation may cause relatively large errors. From the JAXA case, it is found that the flamelet model cannot in general be used for an integrated scramjet engine. The existence of the inlet together with the transverse injection scheme could cause large spatial variations of pressure, so the pressure value adopted for the generation of a flamelet library should be fine-tuned according to a pre-simulation of pure mixing.

A theoretical analysis of anatomical and functional intestinal slow wave re-entry.

PubMed

Du, Peng; O'Grady, Gregory; Cheng, Leo K

2017-07-21

Intestinal bioelectrical slow waves are a key regulator of intestinal motility. Peripheral pacemakers, ectopic initiations and sustained periods of re-entrant activities have all been experimentally observed to be important factors in setting the frequency of intestinal slow waves, but the tissue-level mechanisms underpinning these activities are unclear. This theoretical analysis aimed to define the initiation, maintenance, and termination criteria of two classes of intestinal re-entrant activities: anatomical re-entry and functional re-entry. Anatomical re-entry was modeled in a three-dimensional (3D) cylindrical model, and functional rotor was modeled in a 2D rectangle model. A single-pulse stimulus was used to invoke an anatomical re-entry and a prolonged refractory block was used to invoke the rotor. In both cases, the simulated re-entrant activities operated at frequencies above the baseline entrainment frequency. The anatomical re-entry simulation results demonstrated that a temporary functional refractory block would be required to initiate the re-entrant activity in a single direction around the cylindrical model. The rotor could be terminated by a single-pulse stimulus delivered around the core of the rotor. In conclusion, the simulation results provide the following new insights into the mechanisms of intestinal re-entry: (i) anatomical re-entry is only maintained within a specific range of velocities, outside of which the re-entrant activities become either an ectopic activity or simultaneous activations of the intestinal wall; (ii) a maintained rotor entrained slow waves faster in the antegrade direction than in the retrograde direction. Simulations are shown to be a valuable tool for achieving novel insights into the mechanisms of intestinal slow wave dysrhythmia. Copyright © 2017 Elsevier Ltd. All rights reserved.

Investigating the Cosmic Web with Topological Data Analysis

NASA Astrophysics Data System (ADS)

Cisewski-Kehe, Jessi; Wu, Mike; Fasy, Brittany; Hellwing, Wojciech; Lovell, Mark; Rinaldo, Alessandro; Wasserman, Larry

2018-01-01

Data exhibiting complicated spatial structures are common in many areas of science (e.g. cosmology, biology), but can be difficult to analyze. Persistent homology is a popular approach within the area of Topological Data Analysis that offers a new way to represent, visualize, and interpret complex data by extracting topological features, which can be used to infer properties of the underlying structures. In particular, TDA may be useful for analyzing the large-scale structure (LSS) of the Universe, which is an intricate and spatially complex web of matter. In order to understand the physics of the Universe, theoretical and computational cosmologists develop large-scale simulations that allow for visualizing and analyzing the LSS under varying physical assumptions. Each point in the 3D data set represents a galaxy or a cluster of galaxies, and topological summaries ("persistent diagrams") can be obtained summarizing the different ordered holes in the data (e.g. connected components, loops, voids).The topological summaries are interesting and informative descriptors of the Universe on their own, but hypothesis tests using the topological summaries would provide a way to make more rigorous comparisons of LSS under different theoretical models. For example, the received cosmological model has cold dark matter (CDM); however, while the case is strong for CDM, there are some observational inconsistencies with this theory. Another possibility is warm dark matter (WDM). It is of interest to see if a CDM Universe and WDM Universe produce LSS that is topologically distinct.We present several possible test statistics for two-sample hypothesis tests using the topological summaries, carryout a simulation study to investigate the suitableness of the proposed test statistics using simulated data from a variation of the Voronoi foam model, and finally we apply the proposed inference framework to WDM vs. CDM cosmological simulation data.

Study of ICRF wave propagation and plasma coupling efficiency in a linear magnetic mirror device

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

Peng, S.Y.

1991-07-01

Ion Cyclotron Range of Frequency (ICRF) wave propagation in an inhomogeneous axial magnetic field in a cylindrical plasma-vacuum system has historically been inadequately modelled. Previous works either sacrifice the cylindrical geometry in favor of a simpler slab geometry, concentrate on the resonance region, use a single mode to represent the entire field structure, or examine only radial propagation. This thesis performs both analytical and computational studies to model the ICRF wave-plasma coupling and propagation problem. Experimental analysis is also conducted to compare experimental results with theoretical predictions. Both theoretical as well as experimental analysis are undertaken as part of themore » thesis. The theoretical studies simulate the propagation of ICRF waves in an axially inhomogeneous magnetic field and in cylindrical geometry. Two theoretical analysis are undertaken - an analytical study and a computational study. The analytical study treats the inhomogeneous magnetic field by transforming the (r,z) coordinate into another coordinate system ({rho},{xi}) that allows the solution of the fields with much simpler boundaries. The plasma fields are then Fourier transformed into two coupled convolution-integral equations which are then differenced and solved for both the perpendicular mode number {alpha} as well as the complete EM fields. The computational study involves a multiple eigenmode computational analysis of the fields that exist within the plasma-vacuum system. The inhomogeneous axial field is treated by dividing the geometry into a series of transverse axial slices and using a constant dielectric tensor in each individual slice. The slices are then connected by longitudinal boundary conditions.« less

Nanostructure Formation by controlled dewetting on patterned substrates: A combined theoretical, modeling and experimental study.

PubMed

Lu, Liang-Xing; Wang, Ying-Min; Srinivasan, Bharathi Madurai; Asbahi, Mohamed; Yang, Joel K W; Zhang, Yong-Wei

2016-09-01

We perform systematic two-dimensional energetic analysis to study the stability of various nanostructures formed by dewetting solid films deposited on patterned substrates. Our analytical results show that by controlling system parameters such as the substrate surface pattern, film thickness and wetting angle, a variety of equilibrium nanostructures can be obtained. Phase diagrams are presented to show the complex relations between these system parameters and various nanostructure morphologies. We further carry out both phase field simulations and dewetting experiments to validate the analytically derived phase diagrams. Good agreements between the results from our energetic analyses and those from our phase field simulations and experiments verify our analysis. Hence, the phase diagrams presented here provide guidelines for using solid-state dewetting as a tool to achieve various nanostructures.

Heat transfer monitoring by means of the hot wire technique and finite element analysis software.

PubMed

Hernández Wong, J; Suarez, V; Guarachi, J; Calderón, A; Rojas-Trigos, J B; Juárez, A G; Marín, E

2014-01-01

It is reported the study of the radial heat transfer in a homogeneous and isotropic substance with a heat linear source in its axial axis. For this purpose, the hot wire characterization technique has been used, in order to obtain the temperature distribution as a function of radial distance from the axial axis and time exposure. Also, the solution of the transient heat transport equation for this problem was obtained under appropriate boundary conditions, by means of finite element technique. A comparison between experimental, conventional theoretical model and numerical simulated results is done to demonstrate the utility of the finite element analysis simulation methodology in the investigation of the thermal response of substances. Copyright © 2013 Elsevier Ltd. All rights reserved.

Investigation of a New Flux-Modulated Permanent Magnet Brushless Motor for EVs

PubMed Central

Gu, Lingling; Luo, Yong; Han, Xuedong

2014-01-01

This paper presents a flux-modulated direct drive (FMDD) motor. The key is to integrate the magnetic gear with the PM motor while removing the gear inner-rotor. Hence, the proposed FMDD motor can achieve the low-speed high-torque output and high-speed compact design requirements as well as high-torque density with a simple structure. The output power equation is analytically derived. By using finite element analysis (FEA), the static characteristics of the proposed motor are obtained. Based on these characteristics, the system mathematical model can be established. Hence, the evaluation of system performances is conducted by computer simulation using the Matlab/Simulink. A prototype is designed and built for experimentation. Experimental results are given to verify the theoretical analysis and simulation. PMID:24883405

Simulation and analysis of atmospheric transmission performance in airborne Terahertz communication

NASA Astrophysics Data System (ADS)

Pan, Chengsheng; Shi, Xin; Liu, Chengyang; Wang, Xue; Ding, Yuanming

2018-02-01

For the special meteorological condition of high altitude transmission; first the influence of atmospheric turbulence on the Terahertz wireless communication is analyzed, and the atmospheric constants model with increase in height is given. On this basis, the relationship between the flicker index and the high altitude horizon transmission distance of the Terahertz wave is analyzed by simulation. Then, through the analysis of high altitude path loss and noise, the high altitude wireless link model is built. Finally, the link loss budget is given according to the current Terahertz device parameters, and bit error rate (BER) performance of on-off keyed modulation (OOK) and pulse position modulation (PPM) in four Terahertz frequency bands is compared and analyzed. All these above provided theoretical reference for high-altitude Terahertz wireless communication transmission.

The AMIDAS Website: An Online Tool for Direct Dark Matter Detection Experiments

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

Shan, Chung-Lin

2010-02-10

Following our long-erm work on development of model-independent data analysis methods for reconstructing the one-dimensional velocity distribution function of halo WIMPs as well as for determining their mass and couplings on nucleons by using data from direct Dark Matter detection experiments directly, we combined the simulation programs to a compact system: AMIDAS (A Model-Independent Data Analysis System). For users' convenience an online system has also been established at the same time. AMIDAS has the ability to do full Monte Carlo simulations, faster theoretical estimations, as well as to analyze (real) data sets recorded in direct detection experiments without modifying themore » source code. In this article, I give an overview of functions of the AMIDAS code based on the use of its website.« less

Investigation of a new flux-modulated permanent magnet brushless motor for EVs.

PubMed

Fan, Ying; Gu, Lingling; Luo, Yong; Han, Xuedong; Cheng, Ming

2014-01-01

This paper presents a flux-modulated direct drive (FMDD) motor. The key is to integrate the magnetic gear with the PM motor while removing the gear inner-rotor. Hence, the proposed FMDD motor can achieve the low-speed high-torque output and high-speed compact design requirements as well as high-torque density with a simple structure. The output power equation is analytically derived. By using finite element analysis (FEA), the static characteristics of the proposed motor are obtained. Based on these characteristics, the system mathematical model can be established. Hence, the evaluation of system performances is conducted by computer simulation using the Matlab/Simulink. A prototype is designed and built for experimentation. Experimental results are given to verify the theoretical analysis and simulation.

X-ray microbeam three-dimensional topography for dislocation strain-field analysis of 4H-SiC

NASA Astrophysics Data System (ADS)

Tanuma, R.; Mori, D.; Kamata, I.; Tsuchida, H.

2013-07-01

This paper describes the strain-field analysis of threading edge dislocations (TEDs) and basal-plane dislocations (BPDs) in 4H-SiC using x-ray microbeam three-dimensional (3D) topography. This 3D topography enables quantitative strain-field analysis, which measures images of effective misorientations (Δω maps) around the dislocations. A deformation-matrix-based simulation algorithm is developed to theoretically evaluate the Δω mapping. Systematic linear calculations can provide simulated Δω maps (Δωsim maps) of dislocations with different Burgers vectors, directions, and reflection vectors for the desired cross-sections. For TEDs and BPDs, Δω maps are compared with Δωsim maps, and their excellent correlation is demonstrated. Two types of asymmetric reflections, high- and low-angle incidence types, are compared. Strain analyses are also conducted to investigate BPD-TED conversion near an epilayer/substrate interface in 4H-SiC.

Effect of current vehicle’s interruption on traffic stability in cooperative car-following theory

NASA Astrophysics Data System (ADS)

Zhang, Geng; Liu, Hui

2017-12-01

To reveal the impact of the current vehicle’s interruption information on traffic flow, a new car-following model with consideration of the current vehicle’s interruption is proposed and the influence of the current vehicle’s interruption on traffic stability is investigated through theoretical analysis and numerical simulation. By linear analysis, the linear stability condition of the new model is obtained and the negative influence of the current vehicle’s interruption on traffic stability is shown in the headway-sensitivity space. Through nonlinear analysis, the modified Korteweg-de Vries (mKdV) equation of the new model near the critical point is derived and it can be used to describe the propagating behavior of the traffic density wave. Finally, numerical simulation confirms the analytical results, which shows that the current vehicle’s interruption information can destabilize traffic flow and should be considered in real traffic.

Contact Kinetics in Fractal Macromolecules.

PubMed

Dolgushev, Maxim; Guérin, Thomas; Blumen, Alexander; Bénichou, Olivier; Voituriez, Raphaël

2015-11-13

We consider the kinetics of first contact between two monomers of the same macromolecule. Relying on a fractal description of the macromolecule, we develop an analytical method to compute the mean first contact time for various molecular sizes. In our theoretical description, the non-Markovian feature of monomer motion, arising from the interactions with the other monomers, is captured by accounting for the nonequilibrium conformations of the macromolecule at the very instant of first contact. This analysis reveals a simple scaling relation for the mean first contact time between two monomers, which involves only their equilibrium distance and the spectral dimension of the macromolecule, independently of its microscopic details. Our theoretical predictions are in excellent agreement with numerical stochastic simulations.

Novel optical gyroscope: proof of principle demonstration and future scope

PubMed Central

Srivastava, Shailesh; Rao D. S., Shreesha; Nandakumar, Hari

2016-01-01

We report the first proof-of-principle demonstration of the resonant optical gyroscope with reflector that we have recently proposed. The device is very different from traditional optical gyroscopes since it uses the inherent coupling between the clockwise and counterclockwise propagating waves to sense the rotation. Our demonstration confirms our theoretical analysis and simulations. We also demonstrate a novel method of biasing the gyroscope using orthogonal polarization states. The simplicity of the structure and the readout method, the theoretically predicted high sensitivities (better than 0.001 deg/hr), and the possibility of further performance enhancement using a related laser based active device, all have immense potential for attracting fresh research and technological initiatives. PMID:27694987

Two-plasmon decay instability in inhomogeneous plasmas at oblique laser incidence

DOE PAGES

Wen, H.; Maximov, A. V.; Short, R. W.; ...

2016-09-30

The two-plasmon decay (TPD) and stimulated Raman scattering (SRS) instabilities have been studied in the region near the quarter-critical density in the plasmas of the laser-driven inertial confinement fusion for a wide range of laser angles of incidence. The theoretical analysis of the TPD for oblique laser incidence has been carried out. The theoretical growth rates and thresholds have been compared with the results of the fluid-type simulations, and a good agreement has been found. Here, in the modeling including both TPD and SRS, the spectra of the growing perturbations have multiple peaks, and the maximum growth may be influencedmore » by the interplay between TPD and SRS.« less

Chaotic ultra-wideband radio generator based on an optoelectronic oscillator with a built-in microwave photonic filter.

PubMed

Wang, Li Xian; Zhu, Ning Hua; Zheng, Jian Yu; Liu, Jian Guo; Li, Wei

2012-05-20

We induce a microwave photonic bandpass filter into an optoelectronic oscillator to generate a chaotic ultra-wideband signal in both the optical and electrical domain. The theoretical analysis and numerical simulation indicate that this system is capable of generating band-limited high-dimensional chaos. Experimental results coincide well with the theoretical prediction and show that the power spectrum of the generated chaotic signal basically meets the Federal Communications Commission indoor mask. The generated chaotic carrier is further intensity modulated by a 10 MHz square wave, and the waveform of the output ultra-wideband signal is measured for demonstrating the chaotic on-off keying modulation.

Acoustic invisibility cloaks of arbitrary shapes for complex background media

NASA Astrophysics Data System (ADS)

Zhu, Jian; Chen, Tianning; Liang, Qingxuan; Wang, Xiaopeng; Xiong, Jie; Jiang, Ping

2016-04-01

We report on the theoretical investigation of the acoustic cloaks working in complex background media in this paper. The constitutive parameters of arbitrary-shape cloaks are derived based on the transformation acoustic theory and coordinate transformation technique. The detailed analysis of boundaries conditions and potential applications of the cloaks are also presented in our work. To overcome the difficulty of achieving the materials with ideal parameters in nature, concentric alternating layered isotropic materials is adopted to approximate the required properties of the cloak. Theoretical design and excellent invisibility are demonstrated by numerical simulations. The inhomogeneous medium and arbitrary-shape acoustic cloaks grow closer to real application and may be a new hot spot in future.

Design, fabrication, and measurement of reflective metasurface for orbital angular momentum vortex wave in radio frequency domain

NASA Astrophysics Data System (ADS)

Yu, Shixing; Li, Long; Shi, Guangming; Zhu, Cheng; Zhou, Xiaoxiao; Shi, Yan

2016-03-01

In this paper, a reflective metasurface is designed, fabricated, and experimentally demonstrated to generate an orbital angular momentum (OAM) vortex wave in radio frequency domain. Theoretical formula of phase-shift distribution is deduced and used to design the metasurface producing vortex radio waves. The prototype of a practical configuration is designed, fabricated, and measured to validate the theoretical analysis at 5.8 GHz. The simulated and experimental results verify that the vortex waves with different OAM mode numbers can be flexibly generated by using sub-wavelength reflective metasurfaces. The proposed method and metasurface pave a way to generate the OAM vortex waves for radio and microwave wireless communication applications.

Thermo-elastic-plastic analysis for elastic component under high temperature fatigue crack growth rate

NASA Astrophysics Data System (ADS)

Ali, Mohammed Ali Nasser

The research project presents a fundamental understanding of the fatigue crack growth mechanisms of AISI 420 martensitic stainless steel, based on the comparison analysis between the theoretical and numerical modelling, incorporating research findings under isothermal fatigue loading for solid cylindrical specimen and the theoretical modelling with the numerical simulation for tubular specimen when subjected to cyclic mechanical loading superimposed by cyclic thermal shock.The experimental part of this research programme studied the fatigue stress-life data for three types of surface conditions specimen and the isothermal stress-controlled fatigue testing at 300 °C - 600 °C temperature range. It is observed that the highest strength is obtained for the polished specimen, while the machined specimen shows lower strength, and the lowest strength is the notched specimen due to the high effect of the stress concentration. The material behaviour at room and high temperatures shows an initial hardening, followed by slow extension until fully plastic saturation then followed by crack initiation and growth eventually reaching the failure of the specimen, resulting from the dynamic strain ageing occurred from the transformation of austenitic microstructure to martensite and also, the nucleation of precipitation at grain boundaries and the incremental temperature increase the fatigue crack growth rate with stress intensity factor however, the crack growth rate at 600 °C test temperature is less than 500 °C because of the creep-fatigue taking place.The theoretical modelling presents the crack growth analysis and stress and strain intensity factor approaches analysed in two case studies based on the addition of thermo-elastic-plastic stresses to the experimental fatigue applied loading. Case study one estimates the thermal stresses superimposed sinusoidal cyclic mechanical stress results in solid cylinder under isothermal fatigue simulation. Case study two estimates the transient thermal stresses superimposed on cyclic mechanical loading results in hollow cylinder under thermal shock in heating case and down shock cooling case. The combination of stress and strain intensity factor theoretical calculations with the experimental output recorded data shows a similar behaviour with increasing temperature, and there is a fair correlation between the profiles at the beginning and then divergence with increasing the crack length. The transient influence of high temperature in case two, giving a very high thermal shock stress as a heating or cooling effects, shifting up the combined stress, when applied a cyclic mechanical load in fraction of seconds, and the reputations of these shocks, causing a fast failure under high thermal shock stress superimposed with mechanical loading.Finally, the numerical modelling analyses three cases studied were solved due to the types of loading and types of specimen geometry by using finite element models constructed through the ANSYS Workbench version 13.0. The first case is a low cyclic fatigue case for a solid cylinder specimen simulated by applying a cyclic mechanical loading. The second is an isothermal fatigue case for solid cylinder specimen simulated by supplying different constant temperatures on the outer surface with cyclic mechanical loading, where the two cases are similar to the experimental tests and the third case, is a thermo-mechanical fatigue for a hollow cylinder model by simulating a thermal up-shock generated due to transient heating on the outer surface of the model or down shock cooling on the inner surface with the cyclic mechanical loading. The results show a good agreement with the experimental data in terms of alternative stress and life in the first case. In case two results show the strain intensity factor is increases with increasing temperature similar to the theoretical solution due to the influence of the modulus of elasticity and the difference in life estimation with the experimental output record is related to the input data made of theoretical physical properties and the experimental stress-life data.

Multidisciplinary analysis and design of printed wiring boards

NASA Astrophysics Data System (ADS)

Fulton, Robert E.; Hughes, Joseph L.; Scott, Waymond R., Jr.; Umeagukwu, Charles; Yeh, Chao-Pin

1991-04-01

Modern printed wiring board design depends on electronic prototyping using computer-based simulation and design tools. Existing electrical computer-aided design (ECAD) tools emphasize circuit connectivity with only rudimentary analysis capabilities. This paper describes a prototype integrated PWB design environment denoted Thermal Structural Electromagnetic Testability (TSET) being developed at Georgia Tech in collaboration with companies in the electronics industry. TSET provides design guidance based on enhanced electrical and mechanical CAD capabilities including electromagnetic modeling testability analysis thermal management and solid mechanics analysis. TSET development is based on a strong analytical and theoretical science base and incorporates an integrated information framework and a common database design based on a systematic structured methodology.

Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin

NASA Astrophysics Data System (ADS)

Durlak, Piotr; Berski, Sławomir; Latajka, Zdzisław

2016-01-01

The molecular structure, conformational preferences, topological and vibrational analysis of allicin has been investigated at two different approaches. Calculations have been carried out on static (DFT and MP2) levels with an assortment of Dunning's basis sets and dynamic CPMD simulations. In this both case within the isolated molecule approximation. The results point out that at least twenty different conformers coexist on the PES as confirmed by the flexible character of this molecule. The topological analysis of ELF showed very similar nature of the Ssbnd S and Ssbnd O bonds. The infrared spectrum has been calculated, and a comparative vibrational analysis has been performed.

Carbon isotope composition of ambient CO2 and recycling: a matrix simulation model

USGS Publications Warehouse

da Silveira Lobo Sternberg, Leonel; DeAngelis, Donald L.

2002-01-01

The relationship between isotopic composition and concentration of ambient CO2 in a canopy and its associated convective boundary layer was modeled. The model divides the canopy and convective boundary layer into several layers. Photosynthesis, respiration, and exchange between each layer can be simulated by matrix equations. This simulation can be used to calculate recycling; defined here as the amount of respired CO2 re-fixed by photosynthesis relative to the total amount of respired CO2. At steady state the matrix equations can be solved for the canopy and convective boundary layer CO2 concentration and isotopic profile, which can be used to calculate a theoretical recycling index according to a previously developed equation. There is complete agreement between simulated and theoretical recycling indices for different exchange scenarios. Recycling indices from a simulation of gas exchange between a heterogeneous vegetation canopy and the troposphere also agreed with a more generalized form of the theoretical recycling equation developed here.

IRFK2D: a computer program for simulating intrinsic random functions of order k

NASA Astrophysics Data System (ADS)

Pardo-Igúzquiza, Eulogio; Dowd, Peter A.

2003-07-01

IRFK2D is an ANSI Fortran-77 program that generates realizations of an intrinsic function of order k (with k equal to 0, 1 or 2) with a permissible polynomial generalized covariance model. The realizations may be non-conditional or conditioned to the experimental data. The turning bands method is used to generate realizations in 2D and 3D from simulations of an intrinsic random function of order k along lines that span the 2D or 3D space. The program generates two output files, the first containing the simulated values and the second containing the theoretical generalized variogram for different directions together with the theoretical model. The experimental variogram is calculated from the simulated values while the theoretical variogram is the specified generalized covariance model. The generalized variogram is used to assess the quality of the simulation as measured by the extent to which the generalized covariance is reproduced by the simulation. The examples given in this paper indicate that IRFK2D is an efficient implementation of the methodology.

Studies of ZVS soft switching of dual-active-bridge isolated bidirectional DC-DC converters

NASA Astrophysics Data System (ADS)

Xu, Fei; Zhao, Feng; Shi, Qibiao; Wen, Xuhui

2018-05-01

To operate dual-active-bridge isolated bidirectional dc- dc converter (DAB) at high efficiency, the two bridge switches must operate with Zero-Voltage-Switching (ZVS) over as wide an operating range as possible. This paper proposes a new perspective on realizing ZVS in dead-time. An exact theoretical analysis and mathematical mode is built to explain the process of ZVS switching in dead-time under Single Phase Shift (SPS) control strategy. In order to assure the two bridge switches operate on soft switching, every SPS switching point is analyzed. Generally, dead-time will be determined when the power electronic devices is selected. The key factor to realizing ZVS is the size of the end time of resonance comparing to dead-time. Through detailed analysis, it can obtain the conditions of all switches achieving ZVS turn-on and turn-off. Finally, simulation validates the theoretical analysis and some advice are given to realize the ZVS soft switching.

Circularly-symmetric complex normal ratio distribution for scalar transmissibility functions. Part III: Application to statistical modal analysis

NASA Astrophysics Data System (ADS)

Yan, Wang-Ji; Ren, Wei-Xin

2018-01-01

This study applies the theoretical findings of circularly-symmetric complex normal ratio distribution Yan and Ren (2016) [1,2] to transmissibility-based modal analysis from a statistical viewpoint. A probabilistic model of transmissibility function in the vicinity of the resonant frequency is formulated in modal domain, while some insightful comments are offered. It theoretically reveals that the statistics of transmissibility function around the resonant frequency is solely dependent on 'noise-to-signal' ratio and mode shapes. As a sequel to the development of the probabilistic model of transmissibility function in modal domain, this study poses the process of modal identification in the context of Bayesian framework by borrowing a novel paradigm. Implementation issues unique to the proposed approach are resolved by Lagrange multiplier approach. Also, this study explores the possibility of applying Bayesian analysis in distinguishing harmonic components and structural ones. The approaches are verified through simulated data and experimentally testing data. The uncertainty behavior due to variation of different factors is also discussed in detail.

Analysis of redox additive-based overcharge protection for rechargeable lithium batteries

NASA Technical Reports Server (NTRS)

Narayanan, S. R.; Surampudi, S.; Attia, A. I.; Bankston, C. P.

1991-01-01

The overcharge condition in secondary lithium batteries employing redox additives for overcharge protection, has been theoretically analyzed in terms of a finite linear diffusion model. The analysis leads to expressions relating the steady-state overcharge current density and cell voltage to the concentration, diffusion coefficient, standard reduction potential of the redox couple, and interelectrode distance. The model permits the estimation of the maximum permissible overcharge rate for any chosen set of system conditions. Digital simulation of the overcharge experiment leads to numerical representation of the potential transients, and estimate of the influence of diffusion coefficient and interelectrode distance on the transient attainment of the steady state during overcharge. The model has been experimentally verified using 1,1-prime-dimethyl ferrocene as a redox additive. The analysis of the experimental results in terms of the theory allows the calculation of the diffusion coefficient and the formal potential of the redox couple. The model and the theoretical results may be exploited in the design and optimization of overcharge protection by the redox additive approach.

Effects of small variations of speed of sound in optoacoustic tomographic imaging

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

Deán-Ben, X. Luís; Ntziachristos, Vasilis; Razansky, Daniel, E-mail: dr@tum.de

2014-07-15

Purpose: Speed of sound difference in the imaged object and surrounding coupling medium may reduce the resolution and overall quality of optoacoustic tomographic reconstructions obtained by assuming a uniform acoustic medium. In this work, the authors investigate the effects of acoustic heterogeneities and discuss potential benefits of accounting for those during the reconstruction procedure. Methods: The time shift of optoacoustic signals in an acoustically heterogeneous medium is studied theoretically by comparing different continuous and discrete wave propagation models. A modification of filtered back-projection reconstruction is subsequently implemented by considering a straight acoustic rays model for ultrasound propagation. The results obtainedmore » with this reconstruction procedure are compared numerically and experimentally to those obtained assuming a heuristically fitted uniform speed of sound in both full-view and limited-view optoacoustic tomography scenarios. Results: The theoretical analysis showcases that the errors in the time-of-flight of the signals predicted by considering the straight acoustic rays model tend to be generally small. When using this model for reconstructing simulated data, the resulting images accurately represent the theoretical ones. On the other hand, significant deviations in the location of the absorbing structures are found when using a uniform speed of sound assumption. The experimental results obtained with tissue-mimicking phantoms and a mouse postmortem are found to be consistent with the numerical simulations. Conclusions: Accurate analysis of effects of small speed of sound variations demonstrates that accounting for differences in the speed of sound allows improving optoacoustic reconstruction results in realistic imaging scenarios involving acoustic heterogeneities in tissues and surrounding media.« less

Synthesis and spectroscopical study of rhodanine derivative using DFT approaches

NASA Astrophysics Data System (ADS)

Anbarasan, R.; Dhandapani, A.; Manivarman, S.; Subashchandrabose, S.; Saleem, H.

2015-07-01

The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of (E)-5-benzylidene-2-thioxothiazolidine-4-one (E5BTTO) have been investigated experimentally and theoretically based on Density Functional Theory (DFT) approach. The FT-Raman and FT-IR spectra of E5BTTO were recorded in solid phase. Theoretical calculations were performed at the DFT level using the Gaussian 03 program. The experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumber by their Total Energy Distribution (TED). The results of the calculation were applied to simulate infrared and raman spectra of the title compound which showed good agreement with the observed spectra. The calculated HOMO and LUMO energies show that charge transfer occur within the molecule. Stability arising from hyperconjugative interactions leading to its NLO activity and charge delocalization were analyzed using Natural Bond Orbital (NBO) analysis.

Delay-feedback control strategy for reducing CO2 emission of traffic flow system

NASA Astrophysics Data System (ADS)

Zhang, Li-Dong; Zhu, Wen-Xing

2015-06-01

To study the signal control strategy for reducing traffic emission theoretically, we first presented a kind of discrete traffic flow model with relative speed term based on traditional coupled map car-following model. In the model, the relative speed difference between two successive running cars is incorporated into following vehicle's acceleration running equation. Then we analyzed its stability condition with discrete control system stability theory. Third, we designed a delay-feedback controller to suppress traffic jam and decrease traffic emission based on modern controller theory. Last, numerical simulations are made to support our theoretical results, including the comparison of models' stability analysis, the influence of model type and signal control on CO2 emissions. The results show that the temporal behavior of our model is superior to other models, and the traffic signal controller has good effect on traffic jam suppression and traffic CO2 emission, which fully supports the theoretical conclusions.

Solutions of burnt-bridge models for molecular motor transport.

PubMed

Morozov, Alexander Yu; Pronina, Ekaterina; Kolomeisky, Anatoly B; Artyomov, Maxim N

2007-03-01

Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (called "bridges"), is investigated theoretically by analyzing discrete-state stochastic "burnt-bridge" models. When an unbiased diffusing particle crosses the bridge, the link can be destroyed ("burned") with a probability p , creating a biased directed motion for the particle. It is shown that for probability of burning p=1 the system can be mapped into a one-dimensional single-particle hopping model along the periodic infinite lattice that allows one to calculate exactly all dynamic properties. For the general case of p<1 a theoretical method is developed and dynamic properties are computed explicitly. Discrete-time and continuous-time dynamics for periodic distribution of bridges and different burning dynamics are analyzed and compared. Analytical predictions are supported by extensive Monte Carlo computer simulations. Theoretical results are applied for analysis of the experiments on collagenase motor proteins.

Analysis of Vibrational Harmonic Response for Printing Double-Sheet Detecting System via ANSYS

NASA Astrophysics Data System (ADS)

Guo, Qiang; Cai, Ji-Fei; Wang, Yan; Zhang, Yang

In order to explore the influence of the harmonic response of system vibration upon the stability of the double-sheet detector system, the mathematical model of vibrational system is established via the mechanical dynamic theory. Vibrational system of double-sheet detector is studied by theoretical modeling, and the dynamic simulation to obtain the amplitude/phase frequency response curve of the system based on ANSYS is completed to make a comparison with the theoretical results. It is shown that the theoretical value is basically consistent with that calculated through ANSYS. Conclusion vibrational characteristics of double-sheet detection system is obtained quickly and accurately, and propound solving measures by some crucial factors, such as the harmonic load, mass and stiffness, which will affect the vibration of the system, contribute to the finite element method is applied to the complex multiple-degree-of-freedom system.

Solutions of burnt-bridge models for molecular motor transport

NASA Astrophysics Data System (ADS)

Morozov, Alexander Yu.; Pronina, Ekaterina; Kolomeisky, Anatoly B.; Artyomov, Maxim N.

2007-03-01

Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (called “bridges”), is investigated theoretically by analyzing discrete-state stochastic “burnt-bridge” models. When an unbiased diffusing particle crosses the bridge, the link can be destroyed (“burned”) with a probability p , creating a biased directed motion for the particle. It is shown that for probability of burning p=1 the system can be mapped into a one-dimensional single-particle hopping model along the periodic infinite lattice that allows one to calculate exactly all dynamic properties. For the general case of p<1 a theoretical method is developed and dynamic properties are computed explicitly. Discrete-time and continuous-time dynamics for periodic distribution of bridges and different burning dynamics are analyzed and compared. Analytical predictions are supported by extensive Monte Carlo computer simulations. Theoretical results are applied for analysis of the experiments on collagenase motor proteins.

Adaptively resizing populations: Algorithm, analysis, and first results

NASA Technical Reports Server (NTRS)

Smith, Robert E.; Smuda, Ellen

1993-01-01

Deciding on an appropriate population size for a given Genetic Algorithm (GA) application can often be critical to the algorithm's success. Too small, and the GA can fall victim to sampling error, affecting the efficacy of its search. Too large, and the GA wastes computational resources. Although advice exists for sizing GA populations, much of this advice involves theoretical aspects that are not accessible to the novice user. An algorithm for adaptively resizing GA populations is suggested. This algorithm is based on recent theoretical developments that relate population size to schema fitness variance. The suggested algorithm is developed theoretically, and simulated with expected value equations. The algorithm is then tested on a problem where population sizing can mislead the GA. The work presented suggests that the population sizing algorithm may be a viable way to eliminate the population sizing decision from the application of GA's.

Can one trust quantum simulators?

NASA Astrophysics Data System (ADS)

Hauke, Philipp; Cucchietti, Fernando M.; Tagliacozzo, Luca; Deutsch, Ivan; Lewenstein, Maciej

2012-08-01

Various fundamental phenomena of strongly correlated quantum systems such as high-Tc superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int. J. Theor. Phys. 21 467), Richard Feynman suggested that such models might be solved by ‘simulation’ with a new type of computer whose constituent parts are effectively governed by a desired quantum many-body dynamics. Measurements on this engineered machine, now known as a ‘quantum simulator,’ would reveal some unknown or difficult to compute properties of a model of interest. We argue that a useful quantum simulator must satisfy four conditions: relevance, controllability, reliability and efficiency. We review the current state of the art of digital and analog quantum simulators. Whereas so far the majority of the focus, both theoretically and experimentally, has been on controllability of relevant models, we emphasize here the need for a careful analysis of reliability and efficiency in the presence of imperfections. We discuss how disorder and noise can impact these conditions, and illustrate our concerns with novel numerical simulations of a paradigmatic example: a disordered quantum spin chain governed by the Ising model in a transverse magnetic field. We find that disorder can decrease the reliability of an analog quantum simulator of this model, although large errors in local observables are introduced only for strong levels of disorder. We conclude that the answer to the question ‘Can we trust quantum simulators?’ is … to some extent.

Thermal Stabilization of Dihydrofolate Reductase Using Monte Carlo Unfolding Simulations and Its Functional Consequences

PubMed Central

Whitney, Anna; Shakhnovich, Eugene I.

2015-01-01

Design of proteins with desired thermal properties is important for scientific and biotechnological applications. Here we developed a theoretical approach to predict the effect of mutations on protein stability from non-equilibrium unfolding simulations. We establish a relative measure based on apparent simulated melting temperatures that is independent of simulation length and, under certain assumptions, proportional to equilibrium stability, and we justify this theoretical development with extensive simulations and experimental data. Using our new method based on all-atom Monte-Carlo unfolding simulations, we carried out a saturating mutagenesis of Dihydrofolate Reductase (DHFR), a key target of antibiotics and chemotherapeutic drugs. The method predicted more than 500 stabilizing mutations, several of which were selected for detailed computational and experimental analysis. We find a highly significant correlation of r = 0.65–0.68 between predicted and experimentally determined melting temperatures and unfolding denaturant concentrations for WT DHFR and 42 mutants. The correlation between energy of the native state and experimental denaturation temperature was much weaker, indicating the important role of entropy in protein stability. The most stabilizing point mutation was D27F, which is located in the active site of the protein, rendering it inactive. However for the rest of mutations outside of the active site we observed a weak yet statistically significant positive correlation between thermal stability and catalytic activity indicating the lack of a stability-activity tradeoff for DHFR. By combining stabilizing mutations predicted by our method, we created a highly stable catalytically active E. coli DHFR mutant with measured denaturation temperature 7.2°C higher than WT. Prediction results for DHFR and several other proteins indicate that computational approaches based on unfolding simulations are useful as a general technique to discover stabilizing mutations. PMID:25905910

A Prototyping Effort for the Integrated Spacecraft Analysis System

NASA Technical Reports Server (NTRS)

Wong, Raymond; Tung, Yu-Wen; Maldague, Pierre

2011-01-01

Computer modeling and simulation has recently become an essential technique for predicting and validating spacecraft performance. However, most computer models only examine spacecraft subsystems, and the independent nature of the models creates integration problems, which lowers the possibilities of simulating a spacecraft as an integrated unit despite a desire for this type of analysis. A new project called Integrated Spacecraft Analysis was proposed to serve as a framework for an integrated simulation environment. The project is still in its infancy, but a software prototype would help future developers assess design issues. The prototype explores a service oriented design paradigm that theoretically allows programs written in different languages to communicate with one another. It includes creating a uniform interface to the SPICE libraries such that different in-house tools like APGEN or SEQGEN can exchange information with it without much change. Service orientation may result in a slower system as compared to a single application, and more research needs to be done on the different available technologies, but a service oriented approach could increase long term maintainability and extensibility.

Computational carbohydrate chemistry: what theoretical methods can tell us

PubMed Central

Woods, Robert J.

2014-01-01

Computational methods have had a long history of application to carbohydrate systems and their development in this regard is discussed. The conformational analysis of carbohydrates differs in several ways from that of other biomolecules. Many glycans appear to exhibit numerous conformations coexisting in solution at room temperature and a conformational analysis of a carbohydrate must address both spatial and temporal properties. When solution nuclear magnetic resonance data are used for comparison, the simulation must give rise to ensemble-averaged properties. In contrast, when comparing to experimental data obtained from crystal structures a simulation of a crystal lattice, rather than of an isolated molecule, is appropriate. Molecular dynamics simulations are well suited for such condensed phase modeling. Interactions between carbohydrates and other biological macromolecules are also amenable to computational approaches. Having obtained a three-dimensional structure of the receptor protein, it is possible to model with accuracy the conformation of the carbohydrate in the complex. An example of the application of free energy perturbation simulations to the prediction of carbohydrate-protein binding energies is presented. PMID:9579797

Trimming algorithm of frequency modulation for CIAE-230 MeV proton superconducting synchrocyclotron model cavity

NASA Astrophysics Data System (ADS)

Li, Pengzhan; Zhang, Tianjue; Ji, Bin; Hou, Shigang; Guo, Juanjuan; Yin, Meng; Xing, Jiansheng; Lv, Yinlong; Guan, Fengping; Lin, Jun

2017-01-01

A new project, the 230 MeV proton superconducting synchrocyclotron for cancer therapy, was proposed at CIAE in 2013. A model cavity is designed to verify the frequency modulation trimming algorithm featuring a half-wave structure and eight sets of rotating blades for 1 kHz frequency modulation. Based on the electromagnetic (EM) field distribution analysis of the model cavity, the variable capacitor works as a function of time and the frequency can be written in Maclaurin series. Curve fitting is applied for theoretical frequency and original simulation frequency. The second-order fitting excels at the approximation given its minimum variance. Constant equivalent inductance is considered as an important condition in the calculation. The equivalent parameters of theoretical frequency can be achieved through this conversion. Then the trimming formula for rotor blade outer radius is found by discretization in time domain. Simulation verification has been performed and the results show that the calculation radius with minus 0.012 m yields an acceptable result. The trimming amendment in the time range of 0.328-0.4 ms helps to reduce the frequency error to 0.69% in Simulation C with an increment of 0.075 mm/0.001 ms, which is half of the error in Simulation A (constant radius in 0.328-0.4 ms). The verification confirms the feasibility of the trimming algorithm for synchrocyclotron frequency modulation.

Vlasov Simulation of Electrostatic Solitary Structures in Multi-Component Plasmas

NASA Technical Reports Server (NTRS)

Umeda, Takayuki; Ashour-Abdalla, Maha; Pickett, Jolene S.; Goldstein, Melvyn L.

2012-01-01

Electrostatic solitary structures have been observed in the Earth's magnetosheath by the Cluster spacecraft. Recent theoretical work has suggested that these solitary structures are modeled by electron acoustic solitary waves existing in a four-component plasma system consisting of core electrons, two counter-streaming electron beams, and one species of background ions. In this paper, the excitation of electron acoustic waves and the formation of solitary structures are studied by means of a one-dimensional electrostatic Vlasov simulation. The present result first shows that either electron acoustic solitary waves with negative potential or electron phase-space holes with positive potential are excited in four-component plasma systems. However, these electrostatic solitary structures have longer duration times and higher wave amplitudes than the solitary structures observed in the magnetosheath. The result indicates that a high-speed and small free energy source may be needed as a fifth component. An additional simulation of a five-component plasma consisting of a stable four-component plasma and a weak electron beam shows the generation of small and fast electron phase-space holes by the bump-on-tail instability. The physical properties of the small and fast electron phase-space holes are very similar to those obtained by the previous theoretical analysis. The amplitude and duration time of solitary structures in the simulation are also in agreement with the Cluster observation.

Large eddy simulation of pollutant gas dispersion with buoyancy ejected from building into an urban street canyon.

PubMed

Hu, L H; Xu, Y; Zhu, W; Wu, L; Tang, F; Lu, K H

2011-09-15

The dispersion of buoyancy driven smoke soot and carbon monoxide (CO) gas, which was ejected out from side building into an urban street canyon with aspect ratio of 1 was investigated by large eddy simulation (LES) under a perpendicular wind flow. Strong buoyancy effect, which has not been revealed before, on such pollution dispersion in the street canyon was studied. The buoyancy release rate was 5 MW. The wind speed concerned ranged from 1 to 7.5m/s. The characteristics of flow pattern, distribution of smoke soot and temperature, CO concentration were revealed by the LES simulation. Dimensionless Froude number (Fr) was firstly introduced here to characterize the pollutant dispersion with buoyancy effect counteracting the wind. It was found that the flow pattern can be well categorized into three regimes. A regular characteristic large vortex was shown for the CO concentration contour when the wind velocity was higher than the critical re-entrainment value. A new formula was theoretically developed to show quantitatively that the critical re-entrainment wind velocities, u(c), for buoyancy source at different floors, were proportional to -1/3 power of the characteristic height. LES simulation results agreed well with theoretical analysis. The critical Froude number was found to be constant of 0.7. Copyright © 2010 Elsevier B.V. All rights reserved.

Geometric characterization and simulation of planar layered elastomeric fibrous biomaterials

PubMed Central

Carleton, James B.; D'Amore, Antonio; Feaver, Kristen R.; Rodin, Gregory J.; Sacks, Michael S.

2014-01-01

Many important biomaterials are composed of multiple layers of networked fibers. While there is a growing interest in modeling and simulation of the mechanical response of these biomaterials, a theoretical foundation for such simulations has yet to be firmly established. Moreover, correctly identifying and matching key geometric features is a critically important first step for performing reliable mechanical simulations. The present work addresses these issues in two ways. First, using methods of geometric probability we develop theoretical estimates for the mean linear and areal fiber intersection densities for two-dimensional fibrous networks. These densities are expressed in terms of the fiber density and the orientation distribution function, both of which are relatively easy-to-measure properties. Secondly, we develop a random walk algorithm for geometric simulation of two-dimensional fibrous networks which can accurately reproduce the prescribed fiber density and orientation distribution function. Furthermore, the linear and areal fiber intersection densities obtained with the algorithm are in agreement with the theoretical estimates. Both theoretical and computational results are compared with those obtained by post-processing of SEM images of actual scaffolds. These comparisons reveal difficulties inherent to resolving fine details of multilayered fibrous networks. The methods provided herein can provide a rational means to define and generate key geometric features from experimentally measured or prescribed scaffold structural data. PMID:25311685

LASER METHODS IN BIOLOGY: Optical anisotropy of fibrous biological tissues: analysis of the influence of structural properties

NASA Astrophysics Data System (ADS)

Zimnyakov, D. A.; Sinichkin, Yu P.; Ushakova, O. V.

2007-08-01

The results of theoretical analysis of the optical anisotropy of multiply scattering fibrillar biological tissues based on the model of an effective anisotropic medium are compared with the experimental in vivo birefringence data for the rat derma obtained earlier in spectral polarisation measurements of rat skin samples in the visible region. The disordered system of parallel dielectric cylinders embedded into an isotropic dielectric medium was considered as a model medium. Simulations were performed taking into account the influence of a partial mutual disordering of the bundles of collagen and elastin fibres in derma on birefringence in samples. The theoretical optical anisotropy averaged over the spectral interval 550-650 nm for the model medium with parameters corresponding to the structural parameters of derma is in good agreement with the results of spectral polarisation measurements of skin samples in the corresponding wavelength range.

Analysis and testing of a new method for drop size measurement using laser scatter interferometry

NASA Technical Reports Server (NTRS)

Bachalo, W. D.; Houser, M. J.

1984-01-01

Research was conducted on a laser light scatter detection method for measuring the size and velocity of spherical particles. The method is based upon the measurement of the interference fringe pattern produced by spheres passing through the intersection of two laser beams. A theoretical analysis of the method was carried out using the geometrical optics theory. Experimental verification of the theory was obtained by using monodisperse droplet streams. Several optical configurations were tested to identify all of the parametric effects upon the size measurements. Both off-axis forward and backscatter light detection were utilized. Simulated spray environments and fuel spray nozzles were used in the evaluation of the method. The measurements of the monodisperse drops showed complete agreement with the theoretical predictions. The method was demonstrated to be independent of the beam intensity and extinction resulting from the surrounding drops. Signal processing concepts were considered and a method was selected for development.

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

NASA Astrophysics Data System (ADS)

Guo, Lei; Safi, Zaki S.; Kaya, Savas; Shi, Wei; Tüzün, Burak; Altunay, Nail; Kaya, Cemal

2018-05-01

It is known that iron is one of the most widely used metals in industrial production. In this work, the inhibition performances of three thiophene derivatives on the corrosion of iron were investigated in the light of several theoretical approaches. In the section including DFT calculations, several global reactivity descriptors such as EHOMO, ELUMO, ionization energy (I), electron affinity (A), HOMO-LUMO energy gap (ΔE), chemical hardness (η), softness (σ), as well as local reactivity descriptors like Fukui indices, local softness, and local electrophilicity were considered and discussed. The adsorption behaviors of considered thiophene derivatives on Fe(110) surface were investigated using molecular dynamics simulation approach. To determine the most active corrosion inhibitor among studied thiophene derivatives, we used the principle component analysis (PCA) and agglomerative hierarchical cluster analysis (AHCA). Accordingly, all data obtained using various theoretical calculation techniques are consistent with experiments.

Theoretical prediction of the impact of Auger recombination on charge collection from an ion track

NASA Technical Reports Server (NTRS)

Edmonds, Larry D.

1991-01-01

A recombination mechanism that significantly reduces charge collection from very dense ion tracks in silicon devices was postulated by Zoutendyk et al. The theoretical analysis presented here concludes that Auger recombination is such a mechanism and is of marginal importance for higher density tracks produced by 270-MeV krypton, but of major importance for higher density tracks. The analysis shows that recombination loss is profoundly affected by track diffusion. As the track diffuses, the density and recombination rate decrease so fast that the linear density (number of electron-hole pairs per unit length) approaches a non-zero limiting value as t yields infinity. Furthermore, the linear density is very nearly equal to this limiting value in a few picoseconds or less. When Auger recombination accompanies charge transport processes that have much longer time scales, it can be simulated by assigning a reduced linear energy transfer to the ion.

Theoretical and experimental analysis of the impact on ablation depth of microchannel milling using femtosecond laser

NASA Astrophysics Data System (ADS)

Lei, Chen; Pan, Zhang; Jianxiong, Chen; Tu, Yiliu

2018-04-01

The plasma brightness cannot be used as a direct indicator of ablation depth detection by femtosecond laser was experimentally demonstrated, which led to the difficulty of depth measurement in the maching process. The tests of microchannel milling on the silicon wafer were carried out in the micromachining center in order to obtain the influences of parameters on the ablation depth. The test results showed that the defocusing distance had no significant impact on ablation depth in LAV effective range. Meanwhile, the reason of this was explained in this paper based on the theoretical analysis and simulation calculation. Then it was proven that the ablation depth mainly depends on laser fluence, step distance and scanning velocity. Finally, a research was further carried out to study the laser parameters which relate with the microchannel ablation depth inside the quartz glass for more efficiency and less cost in processing by femtosecond laser.

Simulation teaching method in Engineering Optics

NASA Astrophysics Data System (ADS)

Lu, Qieni; Wang, Yi; Li, Hongbin

2017-08-01

We here introduce a pedagogical method of theoretical simulation as one major means of the teaching process of "Engineering Optics" in course quality improvement action plan (Qc) in our school. Students, in groups of three to five, complete simulations of interference, diffraction, electromagnetism and polarization of light; each student is evaluated and scored in light of his performance in the interviews between the teacher and the student, and each student can opt to be interviewed many times until he is satisfied with his score and learning. After three years of Qc practice, the remarkable teaching and learning effect is obatined. Such theoretical simulation experiment is a very valuable teaching method worthwhile for physical optics which is highly theoretical and abstruse. This teaching methodology works well in training students as to how to ask questions and how to solve problems, which can also stimulate their interest in research learning and their initiative to develop their self-confidence and sense of innovation.

Spectral analysis for nonstationary and nonlinear systems: a discrete-time-model-based approach.

PubMed

He, Fei; Billings, Stephen A; Wei, Hua-Liang; Sarrigiannis, Ptolemaios G; Zhao, Yifan

2013-08-01

A new frequency-domain analysis framework for nonlinear time-varying systems is introduced based on parametric time-varying nonlinear autoregressive with exogenous input models. It is shown how the time-varying effects can be mapped to the generalized frequency response functions (FRFs) to track nonlinear features in frequency, such as intermodulation and energy transfer effects. A new mapping to the nonlinear output FRF is also introduced. A simulated example and the application to intracranial electroencephalogram data are used to illustrate the theoretical results.

Active control of sound transmission through a double panel partition

NASA Astrophysics Data System (ADS)

Sas, P.; Bao, C.; Augusztinovicz, F.; Desmet, W.

1995-03-01

The feasibility of improving the insertion loss of lightweight double panel partitions by using small loudspeakers as active noise control sources inside the air gap between both panels of the partition is investigated analytically, numerically and experimentally in this paper. A theoretical analysis of the mechanisms of the fluid-structure interaction of double panel structures is presented in order to gain insight into the physical phenomena underlying the behaviour of a coupled vibro-acoustic system controlled by active methods. The analysis, based on modal coupling theory, enables one to derive some qualitative predictions concerning the potentials and limitations of the proposed approach. The theoretical analysis is valid only for geometrically simple structures. For more complex geometries, numerical simulations are required. Therefore the potential use of active noise control inside double panel structures has been analyzed by using coupled finite element and boundary element methods. To verify the conclusions drawn from the theoretical analysis and the numerical calculation and, above all, to demonstrate the potential of the proposed approach, experiments have been conducted with a laboratory set-up. The performance of the proposed approach was evaluated in terms of relative insertion loss measurements. It is shown that a considerable improvement of the insertion loss has been achieved around the lightly damped resonances of the system for the frequency range investigated (60-220 Hz).

Crystal growth, characterization and theoretical studies of 4-aminopyridinium picrate

NASA Astrophysics Data System (ADS)

Aditya Prasad, A.; Muthu, K.; Rajasekar, M.; Meenatchi, V.; Meenakshisundaram, S. P.

2015-01-01

Single crystals of 4-aminopyridinium picrate (APP) were grown by slow evaporation of a mixed solvent system methanol-acetone (1:1, v/v) containing equimolar quantities of 4-aminopyridine and picric acid. Structure is elucidated by single crystal XRD analysis and the crystal belongs to monoclinic system with four molecules in the unit cell (space group P21/c) and the cell parameter values are, a = 8.513 Å (±0.015), b = 11.33 Å (±0.02), c = 14.33 Å (±0.03) and β = 104.15° (±0.019), V = 1340 A3 (±6) with refined R factors R1 = 0.0053 and wR2 = 0.0126. The electron density mapping is interpreted to find coordinates for each atom in the crystallized molecules. The various functional groups present in the molecule are confirmed by FT-IR analysis. UV-visible spectral analysis was used to determine the band gap energy of 4-aminopyridinium picrate. Powder X-ray diffraction pattern reveals the crystallinity of the as-grown crystal and it closely resembles the simulated XRD from the single crystal XRD analysis. Scanning electron microscopy reveals the surface morphology of the grown crystal. Optimized geometry is derived by Hartree-Fock theory calculations and the first-order molecular hyperpolarizability (β), theoretically calculated bond length, bond angles and excited state energy from theoretical UV-vis spectrum were estimated.

Rate-distortion analysis of directional wavelets.

PubMed

Maleki, Arian; Rajaei, Boshra; Pourreza, Hamid Reza

2012-02-01

The inefficiency of separable wavelets in representing smooth edges has led to a great interest in the study of new 2-D transformations. The most popular criterion for analyzing these transformations is the approximation power. Transformations with near-optimal approximation power are useful in many applications such as denoising and enhancement. However, they are not necessarily good for compression. Therefore, most of the nearly optimal transformations such as curvelets and contourlets have not found any application in image compression yet. One of the most promising schemes for image compression is the elegant idea of directional wavelets (DIWs). While these algorithms outperform the state-of-the-art image coders in practice, our theoretical understanding of them is very limited. In this paper, we adopt the notion of rate-distortion and calculate the performance of the DIW on a class of edge-like images. Our theoretical analysis shows that if the edges are not "sharp," the DIW will compress them more efficiently than the separable wavelets. It also demonstrates the inefficiency of the quadtree partitioning that is often used with the DIW. To solve this issue, we propose a new partitioning scheme called megaquad partitioning. Our simulation results on real-world images confirm the benefits of the proposed partitioning algorithm, promised by our theoretical analysis. © 2011 IEEE

Informational analysis for compressive sampling in radar imaging.

PubMed

Zhang, Jingxiong; Yang, Ke

2015-03-24

Compressive sampling or compressed sensing (CS) works on the assumption of the sparsity or compressibility of the underlying signal, relies on the trans-informational capability of the measurement matrix employed and the resultant measurements, operates with optimization-based algorithms for signal reconstruction and is thus able to complete data compression, while acquiring data, leading to sub-Nyquist sampling strategies that promote efficiency in data acquisition, while ensuring certain accuracy criteria. Information theory provides a framework complementary to classic CS theory for analyzing information mechanisms and for determining the necessary number of measurements in a CS environment, such as CS-radar, a radar sensor conceptualized or designed with CS principles and techniques. Despite increasing awareness of information-theoretic perspectives on CS-radar, reported research has been rare. This paper seeks to bridge the gap in the interdisciplinary area of CS, radar and information theory by analyzing information flows in CS-radar from sparse scenes to measurements and determining sub-Nyquist sampling rates necessary for scene reconstruction within certain distortion thresholds, given differing scene sparsity and average per-sample signal-to-noise ratios (SNRs). Simulated studies were performed to complement and validate the information-theoretic analysis. The combined strategy proposed in this paper is valuable for information-theoretic orientated CS-radar system analysis and performance evaluation.

Fractal analysis of multiscale spatial autocorrelation among point data

USGS Publications Warehouse

De Cola, L.

1991-01-01

The analysis of spatial autocorrelation among point-data quadrats is a well-developed technique that has made limited but intriguing use of the multiscale aspects of pattern. In this paper are presented theoretical and algorithmic approaches to the analysis of aggregations of quadrats at or above a given density, in which these sets are treated as multifractal regions whose fractal dimension, D, may vary with phenomenon intensity, scale, and location. The technique is illustrated with Matui's quadrat house-count data, which yield measurements consistent with a nonautocorrelated simulated Poisson process but not with an orthogonal unit-step random walk. The paper concludes with a discussion of the implications of such analysis for multiscale geographic analysis systems. -Author

Thermal Dissociation and Roaming Isomerization of Nitromethane: Experiment and Theory.

PubMed

Annesley, Christopher J; Randazzo, John B; Klippenstein, Stephen J; Harding, Lawrence B; Jasper, Ahren W; Georgievskii, Yuri; Ruscic, Branko; Tranter, Robert S

2015-07-16

The thermal decomposition of nitromethane provides a classic example of the competition between roaming mediated isomerization and simple bond fission. A recent theoretical analysis suggests that as the pressure is increased from 2 to 200 Torr the product distribution undergoes a sharp transition from roaming dominated to bond-fission dominated. Laser schlieren densitometry is used to explore the variation in the effect of roaming on the density gradients for CH3NO2 decomposition in a shock tube for pressures of 30, 60, and 120 Torr at temperatures ranging from 1200 to 1860 K. A complementary theoretical analysis provides a novel exploration of the effects of roaming on the thermal decomposition kinetics. The analysis focuses on the roaming dynamics in a reduced dimensional space consisting of the rigid-body motions of the CH3 and NO2 radicals. A high-level reduced-dimensionality potential energy surface is developed from fits to large-scale multireference ab initio calculations. Rigid body trajectory simulations coupled with master equation kinetics calculations provide high-level a priori predictions for the thermal branching between roaming and dissociation. A statistical model provides a qualitative/semiquantitative interpretation of the results. Modeling efforts explore the relation between the predicted roaming branching and the observed gradients. Overall, the experiments are found to be fairly consistent with the theoretically proposed branching ratio, but they are also consistent with a no-roaming scenario and the underlying reasons are discussed. The theoretical predictions are also compared with prior theoretical predictions, with a related statistical model, and with the extant experimental data for the decomposition of CH3NO2, and for the reaction of CH3 with NO2.

Tailored Rh surface facilitates, enhancement of Raman scattering in trimetallic AuPt core/Rh shell composites: Experimental and theoretical evidences

NASA Astrophysics Data System (ADS)

Loganathan, B.; Chandraboss, V. L.; Senthilvelan, S.; Karthikeyan, B.

2016-01-01

We present a detailed analysis of surface-enhanced Raman scattering of 7-azaindole and L-cysteine adsorbed on a tailored Rh surface by using experimental and density functional theoretical (DFT) calculations. DFT with the B3LYP/Lanl2DZ basis set was used for the optimization of the ground state geometries and simulation of the surface-enhanced Raman spectrum of probe molecules adsorbed on Rh6 cluster. 7-azaindole and L-cysteine adsorption at the shell interface was ascertained from first-principles. In addition, characterization of synthesized trimetallic AuPt core/Rh shell colloidal nanocomposites has been analyzed by UV-visible spectroscopy, high-resolution transmission and scanning electron microscopy, selected area electron diffraction pattern analysis, energy-dispersive X-ray spectroscopy, atomic force, confocal Raman microscopy, FT-Raman and surface-enhanced Raman spectroscopic analysis. This analysis serves as the first step in gaining an accurate understanding of specific interactions at the interface of organic and biomolecules and to gain knowledge on the surface composition of trimetallic Au/Pt/Rh colloidal nanocomposites.

Analysis and design of a genetic circuit for dynamic metabolic engineering.

PubMed

Anesiadis, Nikolaos; Kobayashi, Hideki; Cluett, William R; Mahadevan, Radhakrishnan

2013-08-16

Recent advances in synthetic biology have equipped us with new tools for bioprocess optimization at the genetic level. Previously, we have presented an integrated in silico design for the dynamic control of gene expression based on a density-sensing unit and a genetic toggle switch. In the present paper, analysis of a serine-producing Escherichia coli mutant shows that an instantaneous ON-OFF switch leads to a maximum theoretical productivity improvement of 29.6% compared to the mutant. To further the design, global sensitivity analysis is applied here to a mathematical model of serine production in E. coli coupled with a genetic circuit. The model of the quorum sensing and the toggle switch involves 13 parameters of which 3 are identified as having a significant effect on serine concentration. Simulations conducted in this reduced parameter space further identified the optimal ranges for these 3 key parameters to achieve productivity values close to the maximum theoretical values. This analysis can now be used to guide the experimental implementation of a dynamic metabolic engineering strategy and reduce the time required to design the genetic circuit components.

Signal recognition and parameter estimation of BPSK-LFM combined modulation

NASA Astrophysics Data System (ADS)

Long, Chao; Zhang, Lin; Liu, Yu

2015-07-01

Intra-pulse analysis plays an important role in electronic warfare. Intra-pulse feature abstraction focuses on primary parameters such as instantaneous frequency, modulation, and symbol rate. In this paper, automatic modulation recognition and feature extraction for combined BPSK-LFM modulation signals based on decision theoretic approach is studied. The simulation results show good recognition effect and high estimation precision, and the system is easy to be realized.

A CLOUDY/XSPEC Interface

NASA Technical Reports Server (NTRS)

Porter, R. L.; Ferland, G. J.; Kraemer, S. B.; Armentrout, B. K.; Arnaud, K. A.; Turner, T. J.

2007-01-01

We discuss new functionality of the spectral simulation code CLOUDY which allows the user to calculate grids with one or more initial parameters varied and formats the predicted spectra in the standard FITS format. These files can then be imported into the x-ray spectral analysis software XSPEC and used as theoretical models for observations. We present and verify a test case. Finally, we consider a few observations and discuss our results.

Optical architecture design for detection of absorbers embedded in visceral fat.

PubMed

Francis, Robert; Florence, James; MacFarlane, Duncan

2014-05-01

Optically absorbing ducts embedded in scattering adipose tissue can be injured during laparoscopic surgery. Non-sequential simulations and theoretical analysis compare optical system configurations for detecting these absorbers. For absorbers in deep scattering volumes, trans-illumination is preferred instead of diffuse reflectance. For improved contrast, a scanning source with a large area detector is preferred instead of a large area source with a pixelated detector.

Optical architecture design for detection of absorbers embedded in visceral fat

PubMed Central

Francis, Robert; Florence, James; MacFarlane, Duncan

2014-01-01

Optically absorbing ducts embedded in scattering adipose tissue can be injured during laparoscopic surgery. Non-sequential simulations and theoretical analysis compare optical system configurations for detecting these absorbers. For absorbers in deep scattering volumes, trans-illumination is preferred instead of diffuse reflectance. For improved contrast, a scanning source with a large area detector is preferred instead of a large area source with a pixelated detector. PMID:24877008

Research on the novel FBG detection system for temperature and strain field distribution

NASA Astrophysics Data System (ADS)

Liu, Zhi-chao; Yang, Jin-hua

2017-10-01

In order to collect the information of temperature and strain field distribution information, the novel FBG detection system was designed. The system applied linear chirped FBG structure for large bandwidth. The structure of novel FBG cover was designed as a linear change in thickness, in order to have a different response at different locations. It can obtain the temperature and strain field distribution information by reflection spectrum simultaneously. The structure of novel FBG cover was designed, and its theoretical function is calculated. Its solution is derived for strain field distribution. By simulation analysis the change trend of temperature and strain field distribution were analyzed in the conditions of different strain strength and action position, the strain field distribution can be resolved. The FOB100 series equipment was used to test the temperature in experiment, and The JSM-A10 series equipment was used to test the strain field distribution in experiment. The average error of experimental results was better than 1.1% for temperature, and the average error of experimental results was better than 1.3% for strain. There were individual errors when the strain was small in test data. It is feasibility by theoretical analysis, simulation calculation and experiment, and it is very suitable for application practice.

Theoretical analysis and simulation study of the deep overcompression mode of velocity bunching for a comblike electron bunch train

NASA Astrophysics Data System (ADS)

Wang, Dan; Yan, Lixin; Du, YingChao; Huang, Wenhui; Gai, Wei; Tang, Chuanxiang

2018-02-01

Premodulated comblike electron bunch trains are used in a wide range of research fields, such as for wakefield-based particle acceleration and tunable radiation sources. We propose an optimized compression scheme for bunch trains in which a traveling wave accelerator tube and a downstream drift segment are together used as a compressor. When the phase injected into the accelerator tube for the bunch train is set to ≪-10 0 ° , velocity bunching occurs in a deep overcompression mode, which reverses the phase space and maintains a velocity difference within the injected beam, thereby giving rise to a compressed comblike electron bunch train after a few-meter-long drift segment; we call this the deep overcompression scheme. The main benefits of this scheme are the relatively large phase acceptance and the uniformity of compression for the bunch train. The comblike bunch train generated via this scheme is widely tunable: For the two-bunch case, the energy and time spacings can be continuously adjusted from +1 to -1 MeV and from 13 to 3 ps, respectively, by varying the injected phase of the bunch train from -22 0 ° to -14 0 ° . Both theoretical analysis and beam dynamics simulations are presented to study the properties of the deep overcompression scheme.

Instability risk analysis and risk assessment system establishment of underground storage caverns in bedded salt rock

NASA Astrophysics Data System (ADS)

Jing, Wenjun; Zhao, Yan

2018-02-01

Stability is an important part of geotechnical engineering research. The operating experiences of underground storage caverns in salt rock all around the world show that the stability of the caverns is the key problem of safe operation. Currently, the combination of theoretical analysis and numerical simulation are the mainly adopts method of reserve stability analysis. This paper introduces the concept of risk into the stability analysis of underground geotechnical structure, and studies the instability of underground storage cavern in salt rock from the perspective of risk analysis. Firstly, the definition and classification of cavern instability risk is proposed, and the damage mechanism is analyzed from the mechanical angle. Then the main stability evaluating indicators of cavern instability risk are proposed, and an evaluation method of cavern instability risk is put forward. Finally, the established cavern instability risk assessment system is applied to the analysis and prediction of cavern instability risk after 30 years of operation in a proposed storage cavern group in the Huai’an salt mine. This research can provide a useful theoretical base for the safe operation and management of underground storage caverns in salt rock.

Local entropy difference upon a substrate binding of a psychrophilic α-amylase and a mesophilic homologue

NASA Astrophysics Data System (ADS)

Kosugi, Takahiro; Hayashi, Shigehiko

2011-01-01

Psychrophilic α-amylase from the antarctic bacterium pseudoalteromonashaloplanktis (AHA) and its mesophilic homologue, porcine pancreatic α-amylase (PPA) are theoretically investigated with molecular dynamics (MD) simulations. We carried out 240-ns MD simulations for four systems, AHA and PPA with/without the bound substrate, and examined protein conformational entropy changes upon the substrate binding. We developed an analysis that decomposes the entropy changes into contributions of individual amino acids, and successfully identified protein regions responsible for the entropy changes. The results provide a molecular insight into the structural flexibilities of those enzymes related to the temperature dependences of the enzymatic activity.

Experimental and numerical research on forging with torsion

NASA Astrophysics Data System (ADS)

Petrov, Mikhail A.; Subich, Vadim N.; Petrov, Pavel A.

2017-10-01

Increasing the efficiency of the technological operations of blank production is closely related to the computer-aided technologies (CAx). On the one hand, the practical result represents reality exactly. On the other hand, the development procedure of new process development demands unrestricted resources, which are limited on the SMEs. The tools of CAx were successfully applied for development of new process of forging with torsion and result analysis as well. It was shown, that the theoretical calculations find the confirmation both in praxis and during numerical simulation. The mostly used constructional materials were under study. The torque angles were stated. The simulated results were evaluated by experimental procedure.

Homogeneous buoyancy-generated turbulence

NASA Technical Reports Server (NTRS)

Batchelor, G. K.; Canuto, V. M.; Chasnov, J. R.

1992-01-01

Using a theoretical analysis of fundamental equations and a numerical simulation of the flow field, the statistically homogeneous motion that is generated by buoyancy forces after the creation of homogeneous random fluctuations in the density of infinite fluid at an initial instant is examined. It is shown that analytical results together with numerical results provide a comprehensive description of the 'birth, life, and death' of buoyancy-generated turbulence. Results of numerical simulations yielded the mean-square density mean-square velocity fluctuations and the associated spectra as functions of time for various initial conditions, and the time required for the mean-square density fluctuation to fall to a specified small value was estimated.

Simulation of Wake Vortex Radiometric Detection via Jet Exhaust Proxy

NASA Technical Reports Server (NTRS)

Daniels, Taumi S.

2015-01-01

This paper describes an analysis of the potential of an airborne hyperspectral imaging IR instrument to infer wake vortices via turbine jet exhaust as a proxy. The goal was to determine the requirements for an imaging spectrometer or radiometer to effectively detect the exhaust plume, and by inference, the location of the wake vortices. The effort examines the gas spectroscopy of the various major constituents of turbine jet exhaust and their contributions to the modeled detectable radiance. Initially, a theoretical analysis of wake vortex proxy detection by thermal radiation was realized in a series of simulations. The first stage used the SLAB plume model to simulate turbine jet exhaust plume characteristics, including exhaust gas transport dynamics and concentrations. The second stage used these plume characteristics as input to the Line By Line Radiative Transfer Model (LBLRTM) to simulate responses from both an imaging IR hyperspectral spectrometer or radiometer. These numerical simulations generated thermal imagery that was compared with previously reported wake vortex temperature data. This research is a continuation of an effort to specify the requirements for an imaging IR spectrometer or radiometer to make wake vortex measurements. Results of the two-stage simulation will be reported, including instrument specifications for wake vortex thermal detection. These results will be compared with previously reported results for IR imaging spectrometer performance.

Simulation and characterization of silicon-based 0.5-MHz ultrasonic nozzles

NASA Astrophysics Data System (ADS)

Song, Y. L.; Tsai, S. C.; Chen, W. J.; Chou, Y. F.; Tseng, T. K.; Tsai, C. S.

2004-01-01

This paper compares the simulation results with the experimental results of impedance analysis and longitudinal vibration measurement of micro-fabricated 0.5 MHz silicon-based ultrasonic nozzles. Impedance analysis serves as a good diagnostic tool for evaluation of longitudinal vibration of the nozzles. Each nozzle is made of a piezoelectric drive section and a silicon-resonator consisting of multiple Fourier horns each with half wavelength design and twice amplitude magnification. The experimental results verified the simulation prediction of one pure longitudinal vibration mode at the resonant frequency in excellent agreement with the design value. Furthermore, at the resonant frequency, the measured longitudinal vibration amplitude gain at the nozzle tip increases as the number of Fourier horns (n) increases in good agreement with the theoretical value of 2n. Using this design, very high vibration amplitude at the nozzle tip can be achieved with no reduction in the tip cross sectional area. Therefore, the required electric drive power should be drastically reduced, decreasing the likelihood of transducer failure in ultrasonic atomization.

Dynamics of protein folding: probing the kinetic network of folding-unfolding transitions with experiment and theory.

PubMed

Buchner, Ginka S; Murphy, Ronan D; Buchete, Nicolae-Viorel; Kubelka, Jan

2011-08-01

The problem of spontaneous folding of amino acid chains into highly organized, biologically functional three-dimensional protein structures continues to challenge the modern science. Understanding how proteins fold requires characterization of the underlying energy landscapes as well as the dynamics of the polypeptide chains in all stages of the folding process. In recent years, important advances toward these goals have been achieved owing to the rapidly growing interdisciplinary interest and significant progress in both experimental techniques and theoretical methods. Improvements in the experimental time resolution led to determination of the timescales of the important elementary events in folding, such as formation of secondary structure and tertiary contacts. Sensitive single molecule methods made possible probing the distributions of the unfolded and folded states and following the folding reaction of individual protein molecules. Discovery of proteins that fold in microseconds opened the possibility of atomic-level theoretical simulations of folding and their direct comparisons with experimental data, as well as of direct experimental observation of the barrier-less folding transition. The ultra-fast folding also brought new questions, concerning the intrinsic limits of the folding rates and experimental signatures of barrier-less "downhill" folding. These problems will require novel approaches for even more detailed experimental investigations of the folding dynamics as well as for the analysis of the folding kinetic data. For theoretical simulations of folding, a main challenge is how to extract the relevant information from overwhelmingly detailed atomistic trajectories. New theoretical methods have been devised to allow a systematic approach towards a quantitative analysis of the kinetic network of folding-unfolding transitions between various configuration states of a protein, revealing the transition states and the associated folding pathways at multiple levels, from atomistic to coarse-grained representations. This article is part of a Special Issue entitled: Protein Dynamics: Experimental and Computational Approaches. Copyright © 2010 Elsevier B.V. All rights reserved.

A review of the liquid metal diffusion data obtained from the space shuttle endeavour mission STS-47 and the space shuttle columbia mission STS-52

NASA Astrophysics Data System (ADS)

Shirkhanzadeh, Morteza

Accurate data of liquid-phase solute diffusion coefficients are required to validate the condensed -matter physics theories. However, the required data accuracy to discriminate between com-peting theoretical models is 1 to 2 percent(1). Smith and Scott (2) have recently used the measured values of diffusion coefficients for Pb-Au in microgravity to validate the theoretical values of the diffusion coefficients derived from molecular dynamics simulations and several Enskog hard sphere models. The microgravity data used was obtained from the liquid diffusion experiments conducted on board the Space Shuttle Endeavour (mission STS-47) and the Space Shuttle Columbia (mission STS-52). Based on the analysis of the results, it was claimed that the measured values of diffusion coefficients were consistent with the theoretical results and that the data fit a linear relationship with a slope slightly greater than predicted by the molecular dynamics simulations. These conclusions, however, contradict the claims made in previous publications (3-5) where it was reported that the microgravity data obtained from the shuttle experiments fit the fluctuation theory (D proportional to T2). A thorough analysis of data will be presented to demonstrate that the widely-reported micro-gravity results obtained from shuttle experiments are not reliable and sufficiantly accurate to discriminate between competing theoretical models. References: 1. J.P. Garandet, G. Mathiak, V. Botton, P. Lehmann and A. Griesche, Int. J. Thermophysics, 25, 249 (2004). 2.P.J. Scott and R.W. Smith, J. Appl. Physics 104, 043706 (2008). 3. R.W. Smith, Microgravity Sci. Technol. XI (2) 78-84 (1998). 4.Smith et al, Ann. N.Y. Acad. Sci. 974:56-67 (2002) (retracted). 5.R.A. Herring et al, J. Jpn. Soc. Microgravity Appl., Vol.16, 234-244 (1999).

Influence of range-gated intensifiers on underwater imaging system SNR

NASA Astrophysics Data System (ADS)

Wang, Xia; Hu, Ling; Zhi, Qiang; Chen, Zhen-yue; Jin, Wei-qi

2013-08-01

Range-gated technology has been a hot research field in recent years due to its high effective back scattering eliminating. As a result, it can enhance the contrast between a target and its background and extent the working distance of the imaging system. The underwater imaging system is required to have the ability to image in low light level conditions, as well as the ability to eliminate the back scattering effect, which means that the receiver has to be high-speed external trigger function, high resolution, high sensitivity, low noise, higher gain dynamic range. When it comes to an intensifier, the noise characteristics directly restrict the observation effect and range of the imaging system. The background noise may decrease the image contrast and sharpness, even covering the signal making it impossible to recognize the target. So it is quite important to investigate the noise characteristics of intensifiers. SNR is an important parameter reflecting the noise features of a system. Through the use of underwater laser range-gated imaging prediction model, and according to the linear SNR system theory, the gated imaging noise performance of the present market adopted super second generation and generation Ⅲ intensifiers were theoretically analyzed. Based on the active laser underwater range-gated imaging model, the effect to the system by gated intensifiers and the relationship between the system SNR and MTF were studied. Through theoretical and simulation analysis to the image intensifier background noise and SNR, the different influence on system SNR by super second generation and generation Ⅲ ICCD was obtained. Range-gated system SNR formula was put forward, and compared the different effect influence on the system by using two kind of ICCDs was compared. According to the matlab simulation, a detailed analysis was carried out theoretically. All the work in this paper lays a theoretical foundation to further eliminating back scattering effect, improving image SNR, designing and manufacturing higher performance underwater range-gated imaging systems.

Optimization of life support systems and their systems reliability

NASA Technical Reports Server (NTRS)

Fan, L. T.; Hwang, C. L.; Erickson, L. E.

1971-01-01

The identification, analysis, and optimization of life support systems and subsystems have been investigated. For each system or subsystem that has been considered, the procedure involves the establishment of a set of system equations (or mathematical model) based on theory and experimental evidences; the analysis and simulation of the model; the optimization of the operation, control, and reliability; analysis of sensitivity of the system based on the model; and, if possible, experimental verification of the theoretical and computational results. Research activities include: (1) modeling of air flow in a confined space; (2) review of several different gas-liquid contactors utilizing centrifugal force: (3) review of carbon dioxide reduction contactors in space vehicles and other enclosed structures: (4) application of modern optimal control theory to environmental control of confined spaces; (5) optimal control of class of nonlinear diffusional distributed parameter systems: (6) optimization of system reliability of life support systems and sub-systems: (7) modeling, simulation and optimal control of the human thermal system: and (8) analysis and optimization of the water-vapor eletrolysis cell.

Finite Element Analysis and Vibration Control of Lorry’s Shift Mechanism

NASA Astrophysics Data System (ADS)

Qiangwei, Li

2017-11-01

The transmission is one of the important parts of the automobile’s transmission system, Shift mechanism’s main function of transmission is to adjust the position of the shift fork, toggle the synchronizer’s tooth ring, so that the gears are separated and combined to achieve the shift. Therefore, in order to ensure the reliability and stability of the shift process, the vibration characteristics of the shift mechanism cannot be ignored. The static analysis of the shift fork is carried out, and the stress distribution of the shift fork is obtained according to the operating characteristics of the shift mechanism of the lorry transmission in this paper. The modal analysis of the shift mechanism shows the low-order vibration frequencies and the corresponding modal vibration shapes, and the vibration control analysis is carried out according to the simulation results. The simulation results provide the theoretical basis for the reasonable optimization design of the shift mechanism of the lorry transmission.

Research Review, 1983

NASA Technical Reports Server (NTRS)

1984-01-01

The Global Modeling and Simulation Branch (GMSB) of the Laboratory for Atmospheric Sciences (GLAS) is engaged in general circulation modeling studies related to global atmospheric and oceanographic research. The research activities discussed are organized into two disciplines: Global Weather/Observing Systems and Climate/Ocean-Air Interactions. The Global Weather activities are grouped in four areas: (1) Analysis and Forecast Studies, (2) Satellite Observing Systems, (3) Analysis and Model Development, (4) Atmospheric Dynamics and Diagnostic Studies. The GLAS Analysis/Forecast/Retrieval System was applied to both FGGE and post FGGE periods. The resulting analyses have already been used in a large number of theoretical studies of atmospheric dynamics, forecast impact studies and development of new or improved algorithms for the utilization of satellite data. Ocean studies have focused on the analysis of long-term global sea surface temperature data, for use in the study of the response of the atmosphere to sea surface temperature anomalies. Climate research has concentrated on the simulation of global cloudiness, and on the sensitivities of the climate to sea surface temperature and ground wetness anomalies.

The analysis and modelling of dilatational terms in compressible turbulence

NASA Technical Reports Server (NTRS)

Sarkar, S.; Erlebacher, G.; Hussaini, M. Y.; Kreiss, H. O.

1991-01-01

It is shown that the dilatational terms that need to be modeled in compressible turbulence include not only the pressure-dilatation term but also another term - the compressible dissipation. The nature of these dilatational terms in homogeneous turbulence is explored by asymptotic analysis of the compressible Navier-Stokes equations. A non-dimensional parameter which characterizes some compressible effects in moderate Mach number, homogeneous turbulence is identified. Direct numerical simulations (DNS) of isotropic, compressible turbulence are performed, and their results are found to be in agreement with the theoretical analysis. A model for the compressible dissipation is proposed; the model is based on the asymptotic analysis and the direct numerical simulations. This model is calibrated with reference to the DNS results regarding the influence of compressibility on the decay rate of isotropic turbulence. An application of the proposed model to the compressible mixing layer has shown that the model is able to predict the dramatically reduced growth rate of the compressible mixing layer.

The analysis and modeling of dilatational terms in compressible turbulence

NASA Technical Reports Server (NTRS)

Sarkar, S.; Erlebacher, G.; Hussaini, M. Y.; Kreiss, H. O.

1989-01-01

It is shown that the dilatational terms that need to be modeled in compressible turbulence include not only the pressure-dilatation term but also another term - the compressible dissipation. The nature of these dilatational terms in homogeneous turbulence is explored by asymptotic analysis of the compressible Navier-Stokes equations. A non-dimensional parameter which characterizes some compressible effects in moderate Mach number, homogeneous turbulence is identified. Direct numerical simulations (DNS) of isotropic, compressible turbulence are performed, and their results are found to be in agreement with the theoretical analysis. A model for the compressible dissipation is proposed; the model is based on the asymptotic analysis and the direct numerical simulations. This model is calibrated with reference to the DNS results regarding the influence of compressibility on the decay rate of isotropic turbulence. An application of the proposed model to the compressible mixing layer has shown that the model is able to predict the dramatically reduced growth rate of the compressible mixing layer.

Numerical simulation of melt ejection during the laser drilling process on aluminum alloy by millisecond pulsed laser

NASA Astrophysics Data System (ADS)

Wei, Zhang; Jin, Guangyong; Wang, Yibin

2016-01-01

In this paper, established a physical model to simulate the melt ejection induced by millisecond pulsed laser on aluminum alloy and use the finite element method to simulate the whole process. A semi-infinite axisymmetric model was established according to the experiment and the analytical solution of temperature in a solid phase was derived based on the thermal conduction equation. Mean while, by assuming that material was removed from the hole once it was melted, the function describing the hole's shape was obtained with the energy balance theory. This simulation is based on the interaction between single pulsed laser with different pulse-width and different peak energy and aluminum alloy material, the result of numerical simulation is that the hole's depth increases with the increase of laser energy and the hole's depth increases with the increase of laser pulse width, the keyhole depth is linearly increased with the increase of laser energy, respectively; the growth of the keyhole radius is in the trend to be gentle. By comparing the theoretical simulation data and the actual test data, we discover that: we discover that: the relative error between the theoretical values and the actual values is about 8.8%, the theoretical simulation curve is well consistent with the actual experimental curve. This research may provide the theoretical references to the understanding of the interaction between millisecond pulsed laser and many kinds of materials, as well as be beneficial to the application of the laser materials processing and military field.

Systematic design and three-dimensional simulation of X-ray FEL oscillator for Shanghai Coherent Light Facility

NASA Astrophysics Data System (ADS)

Li, Kai; Deng, Haixiao

2018-07-01

The Shanghai Coherent Light Facility (SCLF) is a quasi-continuous wave hard X-ray free electron laser facility, which is currently under construction. Due to the high repetition rate and high-quality electron beams, it is straightforward to consider X-ray free electron laser oscillator (XFELO) operation for the SCLF. In this paper, the main processes for XFELO design, and parameter optimization of the undulator, X-ray cavity, and electron beam are described. A three-dimensional X-ray crystal Bragg diffraction code, named BRIGHT, was introduced for the first time, which can be combined with the GENESIS and OPC codes for the numerical simulations of the XFELO. The performance of the XFELO of the SCLF is investigated and optimized by theoretical analysis and numerical simulation.

A Management Information System Model for Program Management. Ph.D. Thesis - Oklahoma State Univ.; [Computerized Systems Analysis

NASA Technical Reports Server (NTRS)

Shipman, D. L.

1972-01-01

The development of a model to simulate the information system of a program management type of organization is reported. The model statistically determines the following parameters: type of messages, destinations, delivery durations, type processing, processing durations, communication channels, outgoing messages, and priorites. The total management information system of the program management organization is considered, including formal and informal information flows and both facilities and equipment. The model is written in General Purpose System Simulation 2 computer programming language for use on the Univac 1108, Executive 8 computer. The model is simulated on a daily basis and collects queue and resource utilization statistics for each decision point. The statistics are then used by management to evaluate proposed resource allocations, to evaluate proposed changes to the system, and to identify potential problem areas. The model employs both empirical and theoretical distributions which are adjusted to simulate the information flow being studied.

Numerical simulation of a horizontal sedimentation tank considering sludge recirculation.

PubMed

Zhang, Wei; Zou, Zhihong; Sui, Jun

2010-01-01

Most research conducted on the concentration distribution of sediment in the sedimentation tank does not consider the role of the suction dredge. To analyze concentration distribution more accurately, a suspended sediment transportation model was constructed and the velocity field in the sedimentation tank was determined based on the influence of the suction dredge. An application model was then used to analyze the concentration distribution in the sedimentation tank when the suction dredge was fixed, with results showing that distribution was in accordance with theoretical analysis. The simulated value of the outlet concentration was similar to the experimental value, and the trends of the isoconcentration distribution curves, as well as the vertical distribution curves of the five monitoring sections acquired through simulations, were almost the same as curves acquired through experimentation. The differences between the simulated values and the experimental values were significant.

Integrated Display and Simulation for Automatic Dependent Surveillance-Broadcast and Traffic Collision Avoidance System Data Fusion.

PubMed

Wang, Yanran; Xiao, Gang; Dai, Zhouyun

2017-11-13

Automatic Dependent Surveillance-Broadcast (ADS-B) is the direction of airspace surveillance development. Research analyzing the benefits of Traffic Collision Avoidance System (TCAS) and ADS-B data fusion is almost absent. The paper proposes an ADS-B minimum system from ADS-B In and ADS-B Out. In ADS-B In, a fusion model with a variable sampling Variational Bayesian-Interacting Multiple Model (VSVB-IMM) algorithm is proposed for integrated display and an airspace traffic situation display is developed by using ADS-B information. ADS-B Out includes ADS-B Out transmission based on a simulator platform and an Unmanned Aerial Vehicle (UAV) platform. This paper describes the overall implementation of ADS-B minimum system, including theoretical model design, experimental simulation verification, engineering implementation, results analysis, etc. Simulation and implementation results show that the fused system has better performance than each independent subsystem and it can work well in engineering applications.

The pressure-dilatation correlation in compressible flows

NASA Technical Reports Server (NTRS)

Sarkar, S.

1992-01-01

Simulations of simple compressible flows have been performed to enable the direct estimation of the pressure-dilatation correlation. The generally accepted belief that this correlation may be important in high-speed flows has been verified by the simulations. The pressure-dilatation correlation is theoretically investigated by considering the equation for fluctuating pressure in an arbitrary compressible flow. This leads to the isolation of a component of the pressure-dilatation that exhibits temporal oscillations on a fast time scale. Direct numerical simulations of homogeneous shear turbulence and isotropic turbulence show that this fast component has a negligible contribution to the evolution of turbulent kinetic energy. Then, an analysis for the case of homogeneous turbulence is performed to obtain a formal solution for the nonoscillatory pressure-dilatation. Simplifications lead to a model that algebraically relates the pressure-dilatation to quantities traditionally obtained in incompressible turbulence closures. The model is validated by direct comparison with the simulations.

Reconstructing in-vivo reflectance spectrum of pigmented skin lesion by Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Wang, Shuang; He, Qingli; Zhao, Jianhua; Lui, Harvey; Zeng, Haishan

2012-03-01

In dermatology applications, diffuse reflectance spectroscopy has been extensively investigated as a promising tool for the noninvasive method to distinguish melanoma from benign pigmented skin lesion (nevus), which is concentrated with the skin chromophores like melanin and hemoglobin. We carried out a theoretical study to examine melanin distribution in human skin tissue and establish a practical optical model for further pigmented skin investigation. The theoretical simulation was using junctional nevus as an example. A multiple layer skin optical model was developed on established anatomy structures of skin, the published optical parameters of different skin layers, blood and melanin. Monte Carlo simulation was used to model the interaction between excitation light and skin tissue and rebuild the diffuse reflectance process from skin tissue. A testified methodology was adopted to determine melanin contents in human skin based on in vivo diffuse reflectance spectra. The rebuild diffuse reflectance spectra were investigated by adding melanin into different layers of the theoretical model. One of in vivo reflectance spectra from Junctional nevi and their surrounding normal skin was studied by compare the ratio between nevus and normal skin tissue in both the experimental and simulated diffuse reflectance spectra. The simulation result showed a good agreement with our clinical measurements, which indicated that our research method, including the spectral ratio method, skin optical model and modifying the melanin content in the model, could be applied in further theoretical simulation of pigmented skin lesions.

Using Software Simulators to Enhance the Learning of Digital Logic Design for the Information Technology Students

ERIC Educational Resources Information Center

Alsadoon, Abeer; Prasad, P. W. C.; Beg, Azam

2017-01-01

Making the students understand the theoretical concepts of digital logic design concepts is one of the major issues faced by the academics, therefore the teachers have tried different techniques to link the theoretical information to the practical knowledge. Use of software simulations is a technique for learning and practice that can be applied…

Design and Analyze a New Measuring Lift Device for Fin Stabilizers Using Stiffness Matrix of Euler-Bernoulli Beam

PubMed Central

Liang, Lihua; Sun, Mingxiao; Shi, Hongyu; Luan, Tiantian

2017-01-01

Fin-angle feedback control is usually used in conventional fin stabilizers, and its actual anti-rolling effect is difficult to reach theoretical design requirements. Primarily, lift of control torque is a theoretical value calculated by static hydrodynamic characteristics of fin. However, hydrodynamic characteristics of fin are dynamic while fin is moving in waves. As a result, there is a large deviation between actual value and theoretical value of lift. Firstly, the reasons of deviation are analyzed theoretically, which could avoid a variety of interference factors and complex theoretical derivations. Secondly, a new device is designed for direct measurement of actual lift, which is composed of fin-shaft combined mechanism and sensors. This new device can make fin-shaft not only be the basic function of rotating fin, but also detect actual lift. Through analysis using stiffness matrix of Euler-Bernoulli beam, displacement of shaft-core end is measured instead of lift which is difficult to measure. Then quantitative relationship between lift and displacement is defined. Three main factors are analyzed with quantitative relationship. What is more, two installation modes of sensors and a removable shaft-end cover are proposed according to hydrodynamic characteristics of fin. Thus the new device contributes to maintenance and measurement. Lastly, the effectiveness and accuracy of device are verified by contrasting calculation and simulation on the basis of actual design parameters. And the new measuring lift method can be proved to be effective through experiments. The new device is achieved from conventional fin stabilizers. Accordingly, the reliability of original equipment is inherited. The alteration of fin stabilizers is minor, which is suitable for engineering application. In addition, the flexural properties of fin-shaft are digitized with analysis of stiffness matrix. This method provides theoretical support for engineering application by carrying out finite element analysis with computers. PMID:28046122

Clinical simulation training improves the clinical performance of Chinese medical students

PubMed Central

Zhang, Ming-ya; Cheng, Xin; Xu, An-ding; Luo, Liang-ping; Yang, Xuesong

2015-01-01

Background Modern medical education promotes medical students’ clinical operating capacity rather than the mastery of theoretical knowledge. To accomplish this objective, clinical skill training using various simulations was introduced into medical education to cultivate creativity and develop the practical ability of students. However, quantitative analysis of the efficiency of clinical skill training with simulations is lacking. Methods In the present study, we compared the mean scores of medical students (Jinan University) who graduated in 2013 and 2014 on 16 stations between traditional training (control) and simulative training groups. In addition, in a clinical skill competition, the objective structured clinical examination (OSCE) scores of participating medical students trained using traditional and simulative training were compared. The data were statistically analyzed and qualitatively described. Results The results revealed that simulative training could significantly enhance the graduate score of medical students compared with the control. The OSCE scores of participating medical students in the clinical skill competition, trained using simulations, were dramatically higher than those of students trained through traditional methods, and we also observed that the OSCE marks were significantly increased for the same participant after simulative training for the clinical skill competition. Conclusions Taken together, these data indicate that clinical skill training with a variety of simulations could substantially promote the clinical performance of medical students and optimize the resources used for medical education, although a precise analysis of each specialization is needed in the future. PMID:26478142

Research on hyperspectral dynamic scene and image sequence simulation

NASA Astrophysics Data System (ADS)

Sun, Dandan; Liu, Fang; Gao, Jiaobo; Sun, Kefeng; Hu, Yu; Li, Yu; Xie, Junhu; Zhang, Lei

2016-10-01

This paper presents a simulation method of hyperspectral dynamic scene and image sequence for hyperspectral equipment evaluation and target detection algorithm. Because of high spectral resolution, strong band continuity, anti-interference and other advantages, in recent years, hyperspectral imaging technology has been rapidly developed and is widely used in many areas such as optoelectronic target detection, military defense and remote sensing systems. Digital imaging simulation, as a crucial part of hardware in loop simulation, can be applied to testing and evaluation hyperspectral imaging equipment with lower development cost and shorter development period. Meanwhile, visual simulation can produce a lot of original image data under various conditions for hyperspectral image feature extraction and classification algorithm. Based on radiation physic model and material characteristic parameters this paper proposes a generation method of digital scene. By building multiple sensor models under different bands and different bandwidths, hyperspectral scenes in visible, MWIR, LWIR band, with spectral resolution 0.01μm, 0.05μm and 0.1μm have been simulated in this paper. The final dynamic scenes have high real-time and realistic, with frequency up to 100 HZ. By means of saving all the scene gray data in the same viewpoint image sequence is obtained. The analysis results show whether in the infrared band or the visible band, the grayscale variations of simulated hyperspectral images are consistent with the theoretical analysis results.

Space-flight simulations of calcium metabolism using a mathematical model of calcium regulation

NASA Technical Reports Server (NTRS)

Brand, S. N.

1985-01-01

The results of a series of simulation studies of calcium matabolic changes which have been recorded during human exposure to bed rest and space flight are presented. Space flight and bed rest data demonstrate losses of total body calcium during exposure to hypogravic environments. These losses are evidenced by higher than normal rates of urine calcium excretion and by negative calcium balances. In addition, intestinal absorption rates and bone mineral content are assumed to decrease. The bed rest and space flight simulations were executed on a mathematical model of the calcium metabolic system. The purpose of the simulations is to theoretically test hypotheses and predict system responses which are occurring during given experimental stresses. In this case, hypogravity occurs through the comparison of simulation and experimental data and through the analysis of model structure and system responses. The model reliably simulates the responses of selected bed rest and space flight parameters. When experimental data are available, the simulated skeletal responses and regulatory factors involved in the responses agree with space flight data collected on rodents. In addition, areas within the model that need improvement are identified.

Perceptions of simulation-assisted teaching among baccalaureate nursing students in Chinese context: Benefits, process and barriers.

PubMed

Zhang, Jun

To explore the subjective learning experiences of baccalaureate nursing students participating in simulation sessions in a Chinese nursing school. This was a qualitative descriptive study. We used semi-structured interviews to explore students' perception about simulation-assisted learning. Each interview was audio-taped and transcribed verbatim. Thematic analysis was used to identify the major themes or categories from the transcript and the field notes. Only 10 students were needed to achieve theoretical saturation, due to high group homogeneity. Three main themes which were found from the study included 1. Students' positive views of the new educational experience of simulation; 2. Factors currently making simulation less attractive to students; and 3. The teacher's role in insuring a positive learning experience. Simulation-assisted teaching has been a positive experience for majority nursing students. Further efforts are needed in developing quality simulation-based course curriculum as well as planning and structuring its teaching process. The pedagogy approach requires close collaboration between faculty and students. Copyright © 2016 Elsevier Inc. All rights reserved.

The Role of Computer Simulation in Nanoporous Metals—A Review

PubMed Central

Xia, Re; Wu, Run Ni; Liu, Yi Lun; Sun, Xiao Yu

2015-01-01

Nanoporous metals (NPMs) have proven to be all-round candidates in versatile and diverse applications. In this decade, interest has grown in the fabrication, characterization and applications of these intriguing materials. Most existing reviews focus on the experimental and theoretical works rather than the numerical simulation. Actually, with numerous experiments and theory analysis, studies based on computer simulation, which may model complex microstructure in more realistic ways, play a key role in understanding and predicting the behaviors of NPMs. In this review, we present a comprehensive overview of the computer simulations of NPMs, which are prepared through chemical dealloying. Firstly, we summarize the various simulation approaches to preparation, processing, and the basic physical and chemical properties of NPMs. In this part, the emphasis is attached to works involving dealloying, coarsening and mechanical properties. Then, we conclude with the latest progress as well as the future challenges in simulation studies. We believe that highlighting the importance of simulations will help to better understand the properties of novel materials and help with new scientific research on these materials. PMID:28793491

Simulation of a Wall-Bounded Flow using a Hybrid LES/RAS Approach with Turbulence Recycling

NASA Technical Reports Server (NTRS)

Quinlan, Jesse R.; Mcdaniel, James; Baurle, Robert A.

2012-01-01

Simulations of a supersonic recessed-cavity flow are performed using a hybrid large-eddy/ Reynolds-averaged simulation approach utilizing an inflow turbulence recycling procedure and hybridized inviscid flux scheme. Calorically perfect air enters the three-dimensional domain at a free stream Mach number of 2.92. Simulations are performed to assess grid sensitivity of the solution, efficacy of the turbulence recycling, and effect of the shock sensor used with the hybridized inviscid flux scheme. Analysis of the turbulent boundary layer upstream of the rearward-facing step for each case indicates excellent agreement with theoretical predictions. Mean velocity and pressure results are compared to Reynolds-averaged simulations and experimental data for each case, and these comparisons indicate good agreement on the finest grid. Simulations are repeated on a coarsened grid, and results indicate strong grid density sensitivity. The effect of turbulence recycling on the solution is illustrated by performing coarse grid simulations with and without inflow turbulence recycling. Two shock sensors, one of Ducros and one of Larsson, are assessed for use with the hybridized inviscid flux reconstruction scheme.

Hybrid Large-Eddy/Reynolds-Averaged Simulation of a Supersonic Cavity Using VULCAN

NASA Technical Reports Server (NTRS)

Quinlan, Jesse; McDaniel, James; Baurle, Robert A.

2013-01-01

Simulations of a supersonic recessed-cavity flow are performed using a hybrid large-eddy/Reynolds-averaged simulation approach utilizing an inflow turbulence recycling procedure and hybridized inviscid flux scheme. Calorically perfect air enters a three-dimensional domain at a free stream Mach number of 2.92. Simulations are performed to assess grid sensitivity of the solution, efficacy of the turbulence recycling, and the effect of the shock sensor used with the hybridized inviscid flux scheme. Analysis of the turbulent boundary layer upstream of the rearward-facing step for each case indicates excellent agreement with theoretical predictions. Mean velocity and pressure results are compared to Reynolds-averaged simulations and experimental data for each case and indicate good agreement on the finest grid. Simulations are repeated on a coarsened grid, and results indicate strong grid density sensitivity. Simulations are performed with and without inflow turbulence recycling on the coarse grid to isolate the effect of the recycling procedure, which is demonstrably critical to capturing the relevant shear layer dynamics. Shock sensor formulations of Ducros and Larsson are found to predict mean flow statistics equally well.

Research on the strategy of underwater united detection fusion and communication using multi-sensor

NASA Astrophysics Data System (ADS)

Xu, Zhenhua; Huang, Jianguo; Huang, Hai; Zhang, Qunfei

2011-09-01

In order to solve the distributed detection fusion problem of underwater target detection, when the signal to noise ratio (SNR) of the acoustic channel is low, a new strategy for united detection fusion and communication using multiple sensors was proposed. The performance of detection fusion was studied and compared based on the Neyman-Pearson principle when the binary phase shift keying (BPSK) and on-off keying (OOK) modes were used by the local sensors. The comparative simulation and analysis between the optimal likelihood ratio test and the proposed strategy was completed, and both the theoretical analysis and simulation indicate that using the proposed new strategy could improve the detection performance effectively. In theory, the proposed strategy of united detection fusion and communication is of great significance to the establishment of an underwater target detection system.

Nanostructure Formation by controlled dewetting on patterned substrates: A combined theoretical, modeling and experimental study

PubMed Central

Lu, Liang-Xing; Wang, Ying-Min; Srinivasan, Bharathi Madurai; Asbahi, Mohamed; Yang, Joel K. W.; Zhang, Yong-Wei

2016-01-01

We perform systematic two-dimensional energetic analysis to study the stability of various nanostructures formed by dewetting solid films deposited on patterned substrates. Our analytical results show that by controlling system parameters such as the substrate surface pattern, film thickness and wetting angle, a variety of equilibrium nanostructures can be obtained. Phase diagrams are presented to show the complex relations between these system parameters and various nanostructure morphologies. We further carry out both phase field simulations and dewetting experiments to validate the analytically derived phase diagrams. Good agreements between the results from our energetic analyses and those from our phase field simulations and experiments verify our analysis. Hence, the phase diagrams presented here provide guidelines for using solid-state dewetting as a tool to achieve various nanostructures. PMID:27580943

Statistical analysis and modeling of intermittent transport events in the tokamak scrape-off layer

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

Anderson, Johan, E-mail: anderson.johan@gmail.com; Halpern, Federico D.; Ricci, Paolo

The turbulence observed in the scrape-off-layer of a tokamak is often characterized by intermittent events of bursty nature, a feature which raises concerns about the prediction of heat loads on the physical boundaries of the device. It appears thus necessary to delve into the statistical properties of turbulent physical fields such as density, electrostatic potential, and temperature, focusing on the mathematical expression of tails of the probability distribution functions. The method followed here is to generate statistical information from time-traces of the plasma density stemming from Braginskii-type fluid simulations and check this against a first-principles theoretical model. The analysis ofmore » the numerical simulations indicates that the probability distribution function of the intermittent process contains strong exponential tails, as predicted by the analytical theory.« less

Line tension of a two dimensional gas-liquid interface.

PubMed

Santra, Mantu; Bagchi, Biman

2009-08-28

In two dimensional (2D) gas-liquid systems, the reported simulation values of line tension are known to disagree with the existing theoretical estimates. We find that while the simulation erred in truncating the range of the interaction potential, and as a result grossly underestimated the actual value, the earlier theoretical calculation was also limited by several approximations. When both the simulation and the theory are improved, we find that the estimate of line tension is in better agreement with each other. The small value of surface tension suggests increased influence of noncircular clusters in 2D gas-liquid nucleation, as indeed observed in a recent simulation.

Theoretical model for design and analysis of protectional eyewear.

PubMed

Zelzer, B; Speck, A; Langenbucher, A; Eppig, T

2013-05-01

Protectional eyewear has to fulfill both mechanical and optical stress tests. To pass those optical tests the surfaces of safety spectacles have to be optimized to minimize optical aberrations. Starting with the surface data of three measured safety spectacles, a theoretical spectacle model (four spherical surfaces) is recalculated first and then optimized while keeping the front surface unchanged. Next to spherical power, astigmatic power and prism imbalance we used the wavefront error (five different viewing directions) to simulate the optical performance and to optimize the safety spectacle geometries. All surfaces were spherical (maximum global deviation 'peak-to-valley' between the measured surface and the best-fit sphere: 0.132mm). Except the spherical power of the model Axcont (-0.07m(-1)) all simulated optical performance before optimization was better than the limits defined by standards. The optimization reduced the wavefront error by 1% to 0.150 λ (Windor/Infield), by 63% to 0.194 λ (Axcont/Bolle) and by 55% to 0.199 λ (2720/3M) without dropping below the measured thickness. The simulated optical performance of spectacle designs could be improved when using a smart optimization. A good optical design counteracts degradation by parameter variation throughout the manufacturing process. Copyright © 2013. Published by Elsevier GmbH.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

NASA Astrophysics Data System (ADS)

Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

2015-10-01

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr04678e

Structural relaxation in supercooled orthoterphenyl.

PubMed

Chong, S-H; Sciortino, F

2004-05-01

We report molecular-dynamics simulation results performed for a model of molecular liquid orthoterphenyl in supercooled states, which we then compare with both experimental data and mode-coupling-theory (MCT) predictions, aiming at a better understanding of structural relaxation in orthoterphenyl. We pay special attention to the wave number dependence of the collective dynamics. It is shown that the simulation results for the model share many features with experimental data for real system, and that MCT captures the simulation results at the semiquantitative level except for intermediate wave numbers connected to the overall size of the molecule. Theoretical results at the intermediate wave number region are found to be improved by taking into account the spatial correlation of the molecule's geometrical center. This supports the idea that unusual dynamical properties at the intermediate wave numbers, reported previously in simulation studies for the model and discernible in coherent neutron-scattering experimental data, are basically due to the coupling of the rotational motion to the geometrical-center dynamics. However, there still remain qualitative as well as quantitative discrepancies between theoretical prediction and corresponding simulation results at the intermediate wave numbers, which call for further theoretical investigation.

Digital Sound Encryption with Logistic Map and Number Theoretic Transform

NASA Astrophysics Data System (ADS)

Satria, Yudi; Gabe Rizky, P. H.; Suryadi, MT

2018-03-01

Digital sound security has limits on encrypting in Frequency Domain. Number Theoretic Transform based on field (GF 2521 – 1) improve and solve that problem. The algorithm for this sound encryption is based on combination of Chaos function and Number Theoretic Transform. The Chaos function that used in this paper is Logistic Map. The trials and the simulations are conducted by using 5 different digital sound files data tester in Wave File Extension Format and simulated at least 100 times each. The key stream resulted is random with verified by 15 NIST’s randomness test. The key space formed is very big which more than 10469. The processing speed of algorithm for encryption is slightly affected by Number Theoretic Transform.

Discriminating topology in galaxy distributions using network analysis

NASA Astrophysics Data System (ADS)

Hong, Sungryong; Coutinho, Bruno C.; Dey, Arjun; Barabási, Albert-L.; Vogelsberger, Mark; Hernquist, Lars; Gebhardt, Karl

2016-07-01

The large-scale distribution of galaxies is generally analysed using the two-point correlation function. However, this statistic does not capture the topology of the distribution, and it is necessary to resort to higher order correlations to break degeneracies. We demonstrate that an alternate approach using network analysis can discriminate between topologically different distributions that have similar two-point correlations. We investigate two galaxy point distributions, one produced by a cosmological simulation and the other by a Lévy walk. For the cosmological simulation, we adopt the redshift z = 0.58 slice from Illustris and select galaxies with stellar masses greater than 108 M⊙. The two-point correlation function of these simulated galaxies follows a single power law, ξ(r) ˜ r-1.5. Then, we generate Lévy walks matching the correlation function and abundance with the simulated galaxies. We find that, while the two simulated galaxy point distributions have the same abundance and two-point correlation function, their spatial distributions are very different; most prominently, filamentary structures, absent in Lévy fractals. To quantify these missing topologies, we adopt network analysis tools and measure diameter, giant component, and transitivity from networks built by a conventional friends-of-friends recipe with various linking lengths. Unlike the abundance and two-point correlation function, these network quantities reveal a clear separation between the two simulated distributions; therefore, the galaxy distribution simulated by Illustris is not a Lévy fractal quantitatively. We find that the described network quantities offer an efficient tool for discriminating topologies and for comparing observed and theoretical distributions.

Field emission microplasma actuation for microchannel flows

NASA Astrophysics Data System (ADS)

Sashank Tholeti, Siva; Shivkumar, Gayathri; Alexeenko, Alina A.

2016-06-01

Microplasmas offer attractive flow control methodology for gas transport in microsystems where large viscous losses make conventional pumping methods highly inefficient. We study microscale flow actuation by dielectric-barrier discharge (DBD) with field emission (FE) of electrons, which allows lowering the operational voltage from kV to a few hundred volts and below. A feasibility study of FE-DBD for flow actuation is performed using 2D particle-in-cell method with Monte Carlo collisions (PIC/MCC) at 10 MHz in nitrogen at atmospheric pressure. The free diffusion dominated, high velocity field emission electrons create a large positive space charge and a body force on the order of 106 N m-3. The body force and Joule heat decrease with increase in dielectric thickness and electrode thickness. The body force also decreases at lower pressures. The plasma body force distribution along with the Joule heating is then used in the Navier-Stokes simulations to quantify the flow actuation in a microchannel. Theoretical analysis and simulations for plasma actuated planar Poiseuille flow show that the gain in flow rate is inversely proportional to Reynolds number. This theoretical analysis is in good agreement with the simulations for a microchannel with closely placed actuators under incompressible conditions. Flow rate of FE-DBD driven 2D microchannel is around 100 ml min-1 mm-1 for an input power of 64 μW mm-1. The gas temperature rises by 1500 K due to the Joule heating, indicating FE-DBD’s potential for microcombustion, micropropulsion and chemical sensing in addition to microscale pumping and mixing applications.

Comparison in Schemes for Simulating Depositional Growth of Ice Crystal between Theoretical and Laboratory Data

NASA Astrophysics Data System (ADS)

Zhai, Guoqing; Li, Xiaofan

2015-04-01

The Bergeron-Findeisen process has been simulated using the parameterization scheme for the depositional growth of ice crystal with the temperature-dependent theoretically predicted parameters in the past decades. Recently, Westbrook and Heymsfield (2011) calculated these parameters using the laboratory data from Takahashi and Fukuta (1988) and Takahashi et al. (1991) and found significant differences between the two parameter sets. There are two schemes that parameterize the depositional growth of ice crystal: Hsie et al. (1980), Krueger et al. (1995) and Zeng et al. (2008). In this study, we conducted three pairs of sensitivity experiments using three parameterization schemes and the two parameter sets. The pre-summer torrential rainfall event is chosen as the simulated rainfall case in this study. The analysis of root-mean-squared difference and correlation coefficient between the simulation and observation of surface rain rate shows that the experiment with the Krueger scheme and the Takahashi laboratory-derived parameters produces the best rain-rate simulation. The mean simulated rain rates are higher than the mean observational rain rate. The calculations of 5-day and model domain mean rain rates reveal that the three schemes with Takahashi laboratory-derived parameters tend to reduce the mean rain rate. The Krueger scheme together with the Takahashi laboratory-derived parameters generate the closest mean rain rate to the mean observational rain rate. The decrease in the mean rain rate caused by the Takahashi laboratory-derived parameters in the experiment with the Krueger scheme is associated with the reductions in the mean net condensation and the mean hydrometeor loss. These reductions correspond to the suppressed mean infrared radiative cooling due to the enhanced cloud ice and snow in the upper troposphere.

Analytical Characterization on Pulse Propagation in a Semiconductor Optical Amplifier Based on Homotopy Analysis Method

NASA Astrophysics Data System (ADS)

Jia, Xiaofei

2018-06-01

Starting from the basic equations describing the evolution of the carriers and photons inside a semiconductor optical amplifier (SOA), the equation governing pulse propagation in the SOA is derived. By employing homotopy analysis method (HAM), a series solution for the output pulse by the SOA is obtained, which can effectively characterize the temporal features of the nonlinear process during the pulse propagation inside the SOA. Moreover, the analytical solution is compared with numerical simulations with a good agreement. The theoretical results will benefit the future analysis of other problems related to the pulse propagation in the SOA.

Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

DOE PAGES

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

2016-11-16

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

Layover and shadow detection based on distributed spaceborne single-baseline InSAR

NASA Astrophysics Data System (ADS)

Huanxin, Zou; Bin, Cai; Changzhou, Fan; Yun, Ren

2014-03-01

Distributed spaceborne single-baseline InSAR is an effective technique to get high quality Digital Elevation Model. Layover and Shadow are ubiquitous phenomenon in SAR images because of geometric relation of SAR imaging. In the signal processing of single-baseline InSAR, the phase singularity of Layover and Shadow leads to the phase difficult to filtering and unwrapping. This paper analyzed the geometric and signal model of the Layover and Shadow fields. Based on the interferometric signal autocorrelation matrix, the paper proposed the signal number estimation method based on information theoretic criteria, to distinguish Layover and Shadow from normal InSAR fields. The effectiveness and practicability of the method proposed in the paper are validated in the simulation experiments and theoretical analysis.

Application of THz Vibrational Spectroscopy to Molecular Characterization and the Theoretical Fundamentals: An Illustration Using Saccharide Molecules.

PubMed

Zhang, Feng; Wang, Houng-Wei; Tominaga, Keisuke; Hayashi, Michitoshi; Hasunuma, Tomohisa; Kondo, Akihiko

2017-02-01

This work illustrates several theoretical fundamentals for the application of THz vibrational spectroscopy to molecular characterization in the solid state using two different types of saccharide systems as examples. Four subjects have been specifically addressed: (1) the qualitative differences in the molecular vibrational signatures monitored by THz and mid-IR vibrational spectroscopy; (2) the selection rules for THz vibrational spectroscopy as applied to crystalline and amorphous systems; (3) a normal mode simulation, using α-l-xylose as an example; and (4) a rigorous mode analysis to quantify the percentage contributions of the intermolecular and intramolecular vibrations to the normal mode of interest. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Epidemic spread in bipartite network by considering risk awareness

NASA Astrophysics Data System (ADS)

Han, She; Sun, Mei; Ampimah, Benjamin Chris; Han, Dun

2018-02-01

Human awareness plays an important role in the spread of infectious diseases and the control of propagation patterns. Exploring the interplay between human awareness and epidemic spreading is a topic that has been receiving increasing attention. Considering the fact, some well-known diseases only spread between different species we propose a theoretical analysis of the Susceptible-Infected-Susceptible (SIS) epidemic spread from the perspective of bipartite network and risk aversion. Using mean field theory, the epidemic threshold is calculated theoretically. Simulation results are consistent with the proposed analytic model. The results show that, the final infection density is negative linear with the value of individuals' risk awareness. Therefore, the epidemic spread could be effectively suppressed by improving individuals' risk awareness.

Computer-aided molecular modeling techniques for predicting the stability of drug cyclodextrin inclusion complexes in aqueous solutions

NASA Astrophysics Data System (ADS)

Faucci, Maria Teresa; Melani, Fabrizio; Mura, Paola

2002-06-01

Molecular modeling was used to investigate factors influencing complex formation between cyclodextrins and guest molecules and predict their stability through a theoretical model based on the search for a correlation between experimental stability constants ( Ks) and some theoretical parameters describing complexation (docking energy, host-guest contact surfaces, intermolecular interaction fields) calculated from complex structures at a minimum conformational energy, obtained through stochastic methods based on molecular dynamic simulations. Naproxen, ibuprofen, ketoprofen and ibuproxam were used as model drug molecules. Multiple Regression Analysis allowed identification of the significant factors for the complex stability. A mathematical model ( r=0.897) related log Ks with complex docking energy and lipophilic molecular fields of cyclodextrin and drug.

Deterministic convergence of chaos injection-based gradient method for training feedforward neural networks.

PubMed

Zhang, Huisheng; Zhang, Ying; Xu, Dongpo; Liu, Xiaodong

2015-06-01

It has been shown that, by adding a chaotic sequence to the weight update during the training of neural networks, the chaos injection-based gradient method (CIBGM) is superior to the standard backpropagation algorithm. This paper presents the theoretical convergence analysis of CIBGM for training feedforward neural networks. We consider both the case of batch learning as well as the case of online learning. Under mild conditions, we prove the weak convergence, i.e., the training error tends to a constant and the gradient of the error function tends to zero. Moreover, the strong convergence of CIBGM is also obtained with the help of an extra condition. The theoretical results are substantiated by a simulation example.

Mathematical Analysis of an Epidemic System in the Presence of Optimal Control and Population Dispersal

NASA Astrophysics Data System (ADS)

Nandi, Swapan Kumar; Jana, Soovoojeet; Mandal, Manotosh; Kar, T. K.

In this paper, we proposed and analyzed a susceptible-infected-recovered (SIR) type epidemic model to investigate the effect of transport-related infectious diseases namely tuberculosis, measles, rubella, influenza, sexually transmitted diseases, etc. The existence and stability criteria of both the diseases include free equilibrium point and endemic equilibrium point which are established and the threshold parametric condition for which the system passes through a transcritical bifurcation is also obtained. Optimal control strategy for control parameters is formulated and solved both theoretically and numerically. Lastly, we not only illustrate our theoretical results through graphical illustrations but also computer simulation is used to show that our model would be a good model to study the SARS epidemic in 2003.

Path Loss Prediction Over the Lunar Surface Utilizing a Modified Longley-Rice Irregular Terrain Model

NASA Technical Reports Server (NTRS)

Foore, Larry; Ida, Nathan

2007-01-01

This study introduces the use of a modified Longley-Rice irregular terrain model and digital elevation data representative of an analogue lunar site for the prediction of RF path loss over the lunar surface. The results are validated by theoretical models and past Apollo studies. The model is used to approximate the path loss deviation from theoretical attenuation over a reflecting sphere. Analysis of the simulation results provides statistics on the fade depths for frequencies of interest, and correspondingly a method for determining the maximum range of communications for various coverage confidence intervals. Communication system engineers and mission planners are provided a link margin and path loss policy for communication frequencies of interest.

Spreading dynamics of an e-commerce preferential information model on scale-free networks

NASA Astrophysics Data System (ADS)

Wan, Chen; Li, Tao; Guan, Zhi-Hong; Wang, Yuanmei; Liu, Xiongding

2017-02-01

In order to study the influence of the preferential degree and the heterogeneity of underlying networks on the spread of preferential e-commerce information, we propose a novel susceptible-infected-beneficial model based on scale-free networks. The spreading dynamics of the preferential information are analyzed in detail using the mean-field theory. We determine the basic reproductive number and equilibria. The theoretical analysis indicates that the basic reproductive number depends mainly on the preferential degree and the topology of the underlying networks. We prove the global stability of the information-elimination equilibrium. The permanence of preferential information and the global attractivity of the information-prevailing equilibrium are also studied in detail. Some numerical simulations are presented to verify the theoretical results.

Generating multiple orbital angular momentum vortex beams using a metasurface in radio frequency domain

NASA Astrophysics Data System (ADS)

Yu, Shixing; Li, Long; Shi, Guangming; Zhu, Cheng; Shi, Yan

2016-06-01

In this paper, an electromagnetic metasurface is designed, fabricated, and experimentally demonstrated to generate multiple orbital angular momentum (OAM) vortex beams in radio frequency domain. Theoretical formula of compensated phase-shift distribution is deduced and used to design the metasurface to produce multiple vortex radio waves in different directions with different OAM modes. The prototype of a practical configuration of square-patch metasurface is designed, fabricated, and measured to validate the theoretical analysis at 5.8 GHz. The simulated and experimental results verify that multiple OAM vortex waves can be simultaneously generated by using a single electromagnetic metasurface. The proposed method paves an effective way to generate multiple OAM vortex waves in radio and microwave wireless communication applications.

Geometric characterization and simulation of planar layered elastomeric fibrous biomaterials

DOE PAGES

Carleton, James B.; D’Amore, Antonio; Feaver, Kristen R.; ...

2014-10-13

Many important biomaterials are composed of multiple layers of networked fibers. While there is a growing interest in modeling and simulation of the mechanical response of these biomaterials, a theoretical foundation for such simulations has yet to be firmly established. Moreover, correctly identifying and matching key geometric features is a critically important first step for performing reliable mechanical simulations. This paper addresses these issues in two ways. First, using methods of geometric probability, we develop theoretical estimates for the mean linear and areal fiber intersection densities for 2-D fibrous networks. These densities are expressed in terms of the fiber densitymore » and the orientation distribution function, both of which are relatively easy-to-measure properties. Secondly, we develop a random walk algorithm for geometric simulation of 2-D fibrous networks which can accurately reproduce the prescribed fiber density and orientation distribution function. Furthermore, the linear and areal fiber intersection densities obtained with the algorithm are in agreement with the theoretical estimates. Both theoretical and computational results are compared with those obtained by post-processing of scanning electron microscope images of actual scaffolds. These comparisons reveal difficulties inherent to resolving fine details of multilayered fibrous networks. Finally, the methods provided herein can provide a rational means to define and generate key geometric features from experimentally measured or prescribed scaffold structural data.« less

Linear Transforms for Fourier Data on the Sphere: Application to High Angular Resolution Diffusion MRI of the Brain

PubMed Central

Haldar, Justin P.; Leahy, Richard M.

2013-01-01

This paper presents a novel family of linear transforms that can be applied to data collected from the surface of a 2-sphere in three-dimensional Fourier space. This family of transforms generalizes the previously-proposed Funk-Radon Transform (FRT), which was originally developed for estimating the orientations of white matter fibers in the central nervous system from diffusion magnetic resonance imaging data. The new family of transforms is characterized theoretically, and efficient numerical implementations of the transforms are presented for the case when the measured data is represented in a basis of spherical harmonics. After these general discussions, attention is focused on a particular new transform from this family that we name the Funk-Radon and Cosine Transform (FRACT). Based on theoretical arguments, it is expected that FRACT-based analysis should yield significantly better orientation information (e.g., improved accuracy and higher angular resolution) than FRT-based analysis, while maintaining the strong characterizability and computational efficiency of the FRT. Simulations are used to confirm these theoretical characteristics, and the practical significance of the proposed approach is illustrated with real diffusion weighted MRI brain data. These experiments demonstrate that, in addition to having strong theoretical characteristics, the proposed approach can outperform existing state-of-the-art orientation estimation methods with respect to measures such as angular resolution and robustness to noise and modeling errors. PMID:23353603

Design and Analysis of a Novel Fully Decoupled Tri-axis Linear Vibratory Gyroscope with Matched Modes.

PubMed

Xia, Dunzhu; Kong, Lun; Gao, Haiyu

2015-07-13

We present in this paper a novel fully decoupled silicon micromachined tri-axis linear vibratory gyroscope. The proposed gyroscope structure is highly symmetrical and can be limited to an area of about 8.5 mm × 8.5 mm. It can differentially detect three axes' angular velocities at the same time. By elaborately arranging different beams, anchors and sensing frames, the drive and sense modes are fully decoupled from each other. Moreover, the quadrature error correction and frequency tuning functions are taken into consideration in the structure design for all the sense modes. Since there exists an unwanted in-plane rotational mode, theoretical analysis is implemented to eliminate it. To accelerate the mode matching process, the particle swam optimization (PSO) algorithm is adopted and a frequency split of 149 Hz is first achieved by this method. Then, after two steps of manual adjustment of the springs' dimensions, the frequency gap is further decreased to 3 Hz. With the help of the finite element method (FEM) software ANSYS, the natural frequencies of drive, yaw, and pitch/roll modes are found to be 14,017 Hz, 14,018 Hz and 14,020 Hz, respectively. The cross-axis effect and scale factor of each mode are also simulated. All the simulation results are in good accordance with the theoretical analysis, which means the design is effective and worthy of further investigation on the integration of tri-axis accelerometers on the same single chip to form an inertial measurement unit.

Waveform model for an eccentric binary black hole based on the effective-one-body-numerical-relativity formalism

NASA Astrophysics Data System (ADS)

Cao, Zhoujian; Han, Wen-Biao

2017-08-01

Binary black hole systems are among the most important sources for gravitational wave detection. They are also good objects for theoretical research for general relativity. A gravitational waveform template is important to data analysis. An effective-one-body-numerical-relativity (EOBNR) model has played an essential role in the LIGO data analysis. For future space-based gravitational wave detection, many binary systems will admit a somewhat orbit eccentricity. At the same time, the eccentric binary is also an interesting topic for theoretical study in general relativity. In this paper, we construct the first eccentric binary waveform model based on an effective-one-body-numerical-relativity framework. Our basic assumption in the model construction is that the involved eccentricity is small. We have compared our eccentric EOBNR model to the circular one used in the LIGO data analysis. We have also tested our eccentric EOBNR model against another recently proposed eccentric binary waveform model; against numerical relativity simulation results; and against perturbation approximation results for extreme mass ratio binary systems. Compared to numerical relativity simulations with an eccentricity as large as about 0.2, the overlap factor for our eccentric EOBNR model is better than 0.98 for all tested cases, including spinless binary and spinning binary, equal mass binary, and unequal mass binary. Hopefully, our eccentric model can be the starting point to develop a faithful template for future space-based gravitational wave detectors.

The Hugoniot adiabat of crystalline copper based on molecular dynamics simulation and semiempirical equation of state

NASA Astrophysics Data System (ADS)

Gubin, S. A.; Maklashova, I. V.; Mel'nikov, I. N.

2018-01-01

The molecular dynamics (MD) method was used for prediction of properties of copper under shock-wave compression and clarification of the melting region of crystal copper. The embedded atom potential was used for the interatomic interaction. Parameters of Hugonoit adiabats of solid and liquid phases of copper calculated by the semiempirical Grüneisen equation of state are consistent with the results of MD simulations and experimental data. MD simulation allows to visualize the structure of cooper on the atomistic level. The analysis of the radial distribution function and the standard deviation by MD modeling allows to predict the melting area behind the shock wave front. These MD simulation data are required to verify the wide-range equation of state of metals. The melting parameters of copper based on MD simulations and semiempirical equations of state are consistent with experimental and theoretical data, including the region of the melting point of copper.

Modelling giant radio halos. Doctoral Thesis Award Lecture 2012

NASA Astrophysics Data System (ADS)

Donnert, J. M. F.

2013-06-01

We review models for giant radio halos in clusters of galaxies, with a focus on numerical and theoretical work. After summarising the most important observations of these objects, we present an introduction to the theoretical aspects of hadronic models. We compare these models with observations using simulations and find severe problems for hadronic models. We give a short introduction to reacceleration models and show results from the first simulation of CRe reacceleration in cluster mergers. We find that in-line with previous theoretical work, reacceleration models are able to elegantly explain main observables of giant radio halos.

NASA LeRC's Acoustic Fill Effect Test Program and Results

NASA Technical Reports Server (NTRS)

Hughes, William O.; Mcnelis, Mark E.; Manning, Jerome E.

1994-01-01

NASA Lewis Research Center, in conjunction with General Dynamics Space Systems Division, has performed a test program to investigate the acoustic fill effect for an unblanketed payload fairing for a variety of payload simulators. This paper will discuss this test program and fill factor test data, and make comparisons with theoretical predictions. This paper will also address the NASA acoustic fill effect standard which was verified from the test data analysis.

Exergetic simulation of a combined infrared-convective drying process

NASA Astrophysics Data System (ADS)

Aghbashlo, Mortaza

2016-04-01

Optimal design and performance of a combined infrared-convective drying system with respect to the energy issue is extremely put through the application of advanced engineering analyses. This article proposes a theoretical approach for exergy analysis of the combined infrared-convective drying process using a simple heat and mass transfer model. The applicability of the developed model to actual drying processes was proved using an illustrative example for a typical food.

Shuttle orbiter radar cross-sectional analysis

NASA Technical Reports Server (NTRS)

Cooper, D. W.; James, R.

1979-01-01

Theoretical and model simulation studies on signal to noise levels and shuttle radar cross section are described. Pre-mission system calibrations, system configuration, and postmission system calibration of the tracking radars are described. Conversion of target range, azimuth, and elevation into radar centered east north vertical position coordinates are evaluated. The location of the impinging rf energy with respect to the target vehicles body axis triad is calculated. Cross section correlation between the two radars is presented.

Closed-loop fiber optic gyroscope with homodyne detection

NASA Astrophysics Data System (ADS)

Zhu, Yong; Qin, BingKun; Chen, Shufen

1996-09-01

Interferometric fiber optic gyroscope (IFOG) has been analyzed with autocontrol theory in this paper. An open-loop IFOG system is not able to restrain the bias drift, but a closed-loop IFOG system can do it very well using negative feedback in order to suppress zero drift. The result of our theoretic analysis and computer simulation indicate that the bias drift of a closed-loop system is smaller than an open- loop one.

The Simulation and Analysis of an Evolutionary Model of Deoxyribonucleic Acid (DNA).

DTIC Science & Technology

1983-09-01

current interest in evolutionary biology . This section identifies the organization of the remainder of the paper. The second chapter reports the...the field of evolutionary biology . 77 APPENDIX 78 APPENDIX A PROGRAM SOURCE LISTING -79 PROGRAM SOURCE LISTING 00005 PROGRAM (COMPUTERANDOM MUTATIONS...34Some Theoretical Aspects of the Problem of Life Origin," Journal 2f Theoreical Biology : 13-23, 1975. 27. Chirpich, Thomas P. "Rates of Protein

Butterfly wing color: A photonic crystal demonstration

NASA Astrophysics Data System (ADS)

Proietti Zaccaria, Remo

2016-01-01

We have theoretically modeled the optical behavior of a natural occurring photonic crystal, as defined by the geometrical characteristics of the Teinopalpus Imperialis butterfly. In particular, following a genetic algorithm approach, we demonstrate how its wings follow a triclinic crystal geometry with a tetrahedron unit base. By performing both photonic band analysis and transmission/reflection simulations, we are able to explain the characteristic colors emerging by the butterfly wings, thus confirming their crystal form.

Vibration manual

NASA Technical Reports Server (NTRS)

Green, C.

1971-01-01

Guidelines of the methods and applications used in vibration technology at the MSFC are presented. The purpose of the guidelines is to provide a practical tool for coordination and understanding between industry and government groups concerned with vibration of systems and equipments. Topics covered include measuring, reducing, analyzing, and methods for obtaining simulated environments and formulating vibration specifications. Methods for vibration and shock testing, theoretical aspects of data processing, vibration response analysis, and techniques of designing for vibration are also presented.

Research on stability of nozzle-floating plate institution

NASA Astrophysics Data System (ADS)

Huang, Bin; Tao, Jiayue; Yi, Jiajing; Chen, Shijing

2016-01-01

In this paper, air hammer instability of nozzle-floating plate institution in gas lubricated force sensor were studied. Through establishment of the theoretical model for the analysis of the nozzle-floating plate institution stability, combined with air hammer stability judgment theorems, we had some simulation research on the radius of the nozzle, the radius of the pressure chamber, pressure chamber depth, orifice radius and the relationship between air supply pressure and bearing capacity, in order to explore the instability mechanism of nozzle-floating plate institution. For conducting experimental observations for the stability of two groups nozzle-floating plate institution, which have typical structural parameters conducted experimental observations. We set up a special experimental device, verify the correctness of the theoretical study and simulation results. This paper shows that in the nozzle-floating plate institution, increasing the nozzle diameter, reduced pressure chamber radius, reducing the depth of the pressure chamber and increase the supply orifice radius, and other measures is conducive to system stability. Results of this study have important implications for research and design of gas lubricated force sensor.

Nonlinear stability research on the hydraulic system of double-side rolling shear.

PubMed

Wang, Jun; Huang, Qingxue; An, Gaocheng; Qi, Qisong; Sun, Binyu

2015-10-01

This paper researches the stability of the nonlinear system taking the hydraulic system of double-side rolling shear as an example. The hydraulic system of double-side rolling shear uses unsymmetrical electro-hydraulic proportional servo valve to control the cylinder with single piston rod, which can make best use of the space and reduce reversing shock. It is a typical nonlinear structure. The nonlinear state-space equations of the unsymmetrical valve controlling cylinder system are built first, and the second Lyapunov method is used to evaluate its stability. Second, the software AMEsim is applied to simulate the nonlinear system, and the results indicate that the system is stable. At last, the experimental results show that the system unsymmetrical valve controlling the cylinder with single piston rod is stable and conforms to what is deduced by theoretical analysis and simulation. The construction and application of Lyapunov function not only provide the theoretical basis for using of unsymmetrical valve controlling cylinder with single piston rod but also develop a new thought for nonlinear stability evaluation.

Nonlinear stability research on the hydraulic system of double-side rolling shear

NASA Astrophysics Data System (ADS)

Wang, Jun; Huang, Qingxue; An, Gaocheng; Qi, Qisong; Sun, Binyu

2015-10-01

This paper researches the stability of the nonlinear system taking the hydraulic system of double-side rolling shear as an example. The hydraulic system of double-side rolling shear uses unsymmetrical electro-hydraulic proportional servo valve to control the cylinder with single piston rod, which can make best use of the space and reduce reversing shock. It is a typical nonlinear structure. The nonlinear state-space equations of the unsymmetrical valve controlling cylinder system are built first, and the second Lyapunov method is used to evaluate its stability. Second, the software AMEsim is applied to simulate the nonlinear system, and the results indicate that the system is stable. At last, the experimental results show that the system unsymmetrical valve controlling the cylinder with single piston rod is stable and conforms to what is deduced by theoretical analysis and simulation. The construction and application of Lyapunov function not only provide the theoretical basis for using of unsymmetrical valve controlling cylinder with single piston rod but also develop a new thought for nonlinear stability evaluation.

A Power-Frequency Electric Field Sensor for Portable Measurement

PubMed Central

Xiao, Dongping; Ma, Qichao; Xie, Yutong; Zheng, Qi

2018-01-01

In this paper, a new type of electric field sensor is proposed for the health and safety protection of inspection staff in high-voltage environments. Compared with the traditional power frequency electric field measurement instruments, the portable instrument has some special performance requirements and, thus, a new kind of double spherical shell sensor is presented. First, the mathematical relationships between the induced voltage of the sensor, the output voltage of the measurement circuit, and the original electric field in free space are deduced theoretically. These equations show the principle of the proposed sensor to measure the electric field and the effect factors of the measurement. Next, the characteristics of the sensor are analyzed through simulation. The simulation results are in good agreement with the theoretical analysis. The influencing rules of the size and material of the sensor on the measurement results are summarized. Then, the proposed sensor and the matching measurement system are used in a physical experiment. After calibration, the error of the measurement system is discussed. Lastly, the directional characteristic of the proposed sensor is experimentally tested. PMID:29614753

Verification of Small Hole Theory for Application to Wire Chaffing Resulting in Shield Faults

NASA Technical Reports Server (NTRS)

Schuet, Stefan R.; Timucin, Dogan A.; Wheeler, Kevin R.

2011-01-01

Our work is focused upon developing methods for wire chafe fault detection through the use of reflectometry to assess shield integrity. When shielded electrical aircraft wiring first begins to chafe typically the resulting evidence is small hole(s) in the shielding. We are focused upon developing algorithms and the signal processing necessary to first detect these small holes prior to incurring damage to the inner conductors. Our approach has been to develop a first principles physics model combined with probabilistic inference, and to verify this model with laboratory experiments as well as through simulation. Previously we have presented the electromagnetic small-hole theory and how it might be applied to coaxial cable. In this presentation, we present our efforts to verify this theoretical approach with high-fidelity electromagnetic simulations (COMSOL). Laboratory observations are used to parameterize the computationally efficient theoretical model with probabilistic inference resulting in quantification of hole size and location. Our efforts in characterizing faults in coaxial cable are subsequently leading to fault detection in shielded twisted pair as well as analysis of intermittent faulty connectors using similar techniques.

Complete passive vibration suppression using multi-layered piezoelectric element, inductor, and resistor

NASA Astrophysics Data System (ADS)

Yamada, Keisuke

2017-01-01

This paper describes passive technique for suppressing vibration in flexible structures using a multi-layered piezoelectric element, an inductor, and a resistor. The objective of using a multi-layered piezoelectric element is to increase its capacitance. A piezoelectric element with a large capacitance value does not require an active electrical circuit to simulate an inductor with a large inductance value. The effect of multi-layering of piezoelectric elements was theoretically analyzed through an equivalent transformation of a multi-layered piezoelectric element into a single-layered piezoelectric element. The governing equations were derived using this equivalent transformation. The effect of the resistances of the inductor and piezoelectric elements were considered because the sum of these resistances may exceed the optimum resistance. The performance of the passive vibration suppression using an LR circuit was compared to that of the method where a resistive circuit is used assuming that the sum of the resistances of the inductor and piezoelectric elements exceeds the optimum resistance. The effectiveness of the proposed method and theoretical analysis was verified through simulations and experiments.

A Power-Frequency Electric Field Sensor for Portable Measurement.

PubMed

Xiao, Dongping; Ma, Qichao; Xie, Yutong; Zheng, Qi; Zhang, Zhanlong

2018-03-31

In this paper, a new type of electric field sensor is proposed for the health and safety protection of inspection staff in high-voltage environments. Compared with the traditional power frequency electric field measurement instruments, the portable instrument has some special performance requirements and, thus, a new kind of double spherical shell sensor is presented. First, the mathematical relationships between the induced voltage of the sensor, the output voltage of the measurement circuit, and the original electric field in free space are deduced theoretically. These equations show the principle of the proposed sensor to measure the electric field and the effect factors of the measurement. Next, the characteristics of the sensor are analyzed through simulation. The simulation results are in good agreement with the theoretical analysis. The influencing rules of the size and material of the sensor on the measurement results are summarized. Then, the proposed sensor and the matching measurement system are used in a physical experiment. After calibration, the error of the measurement system is discussed. Lastly, the directional characteristic of the proposed sensor is experimentally tested.

Generation of temperature anisotropy for alpha particle velocity distributions in solar wind at 0.3 AU: Vlasov simulations and Helios observations

NASA Astrophysics Data System (ADS)

Perrone, D.; Bourouaine, S.; Valentini, F.; Marsch, E.; Veltri, P.

2014-04-01

Solar wind "in situ" measurements from the Helios spacecraft in regions of the Heliosphere close to the Sun (˜0.3 AU), at which typical values of the proton plasma beta are observed to be lower than unity, show that the alpha particle distribution functions depart from the equilibrium Maxwellian configuration, displaying significant elongations in the direction perpendicular to the background magnetic field. In the present work, we made use of multi-ion hybrid Vlasov-Maxwell simulations to provide theoretical support and interpretation to the empirical evidences above. Our numerical results show that, at variance with the case of βp≃1 discussed in Perrone et al. (2011), for βp=0.1 the turbulent cascade in the direction parallel to the ambient magnetic field is not efficient in transferring energy toward scales shorter than the proton inertial length. Moreover, our numerical analysis provides new insights for the theoretical interpretation of the empirical evidences obtained from the Helios spacecraft, concerning the generation of temperature anisotropy in the particle velocity distributions.

Integrated experimental and theoretical approach for the structural characterization of Hg2+ aqueous solutions

NASA Astrophysics Data System (ADS)

D'Angelo, Paola; Migliorati, Valentina; Mancini, Giordano; Barone, Vincenzo; Chillemi, Giovanni

2008-02-01

The structural and dynamic properties of the solvated Hg2+ ion in aqueous solution have been investigated by a combined experimental-theoretical approach employing x-ray absorption spectroscopy and molecular dynamics (MD) simulations. This method allows one to perform a quantitative analysis of the x-ray absorption near-edge structure (XANES) spectra of ionic solutions using a proper description of the thermal and structural fluctuations. XANES spectra have been computed starting from the MD trajectory, without carrying out any minimization in the structural parameter space. The XANES experimental data are accurately reproduced by a first-shell heptacoordinated cluster only if the second hydration shell is included in the calculations. These results confirm at the same time the existence of a sevenfold first hydration shell for the Hg2+ ion in aqueous solution and the reliability of the potentials used in the MD simulations. The combination of MD and XANES is found to be very helpful to get important new insights into the quantitative estimation of structural properties of disordered systems.

A brief overview of computational structures technology related activities at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Hopkins, Dale A.

1992-01-01

The presentation gives a partial overview of research and development underway in the Structures Division of LeRC, which collectively is referred to as the Computational Structures Technology Program. The activities in the program are diverse and encompass four major categories: (1) composite materials and structures; (2) probabilistic analysis and reliability; (3) design optimization and expert systems; and (4) computational methods and simulation. The approach of the program is comprehensive and entails exploration of fundamental theories of structural mechanics to accurately represent the complex physics governing engine structural performance, formulation, and implementation of computational techniques and integrated simulation strategies to provide accurate and efficient solutions of the governing theoretical models by exploiting the emerging advances in computer technology, and validation and verification through numerical and experimental tests to establish confidence and define the qualities and limitations of the resulting theoretical models and computational solutions. The program comprises both in-house and sponsored research activities. The remainder of the presentation provides a sample of activities to illustrate the breadth and depth of the program and to demonstrate the accomplishments and benefits that have resulted.

Theoretical basis, experimental design, and computerized simulation of synergism and antagonism in drug combination studies.

PubMed

Chou, Ting-Chao

2006-09-01

The median-effect equation derived from the mass-action law principle at equilibrium-steady state via mathematical induction and deduction for different reaction sequences and mechanisms and different types of inhibition has been shown to be the unified theory for the Michaelis-Menten equation, Hill equation, Henderson-Hasselbalch equation, and Scatchard equation. It is shown that dose and effect are interchangeable via defined parameters. This general equation for the single drug effect has been extended to the multiple drug effect equation for n drugs. These equations provide the theoretical basis for the combination index (CI)-isobologram equation that allows quantitative determination of drug interactions, where CI < 1, = 1, and > 1 indicate synergism, additive effect, and antagonism, respectively. Based on these algorithms, computer software has been developed to allow automated simulation of synergism and antagonism at all dose or effect levels. It displays the dose-effect curve, median-effect plot, combination index plot, isobologram, dose-reduction index plot, and polygonogram for in vitro or in vivo studies. This theoretical development, experimental design, and computerized data analysis have facilitated dose-effect analysis for single drug evaluation or carcinogen and radiation risk assessment, as well as for drug or other entity combinations in a vast field of disciplines of biomedical sciences. In this review, selected examples of applications are given, and step-by-step examples of experimental designs and real data analysis are also illustrated. The merging of the mass-action law principle with mathematical induction-deduction has been proven to be a unique and effective scientific method for general theory development. The median-effect principle and its mass-action law based computer software are gaining increased applications in biomedical sciences, from how to effectively evaluate a single compound or entity to how to beneficially use multiple drugs or modalities in combination therapies.

Investigation of advanced phase-shifting projected fringe profilometry techniques

NASA Astrophysics Data System (ADS)

Liu, Hongyu

1999-11-01

The phase-shifting projected fringe profilometry (PSPFP) technique is a powerful tool in the profile measurements of rough engineering surfaces. Compared with other competing techniques, this technique is notable for its full-field measurement capacity, system simplicity, high measurement speed, and low environmental vulnerability. The main purpose of this dissertation is to tackle three important problems, which severely limit the capability and the accuracy of the PSPFP technique, with some new approaches. Chapter 1 provides some background information of the PSPFP technique including the measurement principles, basic features, and related techniques is briefly introduced. The objectives and organization of the thesis are also outlined. Chapter 2 gives a theoretical treatment to the absolute PSPFP measurement. The mathematical formulations and basic requirements of the absolute PSPFP measurement and its supporting techniques are discussed in detail. Chapter 3 introduces the experimental verification of the proposed absolute PSPFP technique. Some design details of a prototype system are discussed as supplements to the previous theoretical analysis. Various fundamental experiments performed for concept verification and accuracy evaluation are introduced together with some brief comments. Chapter 4 presents the theoretical study of speckle- induced phase measurement errors. In this analysis, the expression for speckle-induced phase errors is first derived based on the multiplicative noise model of image- plane speckles. The statistics and the system dependence of speckle-induced phase errors are then thoroughly studied through numerical simulations and analytical derivations. Based on the analysis, some suggestions on the system design are given to improve measurement accuracy. Chapter 5 discusses a new technique combating surface reflectivity variations. The formula used for error compensation is first derived based on a simplified model of the detection process. The techniques coping with two major effects of surface reflectivity variations are then introduced. Some fundamental problems in the proposed technique are studied through simulations. Chapter 6 briefly summarizes the major contributions of the current work and provides some suggestions for the future research.

Theoretical substantiation of biological efficacy enhancement for β-delayed particle decay {sup 9}C beam: A Monte Carlo study in combination with analysis with the local effect model approach

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

Tian, Liheng; Yan, Yuanlin; Ma, Yuanyuan

Purpose: To improve the efficacy of heavy ion therapy, β-delayed particle decay {sup 9}C beam as a double irradiation source for cancer therapy has been proposed. The authors’ previous experiment showed that relative biological effectiveness (RBE) values at the depths around the Bragg peak of a {sup 9}C beam were enhanced and compared to its stable counterpart {sup 12}C beam. The purpose of this study was to explore the nature of the biological efficacy enhancement theoretically. Methods: A Monte Carlo simulation study was conducted in this study. First a simplified cell model was established so as to form a tumormore » tissue. Subsequently, the tumor tissue was imported into the Monte Carlo simulation software package GATE and then the tumor cells were virtually irradiated with comparable {sup 9}C and {sup 12}C beams, respectively, in the simulations. The transportation and particle deposition data of the {sup 9}C and {sup 12}C beams, derived from the GATE simulations, were analyzed with the authors’ local effect model implementation so as to deduce cell survival fractions. Results: The particles emitted from the decay process of deposited {sup 9}C particles around a cell nucleus increased the dose delivered to the nucleus and elicited clustered damages around the secondary particles’ trajectories. Therefore, compared to the {sup 12}C beam, the RBE value of the {sup 9}C beam increased at the depths around their Bragg peaks. Conclusions: Collectively, the increased local doses and clustered damages due to the decayed particles emitted from deposited {sup 9}C particles led to the RBE enhancement in contrast with the {sup 12}C beam. Thus, the enhanced RBE effect of a {sup 9}C beam for a simplified tumor model was shown theoretically in this study.« less

Fluid flow dynamics in MAS systems

NASA Astrophysics Data System (ADS)

Wilhelm, Dirk; Purea, Armin; Engelke, Frank

2015-08-01

The turbine system and the radial bearing of a high performance magic angle spinning (MAS) probe with 1.3 mm-rotor diameter has been analyzed for spinning rates up to 67 kHz. We focused mainly on the fluid flow properties of the MAS system. Therefore, computational fluid dynamics (CFD) simulations and fluid measurements of the turbine and the radial bearings have been performed. CFD simulation and measurement results of the 1.3 mm-MAS rotor system show relatively low efficiency (about 25%) compared to standard turbo machines outside the realm of MAS. However, in particular, MAS turbines are mainly optimized for speed and stability instead of efficiency. We have compared MAS systems for rotor diameter of 1.3-7 mm converted to dimensionless values with classical turbomachinery systems showing that the operation parameters (rotor diameter, inlet mass flow, spinning rate) are in the favorable range. This dimensionless analysis also supports radial turbines for low speed MAS probes and diagonal turbines for high speed MAS probes. Consequently, a change from Pelton type MAS turbines to diagonal turbines might be worth considering for high speed applications. CFD simulations of the radial bearings have been compared with basic theoretical values proposing considerably smaller frictional loss values. The discrepancies might be due to the simple linear flow profile employed for the theoretical model. Frictional losses generated inside the radial bearings result in undesired heat-up of the rotor. The rotor surface temperature distribution computed by CFD simulations show a large temperature gradient over the rotor.

Optimum Laser Beam Characteristics for Achieving Smoother Ablations in Laser Vision Correction.

PubMed

Verma, Shwetabh; Hesser, Juergen; Arba-Mosquera, Samuel

2017-04-01

Controversial opinions exist regarding optimum laser beam characteristics for achieving smoother ablations in laser-based vision correction. The purpose of the study was to outline a rigorous simulation model for simulating shot-by-shot ablation process. The impact of laser beam characteristics like super Gaussian order, truncation radius, spot geometry, spot overlap, and lattice geometry were tested on ablation smoothness. Given the super Gaussian order, the theoretical beam profile was determined following Lambert-Beer model. The intensity beam profile originating from an excimer laser was measured with a beam profiler camera. For both, the measured and theoretical beam profiles, two spot geometries (round and square spots) were considered, and two types of lattices (reticular and triangular) were simulated with varying spot overlaps and ablated material (cornea or polymethylmethacrylate [PMMA]). The roughness in ablation was determined by the root-mean-square per square root of layer depth. Truncating the beam profile increases the roughness in ablation, Gaussian profiles theoretically result in smoother ablations, round spot geometries produce lower roughness in ablation compared to square geometry, triangular lattices theoretically produce lower roughness in ablation compared to the reticular lattice, theoretically modeled beam profiles show lower roughness in ablation compared to the measured beam profile, and the simulated roughness in ablation on PMMA tends to be lower than on human cornea. For given input parameters, proper optimum parameters for minimizing the roughness have been found. Theoretically, the proposed model can be used for achieving smoothness with laser systems used for ablation processes at relatively low cost. This model may improve the quality of results and could be directly applied for improving postoperative surface quality.

Cosmological N-body Simulation of Galaxy and Large-Scale Structure Formation: The Gravity Frontier

NASA Astrophysics Data System (ADS)

Klypin, Anatoly

2015-04-01

One of the first N-body simulations done almost 50 years ago had only 200 self-gravitating particles. Even this first baby step made substantial impact on understanding how astronomical objects should form. Now powerful supercomputers and new algorithms allow astronomers produce N-body simulations that employ up to a trillion dark matter particles and produce vital theoretical predictions regarding formation, evolution, structure and statistics of objects ranging from dwarf galaxies to clusters and superclusters of galaxies. With only gravity involved in these theoretical models, one would naively expect that by now we should know everything we need about N-body dynamics of cosmological fluctuations. Not the case. It appears that the Universe was not cooperative and gave us divergencies in the initial conditions generated during the Inflation epoch and subsequent expansion of the Universe - the infinite phase-space density and divergent density fluctuations. Ever increasing observational demands on statistics and accuracy of theoretical predictions is another driving force for more realistic and larger N-body simulations. Large current and new planned observational projects such as BOSS, eBOSS, Euclid, LSST will bring information on spatial distribution, motion, and properties of millions of galaxies at different redshifts. Direct simulations of evolution of gas and formation of stars for millions of forming galaxies will not be available for years leaving astronomers with the only option - to develop methods to combine large N-body simulations with models of galaxy formation to produce accurate theoretical predictions. I will discuss the current status of the field and directions of its development.

Application of scenario analysis and multiagent technique in land-use planning: a case study on Sanjiang wetlands.

PubMed

Yu, Huan; Ni, Shi-Jun; Kong, Bo; He, Zheng-Wei; Zhang, Cheng-Jiang; Zhang, Shu-Qing; Pan, Xin; Xia, Chao-Xu; Li, Xuan-Qiong

2013-01-01

Land-use planning has triggered debates on social and environmental values, in which two key questions will be faced: one is how to see different planning simulation results instantaneously and apply the results back to interactively assist planning work; the other is how to ensure that the planning simulation result is scientific and accurate. To answer these questions, the objective of this paper is to analyze whether and how a bridge can be built between qualitative and quantitative approaches for land-use planning work and to find out a way to overcome the gap that exists between the ability to construct computer simulation models to aid integrated land-use plan making and the demand for them by planning professionals. The study presented a theoretical framework of land-use planning based on scenario analysis (SA) method and multiagent system (MAS) simulation integration and selected freshwater wetlands in the Sanjiang Plain of China as a case study area. Study results showed that MAS simulation technique emphasizing quantitative process effectively compensated for the SA method emphasizing qualitative process, which realized the organic combination of qualitative and quantitative land-use planning work, and then provided a new idea and method for the land-use planning and sustainable managements of land resources.

Application of Scenario Analysis and Multiagent Technique in Land-Use Planning: A Case Study on Sanjiang Wetlands

PubMed Central

Ni, Shi-Jun; He, Zheng-Wei; Zhang, Cheng-Jiang; Zhang, Shu-Qing; Pan, Xin; Xia, Chao-Xu; Li, Xuan-Qiong

2013-01-01

Land-use planning has triggered debates on social and environmental values, in which two key questions will be faced: one is how to see different planning simulation results instantaneously and apply the results back to interactively assist planning work; the other is how to ensure that the planning simulation result is scientific and accurate. To answer these questions, the objective of this paper is to analyze whether and how a bridge can be built between qualitative and quantitative approaches for land-use planning work and to find out a way to overcome the gap that exists between the ability to construct computer simulation models to aid integrated land-use plan making and the demand for them by planning professionals. The study presented a theoretical framework of land-use planning based on scenario analysis (SA) method and multiagent system (MAS) simulation integration and selected freshwater wetlands in the Sanjiang Plain of China as a case study area. Study results showed that MAS simulation technique emphasizing quantitative process effectively compensated for the SA method emphasizing qualitative process, which realized the organic combination of qualitative and quantitative land-use planning work, and then provided a new idea and method for the land-use planning and sustainable managements of land resources. PMID:23818816

The Effect of Dilution on the Structure of Microbial Communities

NASA Technical Reports Server (NTRS)

Mills, Aaron L.

2000-01-01

To determine how dilution of microbial communities affects the diversity of the diluted assemblage a series of numerical simulations were conducted that determined the theoretical change in diversity, richness, and evenness of the community with serial dilution. The results of the simulation suggested that the effects are non linear with a high degree of dependence on the initial evenness of the community being diluted. A series of incubation experiments using a range of dilutions of raw sewage as an inoculum into sterile sewage was used for comparison to the simulations. The diluted communities were maintained in batch fed reactors (three day retention time) for nine days. The communities were harvested and examined by conventional plating and by molecular analysis of the whole-community DNA using AFLP and T-RFLP. Additional, CLPP analysis was also applied. The effects on richness predicted by the numerical simulations were confirmed by the analyses used. The diluted communities fell into three groups, a low dilution, intermediate dilution, and high dilution group, which corresponded well with the groupings obtained for community richness in simulation. The grouping demonstrated the non-linear nature of dilution of whole communities. Furthermore, the results implied that the undiluted community consisted of a few dominant types accompanied by a number of rare (low abundance) types as is typical in unevenly distributed communities.

Stability and Hopf bifurcation in a simplified BAM neural network with two time delays.

PubMed

Cao, Jinde; Xiao, Min

2007-03-01

Various local periodic solutions may represent different classes of storage patterns or memory patterns, and arise from the different equilibrium points of neural networks (NNs) by applying Hopf bifurcation technique. In this paper, a bidirectional associative memory NN with four neurons and multiple delays is considered. By applying the normal form theory and the center manifold theorem, analysis of its linear stability and Hopf bifurcation is performed. An algorithm is worked out for determining the direction and stability of the bifurcated periodic solutions. Numerical simulation results supporting the theoretical analysis are also given.

Theoretical and experimental study of polycyclic aromatic compounds as β-tubulin inhibitors.

PubMed

Olazarán, Fabian E; García-Pérez, Carlos A; Bandyopadhyay, Debasish; Balderas-Rentería, Isaias; Reyes-Figueroa, Angel D; Henschke, Lars; Rivera, Gildardo

2017-03-01

In this work, through a docking analysis of compounds from the ZINC chemical library on human β-tubulin using high performance computer cluster, we report new polycyclic aromatic compounds that bind with high energy on the colchicine binding site of β-tubulin, suggesting three new key amino acids. However, molecular dynamic analysis showed low stability in the interaction between ligand and receptor. Results were confirmed experimentally in in vitro and in vivo models that suggest that molecular dynamics simulation is the best option to find new potential β-tubulin inhibitors. Graphical abstract Bennett's acceptance ratio (BAR) method.

A concept analysis of critical thinking: A guide for nurse educators.

PubMed

Von Colln-Appling, Christina; Giuliano, Danielle

2017-02-01

In research literature, the concept of critical thinking has been widely utilized in nursing education. However, critical thinking has been defined and evaluated using a variety of methods. This paper presents a concept analysis to define and clarify the concept of critical thinking to provide a deeper understanding of how critical thinking can be incorporated into nursing education through the use of simulation exercises. A theoretical definition and sample cases were developed to illuminate the concept as well as a discussion of the antecedents, consequences, and empirical referents of critical thinking. Copyright © 2016 Elsevier Ltd. All rights reserved.

Off-road motorbike performance analysis using a rear semi-active suspension

NASA Astrophysics Data System (ADS)

Lozoya-Santos, Jorge de J.; Cervantes-Muñoz, Damián.; Ramírez Mendoza, Ricardo

2015-04-01

The topic of this paper is the analysis of a control system for a semi active rear suspension in an off-road 2-wheel vehicle. Several control methods are studied, as well as the recently proposed Frequency Estimation Based (FEB) algorithm. The test motorcycle dynamics, as well as the passive, semi active, and the algorithm controlled shock absorber models are loaded into BikeSim, a professional two-wheeled vehicle simulation software, and tested in several road conditions. The results show a detailed comparison of the theoretical performance of the different control approaches in a novel environment for semi active dampers.

Foundations of a query and simulation system for the modeling of biochemical and biological processes.

PubMed

Antoniotti, M; Park, F; Policriti, A; Ugel, N; Mishra, B

2003-01-01

The analysis of large amounts of data, produced as (numerical) traces of in vivo, in vitro and in silico experiments, has become a central activity for many biologists and biochemists. Recent advances in the mathematical modeling and computation of biochemical systems have moreover increased the prominence of in silico experiments; such experiments typically involve the simulation of sets of Differential Algebraic Equations (DAE), e.g., Generalized Mass Action systems (GMA) and S-systems. In this paper we reason about the necessary theoretical and pragmatic foundations for a query and simulation system capable of analyzing large amounts of such trace data. To this end, we propose to combine in a novel way several well-known tools from numerical analysis (approximation theory), temporal logic and verification, and visualization. The result is a preliminary prototype system: simpathica/xssys. When dealing with simulation data simpathica/xssys exploits the special structure of the underlying DAE, and reduces the search space in an efficient way so as to facilitate any queries about the traces. The proposed system is designed to give the user possibility to systematically analyze and simultaneously query different possible timed evolutions of the modeled system.

BFS Simulation and Experimental Analysis of the Effect of Ti Additions on the Structure of NiAl

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Ferrante,John; Garg, Anita; Honecy, Frank S.; Amador, Carlos

1999-01-01

The Bozzolo-Ferrante-Smith (BFS) method for alloy energetics is applied to the study of ternary additions to NiAl. A description of the method and its application to alloy design is given. Two different approaches are used in the analysis of the effect of Ti additions to NiAl. First, a thorough analytical study is performed, where the energy of formation, lattice parameter and bulk modulus are calculated for a large number of possible atomic distributions of Ni, Al and Ti. Substitutional site preference schemes and formation of precipitates are thus predicted and analyzed. The second approach used consists of the determination of temperature effects on the final results, as obtained by performing a number of large scale numerical simulations using the Monte Carlo-Metropolis procedure and BFS for the calculation of the energy at every step in the simulation. The results indicate a sharp preference of Ti for Al sites in Ni-rich NiAl alloys and the formation of ternary Heusler precipitates beyond the predicted solubility limit of 5 at. % Ti. Experimental analysis of three Ni-Al-Ti alloys confirms the theoretical predictions.

Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms.

PubMed

Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

2015-08-14

High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms.

Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms

PubMed Central

Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

2015-01-01

High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms. PMID:26287203

Atomistic Simulations and Experimental Analysis of the Effect of Ti Additions on the Structure of NiAl

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Ferrante, John; Garg, Anita; Amador, Carlos

1997-01-01

The Bozzolo-Ferrante-Smith (BFS) semiempirical method for alloy energetics is applied to the study of ternary additions to NiAl alloys. A detailed description of the method and its application to alloy design is given. Two different approaches are used in the analysis of the effect of Ti additions to NiAl. First, a thorough analytical study is performed, where the energy of formation, lattice parameter and bulk modulus are calculated for hundreds of possible atomic distributions of Ni, Al and Ti. Substitutional site preference schemes and formation of precipitates are thus predicted and analyzed. The second approach used consists of the determination of temperature effects on the final results, as obtained by performing a number of large scale numerical simulations using the Monte Carlo - Metropolis procedure and BFS for the calculation of the energy at every step in the simulation. The results indicate a sharp preference of Ti for Al sites in Ni-rich NiAl alloys and the formation of ternary Heusler precipitates beyond the predicted solubility limit of 5 at. % Ti. Experimental analysis of three NiAl+Ti alloys confirms the theoretical predictions.

Left ventricular fluid mechanics: the long way from theoretical models to clinical applications.

PubMed

Pedrizzetti, Gianni; Domenichini, Federico

2015-01-01

The flow inside the left ventricle is characterized by the formation of vortices that smoothly accompany blood from the mitral inlet to the aortic outlet. Computational fluid dynamics permitted to shed some light on the fundamental processes involved with vortex motion. More recently, patient-specific numerical simulations are becoming an increasingly feasible tool that can be integrated with the developing imaging technologies. The existing computational methods are reviewed in the perspective of their potential role as a novel aid for advanced clinical analysis. The current results obtained by simulation methods either alone or in combination with medical imaging are summarized. Open problems are highlighted and perspective clinical applications are discussed.

Array Simulations Platform (ASP) predicts NASA Data Link Module (NDLM) performance

NASA Technical Reports Server (NTRS)

Snook, Allen David

1993-01-01

Through a variety of imbedded theoretical and actual antenna patterns, the array simulation platform (ASP) enhanced analysis of the array antenna pattern effects for the KTx (Ku-Band Transmit) service of the NDLM (NASA Data Link Module). The ASP utilizes internally stored models of the NDLM antennas and can develop the overall pattern of antenna arrays through common array calculation techniques. ASP expertly assisted in the diagnosing of element phase shifter errors during KTx testing and was able to accurately predict the overall array pattern from combinations of the four internally held element patterns. This paper provides an overview of the use of the ASP software in the solving of array mis-phasing problems.

Design of a cross-connected charge pump for energy harvesting systems

NASA Astrophysics Data System (ADS)

Eguchi, K.; Fujisaki, H.; Asadi, F.; Oota, I.

2018-03-01

For energy harvesting systems, a novel charge pump with cross-connected structure is proposed in this paper. Owing to the cross-connected structure, the proposed charge pump can offer the output voltage to the output load at every phase. Furthermore, the proposed charge pump can reduce the number of circuit stages from the conventional charge pump. For above-mentioned reasons, the proposed charge pump can realize not only smaller internal resistance but also smaller output capacitance than the conventional charge pump. The theoretical analysis and simulation program with integrated circuit emphasis (SPICE) simulation demonstrate that the proposed charge pump outperforms the conventional charge pump in the point of power efficiency and circuit speed.

Benchmarking of Computational Models for NDE and SHM of Composites

NASA Technical Reports Server (NTRS)

Wheeler, Kevin; Leckey, Cara; Hafiychuk, Vasyl; Juarez, Peter; Timucin, Dogan; Schuet, Stefan; Hafiychuk, Halyna

2016-01-01

Ultrasonic wave phenomena constitute the leading physical mechanism for nondestructive evaluation (NDE) and structural health monitoring (SHM) of solid composite materials such as carbon-fiber-reinforced polymer (CFRP) laminates. Computational models of ultrasonic guided-wave excitation, propagation, scattering, and detection in quasi-isotropic laminates can be extremely valuable in designing practically realizable NDE and SHM hardware and software with desired accuracy, reliability, efficiency, and coverage. This paper presents comparisons of guided-wave simulations for CFRP composites implemented using three different simulation codes: two commercial finite-element analysis packages, COMSOL and ABAQUS, and a custom code implementing the Elastodynamic Finite Integration Technique (EFIT). Comparisons are also made to experimental laser Doppler vibrometry data and theoretical dispersion curves.

Some theoretical considerations of longitudinal stability in power-on flight with special reference to wind-tunnel testing, November 1942

NASA Technical Reports Server (NTRS)

Donlan, C. J.

1976-01-01

Some problems relating to longitudinal stability in power-on flight are considered. A derivation is included which shows that, under certain conditions, the rate of change of the pitching moment coefficient with lift coefficient as obtained in wind tunnel tests simulating constant power operation is directly proportional to one of the indices of stability commonly associated with flight analysis, (the slope of the curve relating the elevator angle for trim and lift coefficient). The necessity of analyzing power-on wind tunnel data for trim conditions is emphasized, and a method is provided for converting data obtained from constant thrust tests to simulated constant throttle flight conditions.

Simulations and observations of cloudtop processes

NASA Technical Reports Server (NTRS)

Siems, S. T.; Bretherton, C. S.; Baker, M. B.

1990-01-01

Turbulent entrainment at zero mean shear stratified interfaces has been studied extensively in the laboratory and theoretically for the classical situation in which density is a passive tracer of the mixing and the turbulent motions producing the entrainment are directed toward the interface. It is the purpose of the numerical simulations and data analysis to investigate these processes and, specifically, to focus on the following questions: (1) Can local cooling below cloudtop play an important role in setting up convective circulations within the cloud, and bringing about entrainment; (2) Can Cloudtop Entrainment Instability (CEI) alone lead to runaway entrainment under geophysically realistic conditions; and (3) What are the important mechanisms of entrainment at cloudtop under zero or low mean shear conditions.

Naphtyl- and pyrenyl-flavylium dyads: Synthesis, DFT and optical properties

NASA Astrophysics Data System (ADS)

Aguilar-Castillo, Bethsy Adriana; Sánchez-Bojorge, Nora Aydee; Chávez-Flores, David; Camacho-Dávila, Alejandro A.; Pasillas-Ornelas, Eddie; Rodríguez-Valdez, Luz-María; Zaragoza-Galán, Gerardo

2018-03-01

A one-step preparation of flavylium salts containing naphtyl and pyrenyl moieties is described hereafter. Flavylium salts were successfully characterized by 1H NMR spectroscopy and ESI-MS spectrometry. Theoretical calculations were carried out by means of Density Functional Theory in order to simulate flavylium cation electronic transitions. Molecular simulation of -naphtyl derivatives displayed a coplanar conformation between naphthalene and benzopyrylium moieties. In contrast, DFT analysis exhibited a non-coplanar arrangement of pyrene and benzopyrylium units. These former statements in coherence with the absorption experiments where the naphtyl-flavylium dyads shows a red-shifted maximum absorption band with respect to pyrene dyads, led us to conclude that these bathochromic effects are associated with a more planar conformation.

A digital computer program for the dynamic interaction simulation of controls and structure (DISCOS), volume 1

NASA Technical Reports Server (NTRS)

Bodley, C. S.; Devers, A. D.; Park, A. C.; Frisch, H. P.

1978-01-01

A theoretical development and associated digital computer program system for the dynamic simulation and stability analysis of passive and actively controlled spacecraft are presented. The dynamic system (spacecraft) is modeled as an assembly of rigid and/or flexible bodies not necessarily in a topological tree configuration. The computer program system is used to investigate total system dynamic characteristics, including interaction effects between rigid and/or flexible bodies, control systems, and a wide range of environmental loadings. In addition, the program system is used for designing attitude control systems and for evaluating total dynamic system performance, including time domain response and frequency domain stability analyses.

Theory and simulation of electrolyte mixtures

NASA Astrophysics Data System (ADS)

Lee, B. Hribar; Vlachy, V.; Bhuiyan, L. B.; Outhwaite, C. W.; Molero, M.

Monte Carlo simulation and theoretical results on some aspects of thermodynamics of mixtures of electrolytes with a common species are presented. Both charge symmetric mixtures, where ions differ only in size, and charge asymmetric but size symmetric mixtures at ionic strength ranging generally from I = 10-4 to 1.0 M, and in a few cases up to I = M, are examined. The theoretical methods explored are: (i) the symmetric Poisson-Boltzmann theory, (ii) the modified Poisson-Boltzmann theory and (iii) the hypernetted-chain integral equation. The first two electrolyte mixing coefficients w0 and w1 of the various mixtures are calculated from an accurate determination of their osmotic pressure data. The theories are seen to be consistent among themselves, and with certain limiting laws in the literature, in predicting the trends of the mixing coefficients with respect to ionic strength. Some selected relevant experimental data have been analysed and compared with the theoretical and simulation trends. In addition the mean activity coefficients for a model mimicking the mixture of KCl and KF electrolytes are calculated and hence the Harned coefficients obtained for this system. These calculations are compared with the experimental data and Monte Carlo results available in the literature. The theoretically predicted Harned coefficients are in good agreement with the simulation results for the model KCl-KF mixture.

Monte Carlo simulations of dipolar and quadrupolar linear Kihara fluids. A test of thermodynamic perturbation theory

NASA Astrophysics Data System (ADS)

Garzon, B.

Several simulations of dipolar and quadrupolar linear Kihara fluids using the Monte Carlo method in the canonical ensemble have been performed. Pressure and internal energy have been directly determined from simulations and Helmholtz free energy using thermodynamic integration. Simulations were carried out for fluids of fixed elongation at two different densities and several values of temperature and dipolar or quadrupolar moment for each density. Results are compared with the perturbation theory developed by Boublik for this same type of fluid and good agreement between simulated and theoretical values was obtained especially for quadrupole fluids. Simulations are also used to obtain the liquid structure giving the first few coefficients of the expansion of pair correlation functions in terms of spherical harmonics. Estimations of the triple point temperature to critical temperature ratio are given for some dipole and quadrupole linear fluids. The stability range of the liquid phase of these substances is shortly discussed and an analysis about the opposite roles of the dipole moment and the molecular elongation on this stability is also given.

A simplified computational memory model from information processing.

PubMed

Zhang, Lanhua; Zhang, Dongsheng; Deng, Yuqin; Ding, Xiaoqian; Wang, Yan; Tang, Yiyuan; Sun, Baoliang

2016-11-23

This paper is intended to propose a computational model for memory from the view of information processing. The model, called simplified memory information retrieval network (SMIRN), is a bi-modular hierarchical functional memory network by abstracting memory function and simulating memory information processing. At first meta-memory is defined to express the neuron or brain cortices based on the biology and graph theories, and we develop an intra-modular network with the modeling algorithm by mapping the node and edge, and then the bi-modular network is delineated with intra-modular and inter-modular. At last a polynomial retrieval algorithm is introduced. In this paper we simulate the memory phenomena and functions of memorization and strengthening by information processing algorithms. The theoretical analysis and the simulation results show that the model is in accordance with the memory phenomena from information processing view.

A novel proposal of GPON-oriented fiber grating sensing data digitalization system for remote sensing network

NASA Astrophysics Data System (ADS)

Wang, Yubao; Zhu, Zhaohui; Wang, Lu; Bai, Jian

2016-05-01

A novel GPON-oriented sensing data digitalization system is proposed to achieve remote monitoring of fiber grating sensing networks utilizing existing optical communication networks in some harsh environments. In which, Quick digitalization of sensing information obtained from the reflected lightwaves by fiber Bragg grating (FBG) sensor is realized, and a novel frame format of sensor signal is designed to suit for public transport so as to facilitate sensor monitoring center to receive and analyze the sensor data. The delay effect, identification method of the sensor data, and various interference factors which influence the sensor data to be correctly received are analyzed. The system simulation is carried out with OptiSystem/Matlab co-simulation approach. The theoretical analysis and simulation results verify the feasibility of the integration of the sensor network and communication network.

Structure design and motion simulation of the pin-cycloid gear planetary reducer with ring-plate-type

NASA Astrophysics Data System (ADS)

Duan, Hongjie; Li, Lijun; Tao, Junyi

2017-06-01

The pin-cycloid gear planetary reducer with ring-plate-type is a new type of reducers. It has high transmission ratio range and high efficiency. In this paper the working principle of pin-cycloid gear planetary reducer is discussed, and the structure of the reducer is designed. Especially for the complexity and the difficulty in modelling of the cycloid gear tooth profile, the parametric design module of cycloid gear is developed to solve the cycloid gear modelling problem through the second development of Solid Works. At last, the speed schemes of the input shaft and output shaft of the reducer are obtained by the motion simulation. Through the analysis of the simulation curves, the rationality of the structure design is proved, which provides a theoretical basis for the design and manufacture of the reducer.

Measuring technical and mathematical investigation of multiple reignitions at the switching of a motor using vacuum circuit breakers

NASA Astrophysics Data System (ADS)

Luxa, Andreas

The necessary conditions in switching system and vacuum circuit breaker for the occurrence of multiple re-ignitions and accompanying effects were examined. The shape of the occurring voltages was determined in relationship to other types of overvoltage. A phenomenological model of the arc, based on an extension of the Mayr equation for arcs was used with the simulation program NETOMAC for the switching transients. Factors which affect the arc parameters were analyzed. The results were statistically verified by 3000 three-phase switching tests on 3 standard vacuum circuit breakers under realistic systems conditions; the occurring overvoltage level was measured. Dimensioning criteria for motor simulation circuits in power plants were formulated on the basis of a theoretical equivalence analysis and experimental studies. The simulation model allows a sufficiently correct estimation of all effects.

A framework for the design and development of physical employment tests and standards.

PubMed

Payne, W; Harvey, J

2010-07-01

Because operational tasks in the uniformed services (military, police, fire and emergency services) are physically demanding and incur the risk of injury, employment policy in these services is usually competency based and predicated on objective physical employment standards (PESs) based on physical employment tests (PETs). In this paper, a comprehensive framework for the design of PETs and PESs is presented. Three broad approaches to physical employment testing are described and compared: generic predictive testing; task-related predictive testing; task simulation testing. Techniques for the selection of a set of tests with good coverage of job requirements, including job task analysis, physical demands analysis and correlation analysis, are discussed. Regarding individual PETs, theoretical considerations including measurability, discriminating power, reliability and validity, and practical considerations, including development of protocols, resource requirements, administrative issues and safety, are considered. With regard to the setting of PESs, criterion referencing and norm referencing are discussed. STATEMENT OF RELEVANCE: This paper presents an integrated and coherent framework for the development of PESs and hence provides a much needed theoretically based but practically oriented guide for organisations seeking to establish valid and defensible PESs.

Convergence analysis of directed signed networks via an M-matrix approach

NASA Astrophysics Data System (ADS)

Meng, Deyuan

2018-04-01

This paper aims at solving convergence problems on directed signed networks with multiple nodes, where interactions among nodes are described by signed digraphs. The convergence analysis is achieved by matrix-theoretic and graph-theoretic tools, in which M-matrices play a central role. The fundamental digon sign-symmetry assumption upon signed digraphs can be removed with the proposed analysis approach. Furthermore, necessary and sufficient conditions are established for semi-positive and positive stabilities of Laplacian matrices of signed digraphs, respectively. A benefit of this result is that given strong connectivity, a directed signed network can achieve bipartite consensus (or state stability) if and only if the signed digraph associated with it is structurally balanced (or unbalanced). If the interactions between nodes are described by a signed digraph only with spanning trees, a directed signed network can achieve interval bipartite consensus (or state stability) if and only if the signed digraph contains a structurally balanced (or unbalanced) rooted subgraph. Simulations are given to illustrate the developed results by considering signed networks associated with digon sign-unsymmetric signed digraphs.

Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics

PubMed Central

Pandini, Alessandro; Fornili, Arianna; Fraternali, Franca; Kleinjung, Jens

2012-01-01

Allostery offers a highly specific way to modulate protein function. Therefore, understanding this mechanism is of increasing interest for protein science and drug discovery. However, allosteric signal transmission is difficult to detect experimentally and to model because it is often mediated by local structural changes propagating along multiple pathways. To address this, we developed a method to identify communication pathways by an information-theoretical analysis of molecular dynamics simulations. Signal propagation was described as information exchange through a network of correlated local motions, modeled as transitions between canonical states of protein fragments. The method was used to describe allostery in two-component regulatory systems. In particular, the transmission from the allosteric site to the signaling surface of the receiver domain NtrC was shown to be mediated by a layer of hub residues. The location of hubs preferentially connected to the allosteric site was found in close agreement with key residues experimentally identified as involved in the signal transmission. The comparison with the networks of the homologues CheY and FixJ highlighted similarities in their dynamics. In particular, we showed that a preorganized network of fragment connections between the allosteric and functional sites exists already in the inactive state of all three proteins.—Pandini, A., Fornili, A., Fraternali, F., Kleinjung, J. Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics. PMID:22071506

A study on the correlation between the dewetting temperature of Ag film and SERS intensity.

PubMed

Quan, Jiamin; Zhang, Jie; Qi, Xueqiang; Li, Junying; Wang, Ning; Zhu, Yong

2017-11-07

The thermally dewetted metal nano-islands have been actively investigated as cost-effective SERS-active substrates with a large area, good reproducibility and repeatability via simple fabrication process. However, the correlation between the dewetting temperature of metal film and SERS intensity hasn't been systematically studied. In this work, taking Ag nano-islands (AgNIs) as an example, we reported a strategy to investigate the correlation between the dewetting temperature of metal film and SERS intensity. We described the morphology evolution of AgNIs on the SiO 2 planar substrate in different temperatures and got the quantitative information in surface-limited diffusion process (SLDP) as a function of annealing temperature via classical mean-field nucleation theory. Those functions were further used in the simulation of electromagnetic field to obtain the correlation between the dewetting temperature of Ag film and theoretical analysis. In addition, Raman mapping was done on samples annealed at different temperatures, with R6G as an analyte, to accomplish the analysis of the correlation between the dewetting temperature of Ag film and SERS intensity, which is consistent with the theoretical analysis. For SLDP, we used the morphological characterization of five samples prepared by different annealing temperatures to successfully illustrate the change in SERS intensity with the temperature fluctuation, obtaining a small deviation between the experimental results and theoretic prediction.

Analysis of the disturbed electric field effects in the sporadic E-layers at equatorial and low latitude regions

NASA Astrophysics Data System (ADS)

Araujo Resende, Laysa Cristina; Moro, Juliano; Denardini, Clezio Marcos; Carrasco, Alexander J.; Batista, Paulo; Chen, Sony Su; Batista, Inez S.; Andrioli, Vania Fatima

2016-07-01

In the present work we analyze the disturbed electric field effects in the sporadic E-layers at equatorial regions, Jicamarca (11.57°S, 76.52°O, I: -2°) and São Luís (2°S, 44° O, I: -2.3°), and at low latitude regions, Fortaleza (3.9°S, 38.45°O, I: -9°) and Cachoeira Paulista (22.42°S, 45°O, I: -15°). We have conducted a deep analysis to investigate these effects using a theoretical model for the ionospheric E region, called MIRE. This model is able to simulate the Es layers taking into account the E region winds and electric fields. It calculates the densities for the main molecular (NO^{+}, O_{2}^{+}, N_{2}^{+}) and metallic ions (Fe^{+}, Mg^{+}) by solving the continuity and momentum equations for each species. The main purpose of this analysis is to verify the disturbed electric fields role in the occurrence or disruption of Es layers through simulations. The analysis show that the Es layer formation and dynamics can be influenced by the prompt penetration electric fields that occur during magnetic disturbances. Therefore, the simulations present interesting results that helps to improve the understanding of Es layer behavior during the disturbed periods.

Relative merits of rCW(A) and XiX heteronuclear spin decoupling in solid-state magic-angle-spinning NMR spectroscopy: A bimodal Floquet analysis.

PubMed

Equbal, Asif; Leskes, Michal; Nielsen, Niels Chr; Madhu, P K; Vega, Shimon

2016-02-01

We present a bimodal Floquet analysis of the recently introduced refocused continuous wave (rCW) solid-state NMR heteronuclear dipolar decoupling method and compare it with the similar looking X-inverse X (XiX) scheme. The description is formulated in the rf interaction frame and is valid for both finite and ideal π pulse rCW irradiation that forms the refocusing element in the rCW scheme. The effective heteronuclear dipolar coupling Hamiltonian up to first order is described. The analysis delineates the difference between the two sequences to different orders of their Hamiltonians for both diagonal and off-diagonal parts. All the resonance conditions observed in experiments and simulations have been characterised and their influence on residual line broadening is highlighted. The theoretical comparison substantiates the numerical simulations and experimental results to a large extent. Copyright © 2016 Elsevier Inc. All rights reserved.

The E3Σ1+ (63S1)←A3Π0+(53P1) transition in CdAr revisited: The spectrum and new analysis of the E3Σ1+ Rydberg state interatomic potential.

PubMed

Urbańczyk, T; Krośnicki, M; Kędziorski, A; Koperski, J

2018-05-05

Revisited study of the E 3 Σ 1 + (6 3 S 1 )←A 3 Π 0+ (5 3 P 1 ) transition in CdAr using both theoretical and experimental approach is presented. Systematic detection of the E 3 Σ 1 + in ,υ'←A 3 Π 0+ ,υ″=6 transition frequencies with higher accuracy and spectrally narrower laser extended and improved analysis and simulation of the LIF excitation spectrum. More consistent characterization of the E 3 Σ 1 + in -Rydberg state inner well using inversed perturbation approach methodology was achieved. Free←bound transitions in the E 3 Σ 1 + in ←A 3 Π 0+ ,υ″=6 excitation were taken into account in the analysis and simulation of the recorded spectrum. The updated spectroscopic characterization of the A 3 Π 0+ state was also revisited. Copyright © 2018 Elsevier B.V. All rights reserved.

The E3Σ1+ (63S1) ← A3Π0+(53P1) transition in CdAr revisited: The spectrum and new analysis of the E3Σ1+ Rydberg state interatomic potential

NASA Astrophysics Data System (ADS)

Urbańczyk, T.; Krośnicki, M.; Kędziorski, A.; Koperski, J.

2018-05-01

Revisited study of the E3Σ1+ (63S1) ← A3Π0+(53P1) transition in CdAr using both theoretical and experimental approach is presented. Systematic detection of the E3Σ1+in,υ' ← A3Π0+,υ″ = 6 transition frequencies with higher accuracy and spectrally narrower laser extended and improved analysis and simulation of the LIF excitation spectrum. More consistent characterization of the E3Σ1+in-Rydberg state inner well using inversed perturbation approach methodology was achieved. Free ← bound transitions in the E3Σ1+in ← A3Π0+,υ″ = 6 excitation were taken into account in the analysis and simulation of the recorded spectrum. The updated spectroscopic characterization of the A3Π0+ state was also revisited.

Theoretical and experimental investigations on the dynamic and thermodynamic characteristics of the linear compressor for the pulse tube cryocooler

NASA Astrophysics Data System (ADS)

Zhang, L.; Dang, H. Z.; Tan, J.; Bao, D.; Zhao, Y. B.; Qian, G. Z.

2015-12-01

Theoretical and experimental investigations on the dynamic and thermodynamic characteristics of a linear compressor incorporating the thermodynamic characteristics of the inertance tube pulse tube cold finger have been made. Both the compressor and cold finger are assumed as a one-dimensional thermodynamic model. The governing equations of the thermodynamic characteristics of the working gas are summarized, and the effects of the cooling performance on the working gas in the compression space are discussed. Based on the analysis of the working gas, the governing equations of the dynamic and thermodynamic characteristics of the compressor are deduced, and then the principles of achieving the optimal performance of the compressor are discussed in detail. Systematic experimental investigations are conducted on a developed moving-coil linear compressor which drives a pulse tube cold finger, which indicate the general agreement with the simulated results, and thus verify the rationality of the theoretical model and analyses.

A fractional Fourier transform analysis of a bubble excited by an ultrasonic chirp.

PubMed

Barlow, Euan; Mulholland, Anthony J

2011-11-01

The fractional Fourier transform is proposed here as a model based, signal processing technique for determining the size of a bubble in a fluid. The bubble is insonified with an ultrasonic chirp and the radiated pressure field is recorded. This experimental bubble response is then compared with a series of theoretical model responses to identify the most accurate match between experiment and theory which allows the correct bubble size to be identified. The fractional Fourier transform is used to produce a more detailed description of each response, and two-dimensional cross correlation is then employed to identify the similarities between the experimental response and each theoretical response. In this paper the experimental bubble response is simulated by adding various levels of noise to the theoretical model output. The method is compared to the standard technique of using time-domain cross correlation. The proposed method is shown to be far more robust at correctly sizing the bubble and can cope with much lower signal to noise ratios.

Theoretical and computational analyses of LNG evaporator

NASA Astrophysics Data System (ADS)

Chidambaram, Palani Kumar; Jo, Yang Myung; Kim, Heuy Dong

2017-04-01

Theoretical and numerical analysis on the fluid flow and heat transfer inside a LNG evaporator is conducted in this work. Methane is used instead of LNG as the operating fluid. This is because; methane constitutes over 80% of natural gas. The analytical calculations are performed using simple mass and energy balance equations. The analytical calculations are made to assess the pressure and temperature variations in the steam tube. Multiphase numerical simulations are performed by solving the governing equations (basic flow equations of continuity, momentum and energy equations) in a portion of the evaporator domain consisting of a single steam pipe. The flow equations are solved along with equations of species transport. Multiphase modeling is incorporated using VOF method. Liquid methane is the primary phase. It vaporizes into the secondary phase gaseous methane. Steam is another secondary phase which flows through the heating coils. Turbulence is modeled by a two equation turbulence model. Both the theoretical and numerical predictions are seen to match well with each other. Further parametric studies are planned based on the current research.

Spectral analysis, vibrational assignments, NBO analysis, NMR, UV-Vis, hyperpolarizability analysis of 2-aminofluorene by density functional theory.

PubMed

Jone Pradeepa, S; Sundaraganesan, N

2014-05-05

In this present investigation, the collective experimental and theoretical study on molecular structure, vibrational analysis and NBO analysis has been reported for 2-aminofluorene. FT-IR spectrum was recorded in the range 4000-400 cm(-1). FT-Raman spectrum was recorded in the range 4000-50 cm(-1). The molecular geometry, vibrational spectra, and natural bond orbital analysis (NBO) were calculated for 2-aminofluorene using Density Functional Theory (DFT) based on B3LYP/6-31G(d,p) model chemistry. (13)C and (1)H NMR chemical shifts of 2-aminofluorene were calculated using GIAO method. The computed vibrational and NMR spectra were compared with the experimental results. The total energy distribution (TED) was derived to deepen the understanding of different modes of vibrations contributed by respective wavenumber. The experimental UV-Vis spectra was recorded in the region of 400-200 nm and correlated with simulated spectra by suitably solvated B3LYP/6-31G(d,p) model. The HOMO-LUMO energies were measured with time dependent DFT approach. The nonlinearity of the title compound was confirmed by hyperpolarizabilty examination. Using theoretical calculation Molecular Electrostatic Potential (MEP) was investigated. Copyright © 2014 Elsevier B.V. All rights reserved.

Collisionless plasma interpenetration in a strong magnetic field for laboratory astrophysics experiments

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

Korneev, Ph., E-mail: korneev@theor.mephi.ru; National Research Nuclear University “MEPhI”, 115409, Moscow; D'Humières, E.

A theoretical analysis for astrophysics-oriented laser-matter interaction experiments in the presence of a strong ambient magnetic field is presented. It is shown that the plasma collision in the ambient magnetic field implies significant perturbations in the electron density and magnetic field distribution. This transient stage is difficult to observe in astrophysical phenomena, but it could be investigated in laboratory experiments. Analytic models are presented, which are supported by particles-in-cell simulations.

Theoretical analysis of 3D, transient convection and segregation in microgravity Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Yeckel, Andrew; de Almeida, Valmor F.; Derby, Jeffrey J.

2000-01-01

We present results from simulations of transient acceleration (g-jitter) in both axial and transverse directions in a simplified prototype of a vertical Bridgman crystal growth system. We also present results on the effects of applying a steady magnetic field in axial or transverse directions to damp the flow. In most cases application of a magnetic field suppresses flow oscillations, but for transverse jitter at intermediate frequencies, flow oscillations grow larger. .

Gunshot identification system by integration of open source consumer electronics

NASA Astrophysics Data System (ADS)

López R., Juan Manuel; Marulanda B., Jose Ignacio

2014-05-01

This work presents a prototype of low-cost gunshots identification system that uses consumer electronics in order to ensure the existence of gunshots and then classify it according to a previously established database. The implementation of this tool in the urban areas is to set records that support the forensics, hence improving law enforcement also on developing countries. An analysis of its effectiveness is presented in comparison with theoretical results obtained with numerical simulations.

Equilibrium Phase Behavior of the Square-Well Linear Microphase-Forming Model.

PubMed

Zhuang, Yuan; Charbonneau, Patrick

2016-07-07

We have recently developed a simulation approach to calculate the equilibrium phase diagram of particle-based microphase formers. Here, this approach is used to calculate the phase behavior of the square-well linear model for different strengths and ranges of the linear long-range repulsive component. The results are compared with various theoretical predictions for microphase formation. The analysis further allows us to better understand the mechanism for microphase formation in colloidal suspensions.

21CMMC with a 3D light-cone: the impact of the co-evolution approximation on the astrophysics of reionization and cosmic dawn

NASA Astrophysics Data System (ADS)

Greig, Bradley; Mesinger, Andrei

2018-07-01

We extend 21CMMC, a Monte Carlo Markov Chain sampler of 3D reionization simulations, to perform parameter estimation directly on 3D light-cones of the cosmic 21 cm signal. This brings theoretical analysis closer to the tomographic 21 cm observations achievable with next generation interferometers like the Hydrogen Epoch of Reionization Array and the Square Kilometre Array. Parameter recovery can therefore account for modes that evolve with redshift/frequency. Additionally, simulated data can be more easily corrupted to resemble real data. Using the light-cone version of 21CMMC, we quantify the biases in the recovered astrophysical parameters if we use the 21 cm power spectrum from the co-evolution approximation to fit a 3D light-cone mock observation. While ignoring the light-cone effect under most assumptions will not significantly bias the recovered astrophysical parameters, it can lead to an underestimation of the associated uncertainty. However, significant biases (˜few - 10σ) can occur if the 21 cm signal evolves rapidly (i.e. the epochs of reionization and heating overlap significantly), and (i) foreground removal is very efficient, allowing large physical scales (k ≲ 0.1 Mpc-1) to be used in the analysis or (ii) theoretical modelling is accurate to within ˜10 per cent in the power spectrum amplitude.

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Rodrigues, Vítor Hugo Nunes; Ahmad, Shabbir

2018-03-01

The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA-.AHMP+) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P21/n. The PDCA-.AHMP+ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA-.AHMP+ crystal. The experimental and simulated 13C and 1H NMR studies have assisted in structural analysis of PDCA-.AHMP+ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311++G (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.

Variation and adaptation: learning from success in patient safety-oriented simulation training.

PubMed

Dieckmann, Peter; Patterson, Mary; Lahlou, Saadi; Mesman, Jessica; Nyström, Patrik; Krage, Ralf

2017-01-01

Simulation is traditionally used to reduce errors and their negative consequences. But according to modern safety theories, this focus overlooks the learning potential of the positive performance, which is much more common than errors. Therefore, a supplementary approach to simulation is needed to unfold its full potential. In our commentary, we describe the learning from success (LFS) approach to simulation and debriefing. Drawing on several theoretical frameworks, we suggest supplementing the widespread deficit-oriented, corrective approach to simulation with an approach that focusses on systematically understanding how good performance is produced in frequent (mundane) simulation scenarios. We advocate to investigate and optimize human activity based on the connected layers of any setting: the embodied competences of the healthcare professionals, the social and organizational rules that guide their actions, and the material aspects of the setting. We discuss implications of these theoretical perspectives for the design and conduct of simulation scenarios, post-simulation debriefings, and faculty development programs.