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At least 343 records · Page 19

Linear Discriminant Analysis-Based Machine Learning and All-Atom Molecular Dynamics Simulations for Probing Electro-Osmotic Transport in Cationic-Polyelectrolyte-Brush-Grafted Nanochannels

Deciphering the correct mechanisms governing certain phenomena in polyelectrolyte (PE) brush grafted systems, revealed through atomistic simulations, is an extremely challenging problem. In a recent study, our all-atom molecular dynamics (MD) simulations revealed a non-linearly large electroosmotic (EOS) flow (in the presence of an applied electric field) in nanochannels grafted with PMETAC [Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride] brushes. Given the lack of any formal procedure that would have directed us to identify the correct factors responsible for such an occurrence, we needed to spend several months and devote significant analyses to unravel the involved mechanisms. In this paper, we propose a Linear Discriminant Analysis (LDA) based Machine Learning (ML) approach to address this gap. At first, we obtain data on certain basic features from the all-atom MD data. These basic features represent the number of atoms of certain species around one atom of another (or same) species. Here, we obtain such data on basic features for a reference case (case of an EOS flow in PMETAC-brush-grafted nanochannels with a smaller electric field) and a perturbed case (case of an EOS flow in PMETAC-brush-grafted nanochannels with a larger electric field) in bins in which the nanochannel half height has been divided into. These datasets are high-dimensional dataset, to which the LDA is applied. This leads to the projection of the data (between the reference and the perturbed states) in a highly separated form on a 1D line. From such LDA calculations, we are able to identify the relative importance of the different basic features in ensuring this separation of the data (between the reference and the perturbed states) on the 1D line. This relative importance of the different basic features is quantified as “importance scores” for the different features, which in turn tell us what to study and where to study. Such knowledge enables us to rapidly identify the key factors responsible for the non-linearly large EOS transport in PMETAC-brush-grafted nanochannels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bifurcation dynamics of the tempered fractional Langevin equation

Tempered fractional processes offer a useful extension for turbulence to include low frequencies. In this paper, we investigate the stochastic phenomenological bifurcation, or stochastic P-bifurcation, of the Langevin equation perturbed by tempered fractional Brownian motion. However, most standard tools from the well-studied framework of random dynamical systems cannot be applied to systems driven by non-Markovian noise, so it is desirable to construct possible approaches in a non-Markovian framework. We first derive the spectral density function of the considered system based on the generalized Parseval's formula and the Wiener-Khinchin theorem. Then we show that it enjoys interesting and diverse bifurcation phenomena exchanging between or among explosive-like, unimodal, and bimodal kurtosis. Therefore, our procedures in this paper are not merely comparable in scope to the existing theory of Markovian systems but also provide a possible approach to discern P-bifurcation dynamics in the non-Markovian settings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Applications of a damage tolerance analysis methodology in aircraft design and production

Objectives of customer mandated aircraft structural integrity initiatives in design are to guide material selection, to incorporate fracture resistant concepts in the design, to utilize damage tolerance based allowables and planned inspection procedures necessary to enhance the safety and reliability of manned flight vehicles. However, validated fracture analysis tools for composite structures are needed to accomplish these objectives in a timely and economical manner. This paper briefly describes the development, validation, and application of a damage tolerance methodology for composite airframe structures. A closed-form analysis code, entitled SUBLAM was developed to predict the critical biaxial strain state necessary to cause sublaminate buckling-induced delamination extension in an impact damaged composite laminate. An embedded elliptical delamination separating a thin sublaminate from a thick parent laminate is modelled. Predicted failure strains were correlated against a variety of experimental data that included results from compression after impact coupon and element tests. An integrated analysis package was developed to predict damage tolerance based margin-of-safety (MS) using NASTRAN generated loads and element information. Damage tolerance aspects of new concepts are quickly and cost-effectively determined without the need for excessive testing.

Woodward, M. R.↗

Improving the effectiveness of impact assessment pertaining to Indigenous peoples in the Brazilian environmental licensing procedure

The number of environmental licence applications for projects affecting Indigenous peoples in Brazil has increased since the implementation of a major infrastructure program (Programa de Aceleração do Crescimento) in 2007. This increase has caused problems for Brazilian agencies involved in environmental licensing procedures (IBAMA, FUNAI and others). We analyze the Brazilian environmental licensing procedure for situations involving Indigenous peoples, Maroons (Quilombolas) or other traditional communities in order to identify potential improvements for Brazil and potentially other countries. Although Brazilian procedures are consistent with international best practice in environmental licensing, in practice social impacts are inadequately addressed, mitigation measures are poorly implemented, and there is a lack of enforcement and compliance. The paper is based on document analysis and interviews with key actors in governmental and non-governmental organizations and Indigenous leaders. We suggest that Free, Prior and Informed Consent (FPIC) processes need to be conducted at the earliest stages of project planning, and that Indigenous peoples should actively participate in impact assessment, monitoring and evaluation processes. In order to achieve a social licence to operate, there needs to be full recognition of traditional knowledge and acceptance of Indigenous values and concepts. We also recommend increased involvement of social experts and mediators as well as improved accountability, enforcement and grievance mechanisms in the licensing process. - Highlights: • The Brazilian environmental licensing system needs to address social impacts better. • Communities need to be consulted at the earliest stage possible. • Indigenous peoples need to be invited to participate in impact assessment teams. • Independent Indigenous committees to monitor implementation of mitigation measures. • Accountability, enforcement and grievance mechanisms need to be improved.

54 ENVIRONMENTAL SCIENCES↗

Upgrade of hardware controls for the STAR experiment at RHIC

The STAR experiment has been delivering significant physics results for more than 20 years. Stable operation of the experiment was achieved by using a robust controls system based on the Experimental Physics and Industrial Control System (EPICS). Now an object-oriented approach with Python libraries, adapted for EPICS software, is going to replace the procedural-based EPICS C libraries previously used at STAR. Advantages of the new approach include stability of operation, code reduction and straightforward project documentation. The first two sections of this paper introduce the STAR experiment, give an overview of the EPICS architecture, and present the use of Python for controls software. Therefore, specific examples, as well as upgrades of user interfaces, are outlined in the following sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nanoaperture fabrication in ultra-smooth single-grain gold films with helium ion beam lithography

In this paper, we demonstrate a simple three-step gold thin-film sample preparation process to enhance the morphology and lithographic precision using helium ion based direct-writing. The procedure includes metal deposition, heat treatment and template stripping, which produce smooth monocrystalline gold grains with sizes up to 500 nm and an average surface roughness of 0.267 nm. By using a helium ion microscope, we can fabricate structures with feature sizes less than 20 nm in a 100 nm thick gold film with high-quality sidewalls. We demonstrate the efficacy of this technique by producing high-quality double nanohole (DNH) nanoapertures for single nanoparticle trapping in a single grain of 100 nm thick gold. This procedure can be applied to a wide range of antenna geometries and features that need to be fabricated producing optical and or electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Stochastic model for fatigue crack size and cost effective design decisions

This paper describes a methodology for making cost effective fatigue design decisions. The methodology is based on a probabilistic model for the stochastic process of fatigue crack growth with time. The development of a particular model for the stochastic process is also discussed in the paper. The model is based on the assumption of continuous time and discrete space of crack lengths. Statistical decision theory and the developed probabilistic model are used to develop the procedure for making fatigue design decisions on the basis of minimum expected cost or risk function and reliability bounds. Selections of initial flaw size distribution, NDT, repair threshold crack lengths, and inspection intervals are discussed.

Hanagud, S.↗

Computer-oriented synthesis of wide-band non-uniform negative resistance amplifiers

This paper presents a synthesis procedure which provides design values for broad-band amplifiers using non-uniform negative resistance devices. Employing a weighted least squares optimization scheme, the technique, based on an extension of procedures for uniform negative resistance devices, is capable of providing designs for a variety of matching network topologies. It also provides, for the first time, quantitative results for predicting the effects of parameter element variations on overall amplifier performance. The technique is also unique in that it employs exact partial derivatives for optimization and sensitivity computation. In comparison with conventional procedures, significantly improved broad-band designs are shown to result.

Branner, G. R.↗

An adaptive, multi-level method for elliptic boundary value problems

Subroutine PLTMG is a FORTRAN program for solving self-adjoint elliptic boundary value problems in general regions of R-squared. It is based on a piecewise linear triangle finite element method, an adaptive grid refinement procedure, and a multi-level iterative method to solve the resulting sets of linear equations. This paper describes the method and presents some numerical results and comparisons.

Bank, R. E.↗

An architecture and protocol for communications satellite constellations regarded as multi-agent systems

This paper presents an architecture for satellites regarded as intercommunicating agents. The architecture is based upon a postmodern paradigm of artificial intelligence in which represented knowledge is regarded as text, inference procedures are regarded as social discourse and decision making conventions and the semantics of representations are grounded in the situated behaviour and activity of agents. A particular protocol is described for agent participation in distributed search and retrieval operations conducted as joint activities.

Lindley, Craig A.↗

A Framework for Dynamic Constraint Reasoning Using Procedural Constraints

Many complex real-world decision and control problems contain an underlying constraint reasoning problem. This is particularly evident in a recently developed approach to planning, where almost all planning decisions are represented by constrained variables. This translates a significant part of the planning problem into a constraint network whose consistency determines the validity of the plan candidate. Since higher-level choices about control actions can add or remove variables and constraints, the underlying constraint network is invariably highly dynamic. Arbitrary domain-dependent constraints may be added to the constraint network and the constraint reasoning mechanism must be able to handle such constraints effectively. Additionally, real problems often require handling constraints over continuous variables. These requirements present a number of significant challenges for a constraint reasoning mechanism. In this paper, we introduce a general framework for handling dynamic constraint networks with real-valued variables, by using procedures to represent and effectively reason about general constraints. The framework is based on a sound theoretical foundation, and can be proven to be sound and complete under well-defined conditions. Furthermore, the framework provides hybrid reasoning capabilities, as alternative solution methods like mathematical programming can be incorporated into the framework, in the form of procedures.

Jonsson, Ari K.↗

Rotor-body coupling revisited

Two analytical procedures are discussed that are currently used to couple rotor and body equations. The first approach, a 'rotor-body iteration' procedure, is often used in flight dynamics simulations. In this approach, acceleration response at the hub interface between the rotor and body are calculated from the body set of equations. These hub acceleration responses are substituted into the rotor set of equations and the remaining rotor acceleration responses are calculated. These rotor responses are used to calculate the rotor hub loads which are transferred back to the body equations to initiate the next iteration. The second method is a 'fully coupled' equations approach that is used in finite element-based analyses. The body and rotor sets of equations are coupled using a kinematic constraint relation at the hub interface. This paper compares the advantages of the two approaches and shows where convergence problems occur in the rotor-body iteration procedure.

Stephens, Wendell B.↗

Assessment of the Unstructured Grid Software TetrUSS for Drag Prediction of the DLR-F4 Configuration

An application of the NASA unstructured grid software system TetrUSS is presented for the prediction of aerodynamic drag on a transport configuration. The paper briefly describes the underlying methodology and summarizes the results obtained on the DLR-F4 transport configuration recently presented in the first AIAA computational fluid dynamics (CFD) Drag Prediction Workshop. TetrUSS is a suite of loosely coupled unstructured grid CFD codes developed at the NASA Langley Research Center. The meshing approach is based on the advancing-front and the advancing-layers procedures. The flow solver employs a cell-centered, finite volume scheme for solving the Reynolds Averaged Navier-Stokes equations on tetrahedral grids. For the present computations, flow in the viscous sublayer has been modeled with an analytical wall function. The emphasis of the paper is placed on the practicality of the methodology for accurately predicting aerodynamic drag data.

Pirzadeh, Shahyar Z.↗

Real-time x-ray fluoroscopy-based catheter detection and tracking for cardiac electrophysiology interventions

Purpose: X-ray fluoroscopically guided cardiac electrophysiology (EP) procedures are commonly carried out to treat patients with arrhythmias. X-ray images have poor soft tissue contrast and, for this reason, overlay of a three-dimensional (3D) roadmap derived from preprocedural volumetric images can be used to add anatomical information. It is useful to know the position of the catheter electrodes relative to the cardiac anatomy, for example, to record ablation therapy locations during atrial fibrillation therapy. Also, the electrode positions of the coronary sinus (CS) catheter or lasso catheter can be used for road map motion correction.Methods: In this paper, the authors present a novel unified computational framework for image-based catheter detection and tracking without any user interaction. The proposed framework includes fast blob detection, shape-constrained searching and model-based detection. In addition, catheter tracking methods were designed based on the customized catheter models input from the detection method. Three real-time detection and tracking methods are derived from the computational framework to detect or track the three most common types of catheters in EP procedures: the ablation catheter, the CS catheter, and the lasso catheter. Since the proposed methods use the same blob detection method to extract key information from x-ray images, the ablation, CS, and lasso catheters can be detected and tracked simultaneously in real-time.Results: The catheter detection methods were tested on 105 different clinical fluoroscopy sequences taken from 31 clinical procedures. Two-dimensional (2D) detection errors of 0.50 {+-} 0.29, 0.92 {+-} 0.61, and 0.63 {+-} 0.45 mm as well as success rates of 99.4%, 97.2%, and 88.9% were achieved for the CS catheter, ablation catheter, and lasso catheter, respectively. With the tracking method, accuracies were increased to 0.45 {+-} 0.28, 0.64 {+-} 0.37, and 0.53 {+-} 0.38 mm and success rates increased to 100%, 99.2%, and 96.5% for the CS, ablation, and lasso catheters, respectively. Subjective clinical evaluation by three experienced electrophysiologists showed that the detection and tracking results were clinically acceptable.Conclusions: The proposed detection and tracking methods are automatic and can detect and track CS, ablation, and lasso catheters simultaneously and in real-time. The accuracy of the proposed methods is sub-mm and the methods are robust toward low-dose x-ray fluoroscopic images, which are mainly used during EP procedures to maintain low radiation dose.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Discrete Hahn polynomials for numerical solution of two-dimensional variable-order fractional Rayleigh–Stokes problem

The main aim of this paper is to find the numerical solutions of 2D Rayleigh–Stokes problem with the variable-order fractional derivatives in the Riemann–Liouville sense. The presented method is based on collocation procedure in combination with the new operational matrix of the variable-order fractional derivatives, in the Caputo sense, for the discrete Hahn polynomials. The main advantage of the proposed method is obtaining a global approximation for spatial and temporal discretizations, and it reduced the problem to an algebraic system, which is easier to solve. Also, the profit of approximating a continuous function by Hahn polynomials is that for computing the coefficients of the expansion, we only have to compute a summation and the calculation of coefficients is exact. The error bound for the approximate solution is estimated. Finally, we evaluate results of the presented method with other numerical methods.

97 MATHEMATICS AND COMPUTING↗

A wavelet-based computational method for solving stochastic Itô–Volterra integral equations

This paper presents a computational method based on the Chebyshev wavelets for solving stochastic Itô–Volterra integral equations. First, a stochastic operational matrix for the Chebyshev wavelets is presented and a general procedure for forming this matrix is given. Then, the Chebyshev wavelets basis along with this stochastic operational matrix are applied for solving stochastic Itô–Volterra integral equations. Convergence and error analysis of the Chebyshev wavelets basis are investigated. To reveal the accuracy and efficiency of the proposed method some numerical examples are included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Automated work packages architecture: An initial set of human factors and instrumentation and controls requirements

The work management process in current fleets of national nuclear power plants is so highly dependent on large technical staffs and quality of work instruction, i.e., paper-based, that this puts nuclear energy at somewhat of a long-term economic disadvantage and increase the possibility of human errors. Technologies like mobile portable devices and computer-based procedures can play a key role in improving the plant work management process, thereby increasing productivity and decreasing cost. Automated work packages are a fundamentally an enabling technology for improving worker productivity and human performance in nuclear power plants work activities because virtually every plant work activity is accomplished using some form of a work package. As part of this year’s research effort, automated work packages architecture is identified and an initial set of requirements identified, that are essential and necessary for implementation of automated work packages in nuclear power plants.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗