Design, synthesis and molecular simulation studies of dihydrostilbene derivatives as potent tyrosinase inhibitors.

PubMed

Vontzalidou, Argyro; Zoidis, Grigoris; Chaita, Eliza; Makropoulou, Maria; Aligiannis, Nektarios; Lambrinidis, George; Mikros, Emmanuel; Skaltsounis, Alexios-Leandros

2012-09-01

The synthesis, molecular modeling and biological evaluation of substituted deoxybenzoins and optimized dihydrostilbenes are reported. Preliminary structure-activity relationship data were elucidated and lead compounds suitable for further optimization were discovered. Dihydrostilbene 7 is a particularly potent inhibitor (IC(50)=8.44 μM, more potent than kojic acid). Copyright © 2012 Elsevier Ltd. All rights reserved.

Synthesis of Multispectral Bands from Hyperspectral Data: Validation Based on Images Acquired by AVIRIS, Hyperion, ALI, and ETM+

NASA Technical Reports Server (NTRS)

Blonksi, Slawomir; Gasser, Gerald; Russell, Jeffrey; Ryan, Robert; Terrie, Greg; Zanoni, Vicki

2001-01-01

Multispectral data requirements for Earth science applications are not always studied rigorously studied before a new remote sensing system is designed. A study of the spatial resolution, spectral bandpasses, and radiometric sensitivity requirements of real-world applications would focus the design onto providing maximum benefits to the end-user community. To support systematic studies of multispectral data requirements, the Applications Research Toolbox (ART) has been developed at NASA's Stennis Space Center. The ART software allows users to create and assess simulated datasets while varying a wide range of system parameters. The simulations are based on data acquired by existing multispectral and hyperspectral instruments. The produced datasets can be further evaluated for specific end-user applications. Spectral synthesis of multispectral images from hyperspectral data is a key part of the ART software. In this process, hyperspectral image cubes are transformed into multispectral imagery without changes in spatial sampling and resolution. The transformation algorithm takes into account spectral responses of both the synthesized, broad, multispectral bands and the utilized, narrow, hyperspectral bands. To validate the spectral synthesis algorithm, simulated multispectral images are compared with images collected near-coincidentally by the Landsat 7 ETM+ and the EO-1 ALI instruments. Hyperspectral images acquired with the airborne AVIRIS instrument and with the Hyperion instrument onboard the EO-1 satellite were used as input data to the presented simulations.

Development of a Test Facility for Air Revitalization Technology Evaluation

NASA Technical Reports Server (NTRS)

Lu, Sao-Dung; Lin, Amy; Campbell, Melissa; Smith, Frederick

2006-01-01

An active fault tolerant control (FTC) law is generally sensitive to false identification since the control gain is reconfigured for fault occurrence. In the conventional FTC law design procedure, dynamic variations due to false identification are not considered. In this paper, an FTC synthesis method is developed in order to consider possible variations of closed-loop dynamics under false identification into the control design procedure. An active FTC synthesis problem is formulated into an LMI optimization problem to minimize the upper bound of the induced-L2 norm which can represent the worst-case performance degradation due to false identification. The developed synthesis method is applied for control of the longitudinal motions of FASER (Free-flying Airplane for Subscale Experimental Research). The designed FTC law of the airplane is simulated for pitch angle command tracking under a false identification case.

Gain-Scheduled Fault Tolerance Control Under False Identification

NASA Technical Reports Server (NTRS)

Shin, Jong-Yeob; Belcastro, Christine (Technical Monitor)

2006-01-01

An active fault tolerant control (FTC) law is generally sensitive to false identification since the control gain is reconfigured for fault occurrence. In the conventional FTC law design procedure, dynamic variations due to false identification are not considered. In this paper, an FTC synthesis method is developed in order to consider possible variations of closed-loop dynamics under false identification into the control design procedure. An active FTC synthesis problem is formulated into an LMI optimization problem to minimize the upper bound of the induced-L2 norm which can represent the worst-case performance degradation due to false identification. The developed synthesis method is applied for control of the longitudinal motions of FASER (Free-flying Airplane for Subscale Experimental Research). The designed FTC law of the airplane is simulated for pitch angle command tracking under a false identification case.

The application of quadratic optimal cooperative control synthesis to a CH-47 helicopter

NASA Technical Reports Server (NTRS)

Townsend, Barbara K.

1987-01-01

A control-system design method, quadratic optimal cooperative control synthesis (CCS), is applied to the design of a stability and control augmentation system (SCAS). The CCS design method is different from other design methods in that it does not require detailed a priori design criteria, but instead relies on an explicit optimal pilot-model to create desired performance. The design method, which was developed previously for fixed-wing aircraft, is simplified and modified for application to a Boeing CH-47 helicopter. Two SCAS designs are developed using the CCS design methodology. The resulting CCS designs are then compared with designs obtained using classical/frequency-domain methods and linear quadratic regulator (LQR) theory in a piloted fixed-base simulation. Results indicate that the CCS method, with slight modifications, can be used to produce controller designs which compare favorably with the frequency-domain approach.

The application of quadratic optimal cooperative control synthesis to a CH-47 helicopter

NASA Technical Reports Server (NTRS)

Townsend, Barbara K.

1986-01-01

A control-system design method, Quadratic Optimal Cooperative Control Synthesis (CCS), is applied to the design of a Stability and Control Augmentation Systems (SCAS). The CCS design method is different from other design methods in that it does not require detailed a priori design criteria, but instead relies on an explicit optimal pilot-model to create desired performance. The design model, which was developed previously for fixed-wing aircraft, is simplified and modified for application to a Boeing Vertol CH-47 helicopter. Two SCAS designs are developed using the CCS design methodology. The resulting CCS designs are then compared with designs obtained using classical/frequency-domain methods and Linear Quadratic Regulator (LQR) theory in a piloted fixed-base simulation. Results indicate that the CCS method, with slight modifications, can be used to produce controller designs which compare favorably with the frequency-domain approach.

Linear Parameter Varying Control Synthesis for Actuator Failure, Based on Estimated Parameter

NASA Technical Reports Server (NTRS)

Shin, Jong-Yeob; Wu, N. Eva; Belcastro, Christine

2002-01-01

The design of a linear parameter varying (LPV) controller for an aircraft at actuator failure cases is presented. The controller synthesis for actuator failure cases is formulated into linear matrix inequality (LMI) optimizations based on an estimated failure parameter with pre-defined estimation error bounds. The inherent conservatism of an LPV control synthesis methodology is reduced using a scaling factor on the uncertainty block which represents estimated parameter uncertainties. The fault parameter is estimated using the two-stage Kalman filter. The simulation results of the designed LPV controller for a HiMXT (Highly Maneuverable Aircraft Technology) vehicle with the on-line estimator show that the desired performance and robustness objectives are achieved for actuator failure cases.

Design and Implementation of Viterbi Decoder Using VHDL

NASA Astrophysics Data System (ADS)

Thakur, Akash; Chattopadhyay, Manju K.

2018-03-01

A digital design conversion of Viterbi decoder for ½ rate convolutional encoder with constraint length k = 3 is presented in this paper. The design is coded with the help of VHDL, simulated and synthesized using XILINX ISE 14.7. Synthesis results show a maximum frequency of operation for the design is 100.725 MHz. The requirement of memory is less as compared to conventional method.

Alternatives for jet engine control

NASA Technical Reports Server (NTRS)

Sain, M. K.; Yurkovich, S.; Hill, J. P.; Kingler, T. A.

1983-01-01

The development of models of tensor type for a digital simulation of the quiet, clean safe engine (QCSE) gas turbine engine; the extension, to nonlinear multivariate control system design, of the concepts of total synthesis which trace their roots back to certain early investigations under this grant; the role of series descriptions as they relate to questions of scheduling in the control of gas turbine engines; the development of computer-aided design software for tensor modeling calculations; further enhancement of the softwares for linear total synthesis, mentioned above; and calculation of the first known examples using tensors for nonlinear feedback control are discussed.

Feedback control laws for highly maneuverable aircraft

NASA Technical Reports Server (NTRS)

Garrard, William L.; Balas, Gary J.

1992-01-01

The results of a study of the application of H infinity and mu synthesis techniques to the design of feedback control laws for the longitudinal dynamics of the High Angle of Attack Research Vehicle (HARV) are presented. The objective of this study is to develop methods for the design of feedback control laws which cause the closed loop longitudinal dynamics of the HARV to meet handling quality specifications over the entire flight envelope. Control law designs are based on models of the HARV linearized at various flight conditions. The control laws are evaluated by both linear and nonlinear simulations of typical maneuvers. The fixed gain control laws resulting from both the H infinity and mu synthesis techniques result in excellent performance even when the aircraft performs maneuvers in which the system states vary significantly from their equilibrium design values. Both the H infinity and mu synthesis control laws result in performance which compares favorably with an existing baseline longitudinal control law.

New frontiers in design synthesis

NASA Technical Reports Server (NTRS)

Goldin, D. S.; Venneri, S. L.; Noor, A. K.

1999-01-01

The Intelligent Synthesis Environment (ISE), which is one of the major strategic technologies under development at NASA centers and the University of Virginia, is described. One of the major objectives of ISE is to significantly enhance the rapid creation of innovative affordable products and missions. ISE uses a synergistic combination of leading-edge technologies, including high performance computing, high capacity communications and networking, human-centered computing, knowledge-based engineering, computational intelligence, virtual product development, and product information management. The environment will link scientists, design teams, manufacturers, suppliers, and consultants who participate in the mission synthesis as well as in the creation and operation of the aerospace system. It will radically advance the process by which complex science missions are synthesized, and high-tech engineering Systems are designed, manufactured and operated. The five major components critical to ISE are human-centered computing, infrastructure for distributed collaboration, rapid synthesis and simulation tools, life cycle integration and validation, and cultural change in both the engineering and science creative process. The five components and their subelements are described. Related U.S. government programs are outlined and the future impact of ISE on engineering research and education is discussed.

Potent New Small-Molecule Inhibitor of Botulinum Neurotoxin Serotype A Endopeptidase Developed by Synthesis-Based Computer-Aided Molecular Design

DTIC Science & Technology

2009-11-01

dynamics of the complex predicted by multiple molecular dynamics simulations , and discuss further structural optimization to achieve better in vivo efficacy...complex with BoNTAe and the dynamics of the complex predicted by multiple molecular dynamics simulations (MMDSs). On the basis of the 3D model, we discuss...is unlimited whereas AHP exhibited 54% inhibition under the same conditions (Table 1). Computer Simulation Twenty different molecular dynamics

Computer program for design and performance analysis of navigation-aid power systems. Program documentation. Volume 1: Software requirements document

NASA Technical Reports Server (NTRS)

Goltz, G.; Kaiser, L. M.; Weiner, H.

1977-01-01

A computer program has been developed for designing and analyzing the performance of solar array/battery power systems for the U.S. Coast Guard Navigational Aids. This program is called the Design Synthesis/Performance Analysis (DSPA) Computer Program. The basic function of the Design Synthesis portion of the DSPA program is to evaluate functional and economic criteria to provide specifications for viable solar array/battery power systems. The basic function of the Performance Analysis portion of the DSPA program is to simulate the operation of solar array/battery power systems under specific loads and environmental conditions. This document establishes the software requirements for the DSPA computer program, discusses the processing that occurs within the program, and defines the necessary interfaces for operation.

Workshop on data acquisition and trigger system simulations for high energy physics

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

NONE

1992-12-31

This report discusses the following topics: DAQSIM: A data acquisition system simulation tool; Front end and DCC Simulations for the SDC Straw Tube System; Simulation of Non-Blocklng Data Acquisition Architectures; Simulation Studies of the SDC Data Collection Chip; Correlation Studies of the Data Collection Circuit & The Design of a Queue for this Circuit; Fast Data Compression & Transmission from a Silicon Strip Wafer; Simulation of SCI Protocols in Modsim; Visual Design with vVHDL; Stochastic Simulation of Asynchronous Buffers; SDC Trigger Simulations; Trigger Rates, DAQ & Online Processing at the SSC; Planned Enhancements to MODSEM II & SIMOBJECT -- anmore » Overview -- R.; DAGAR -- A synthesis system; Proposed Silicon Compiler for Physics Applications; Timed -- LOTOS in a PROLOG Environment: an Algebraic language for Simulation; Modeling and Simulation of an Event Builder for High Energy Physics Data Acquisition Systems; A Verilog Simulation for the CDF DAQ; Simulation to Design with Verilog; The DZero Data Acquisition System: Model and Measurements; DZero Trigger Level 1.5 Modeling; Strategies Optimizing Data Load in the DZero Triggers; Simulation of the DZero Level 2 Data Acquisition System; A Fast Method for Calculating DZero Level 1 Jet Trigger Properties and Physics Input to DAQ Studies.« less

Evaluation of an F100 multivariable control using a real-time engine simulation

NASA Technical Reports Server (NTRS)

Szuch, J. R.; Skira, C.; Soeder, J. F.

1977-01-01

A multivariable control design for the F100 turbofan engine was evaluated, as part of the F100 multivariable control synthesis (MVCS) program. The evaluation utilized a real-time, hybrid computer simulation of the engine and a digital computer implementation of the control. Significant results of the evaluation are presented and recommendations concerning future engine testing of the control are made.

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

Goltz, G.; Weiner, H.

A computer program has been developed for designing and analyzing the performance of solar array/battery power systems for the U.S. Coast Guard Navigational Aids. This program is called the Design Synthesis/Performance Analysis (DSPA) Computer Program. The basic function of the Design Synthesis portion of the DSPA program is to evaluate functional and economic criteria to provide specifications for viable solar array/battery power systems. The basic function of the Performance Analysis portion of the DSPA program is to simulate the operation of solar array/battery power systems under specific loads and environmental conditions. This document provides a detailed description of the DSPAmore » Computer Program system and its subprograms. This manual will assist the programmer in revising or updating the several subprograms.« less

Using Modern Design Tools for Digital Avionics Development

NASA Technical Reports Server (NTRS)

Hyde, David W.; Lakin, David R., II; Asquith, Thomas E.

2000-01-01

Using Modem Design Tools for Digital Avionics Development Shrinking development time and increased complexity of new avionics forces the designer to use modem tools and methods during hardware development. Engineers at the Marshall Space Flight Center have successfully upgraded their design flow and used it to develop a Mongoose V based radiation tolerant processor board for the International Space Station's Water Recovery System. The design flow, based on hardware description languages, simulation, synthesis, hardware models, and full functional software model libraries, allowed designers to fully simulate the processor board from reset, through initialization before any boards were built. The fidelity of a digital simulation is limited to the accuracy of the models used and how realistically the designer drives the circuit's inputs during simulation. By using the actual silicon during simulation, device modeling errors are reduced. Numerous design flaws were discovered early in the design phase when they could be easily fixed. The use of hardware models and actual MIPS software loaded into full functional memory models also provided checkout of the software development environment. This paper will describe the design flow used to develop the processor board and give examples of errors that were found using the tools. An overview of the processor board firmware will also be covered.

Data-Adaptable Modeling and Optimization for Runtime Adaptable Systems

DTIC Science & Technology

2016-06-08

execution scenarios e . Enables model -guided optimization algorithms that outperform state-of-the-art f. Understands the overhead of system...the Data-Adaptable System Model (DASM), that facilitates design by enabling the designer to: 1) specify both an application’s task flow as well as...systems. The MILAN [3] framework specializes in the design, simulation , and synthesis of System On Chip (SoC) applications using model -based techniques

Modeling and Synthesis Methods for Retrofit Design of Submarine Actuation Systems. Energy Storage for Electric Actuators

DTIC Science & Technology

2011-12-15

for Retrofit Design of Submarine Actuation Systems 5b. GRANT NUMBER Energy Storage for Electric Actuators NOOO 14-08-1-0424 5c. PROGRAM ELEMENT...are used to derive power and energy storage requirements for control surface actuation during extreme submarine maneuvers, such as emergency...and for initially sizing system components. 15. SUBJECT TERMS Submarines, electromagnetic actuators, energy storage, simulation-based design

Robust tracking control of a magnetically suspended rigid body

NASA Technical Reports Server (NTRS)

Lim, Kyong B.; Cox, David E.

1994-01-01

This study is an application of H-infinity and micro-synthesis for designing robust tracking controllers for the Large Angle Magnetic Suspension Test Facility. The modeling, design, analysis, simulation, and testing of a control law that guarantees tracking performance under external disturbances and model uncertainties is investigated. The type of uncertainties considered and the tracking performance metric used is discussed. This study demonstrates the tradeoff between tracking performance at low frequencies and robustness at high frequencies. Two sets of controllers were designed and tested. The first set emphasized performance over robustness, while the second set traded off performance for robustness. Comparisons of simulation and test results are also included. Current simulation and experimental results indicate that reasonably good robust tracking performance can be attained for this system using multivariable robust control approach.

FPGA Based Reconfigurable ATM Switch Test Bed

NASA Technical Reports Server (NTRS)

Chu, Pong P.; Jones, Robert E.

1998-01-01

Various issues associated with "FPGA Based Reconfigurable ATM Switch Test Bed" are presented in viewgraph form. Specific topics include: 1) Network performance evaluation; 2) traditional approaches; 3) software simulation; 4) hardware emulation; 5) test bed highlights; 6) design environment; 7) test bed architecture; 8) abstract sheared-memory switch; 9) detailed switch diagram; 10) traffic generator; 11) data collection circuit and user interface; 12) initial results; and 13) the following conclusions: Advances in FPGA make hardware emulation feasible for performance evaluation, hardware emulation can provide several orders of magnitude speed-up over software simulation; due to the complexity of hardware synthesis process, development in emulation is much more difficult than simulation and requires knowledge in both networks and digital design.

Synthesis of concentric circular antenna arrays using dragonfly algorithm

NASA Astrophysics Data System (ADS)

Babayigit, B.

2018-05-01

Due to the strong non-linear relationship between the array factor and the array elements, concentric circular antenna array (CCAA) synthesis problem is challenging. Nature-inspired optimisation techniques have been playing an important role in solving array synthesis problems. Dragonfly algorithm (DA) is a novel nature-inspired optimisation technique which is based on the static and dynamic swarming behaviours of dragonflies in nature. This paper presents the design of CCAAs to get low sidelobes using DA. The effectiveness of the proposed DA is investigated in two different (with and without centre element) cases of two three-ring (having 4-, 6-, 8-element or 8-, 10-, 12-element) CCAA design. The radiation pattern of each design cases is obtained by finding optimal excitation weights of the array elements using DA. Simulation results show that the proposed algorithm outperforms the other state-of-the-art techniques (symbiotic organisms search, biogeography-based optimisation, sequential quadratic programming, opposition-based gravitational search algorithm, cat swarm optimisation, firefly algorithm, evolutionary programming) for all design cases. DA can be a promising technique for electromagnetic problems.

Design, Synthesis and Affinity Properties of Biologically Active Peptide and Protein Conjugates of Cotton Cellulose

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

Edwards, J. V.; Goheen, Steven C.

The formation of peptide and protein conjugates of cellulose on cotton fabrics provides promising leads for the development of wound healing, antibacterial, and decontaminating textiles. An approach to the design, synthesis, and analysis of bioconjugates containing cellulose peptide and protein conjugates includes: 1) computer graphic modeling for a rationally designed structure; 2) attachment of the peptide or protein to cotton cellulose through a linker amino acid, and 3) characterization of the resulting bioconjugate. Computer graphic simulation of protein and peptide cellulose conjugates gives a rationally designed biopolymer to target synthetic modifications to the cotton cellulose. Techniques for preparing these typesmore » of conjugates involve both sequential assembly of the peptide on the fabric and direct crosslinking of the peptide or protein as cellulose bound esters or carboxymethylcellulose amides.« less

A prototype computerized synthesis methodology for generic space access vehicle (SAV) conceptual design

NASA Astrophysics Data System (ADS)

Huang, Xiao

2006-04-01

Today's and especially tomorrow's competitive launch vehicle design environment requires the development of a dedicated generic Space Access Vehicle (SAV) design methodology. A total of 115 industrial, research, and academic aircraft, helicopter, missile, and launch vehicle design synthesis methodologies have been evaluated. As the survey indicates, each synthesis methodology tends to focus on a specific flight vehicle configuration, thus precluding the key capability to systematically compare flight vehicle design alternatives. The aim of the research investigation is to provide decision-making bodies and the practicing engineer a design process and tool box for robust modeling and simulation of flight vehicles where the ultimate performance characteristics may hinge on numerical subtleties. This will enable the designer of a SAV for the first time to consistently compare different classes of SAV configurations on an impartial basis. This dissertation presents the development steps required towards a generic (configuration independent) hands-on flight vehicle conceptual design synthesis methodology. This process is developed such that it can be applied to any flight vehicle class if desired. In the present context, the methodology has been put into operation for the conceptual design of a tourist Space Access Vehicle. The case study illustrates elements of the design methodology & algorithm for the class of Horizontal Takeoff and Horizontal Landing (HTHL) SAVs. The HTHL SAV design application clearly outlines how the conceptual design process can be centrally organized, executed and documented with focus on design transparency, physical understanding and the capability to reproduce results. This approach offers the project lead and creative design team a management process and tool which iteratively refines the individual design logic chosen, leading to mature design methods and algorithms. As illustrated, the HTHL SAV hands-on design methodology offers growth potential in that the same methodology can be continually updated and extended to other SAV configuration concepts, such as the Vertical Takeoff and Vertical Landing (VTVL) SAV class. Having developed, validated and calibrated the methodology for HTHL designs in the 'hands-on' mode, the report provides an outlook how the methodology will be integrated into a prototype computerized design synthesis software AVDS-PrADOSAV in a follow-on step.

Design and synthesis of a series of serine derivatives as small molecule inhibitors of the SARS coronavirus 3CL protease.

PubMed

Konno, Hiroyuki; Wakabayashi, Masaki; Takanuma, Daiki; Saito, Yota; Akaji, Kenichi

2016-03-15

Synthesis of serine derivatives having the essential functional groups for the inhibitor of SARS 3CL protease and evaluation of their inhibitory activities using SARS 3CL R188I mutant protease are described. The lead compounds, functionalized serine derivatives, were designed based on the tetrapeptide aldehyde and Bai's cinnamoly inhibitor, and additionally performed with simulation on GOLD softwear. Structure activity relationship studies of the candidate compounds were given reasonable inhibitors ent-3 and ent-7k against SARS 3CL R188I mutant protease. These inhibitors showed protease selectivity and no cytotoxicity. Copyright © 2016 Elsevier Ltd. All rights reserved.

Reviews.

ERIC Educational Resources Information Center

Newland, Robert J.; And Others

1988-01-01

Reviews four organic chemistry computer programs and three books. Software includes: (1) NMR Simulator 7--for IBM or Macintosh, (2) Nucleic Acid Structure and Synthesis--for IBM, (3) Molecular Design Editor--for Apple II, and (4) Synthetic Adventure--for Apple II and IBM. Book topics include physical chemistry, polymer pioneers, and the basics of…

Enhanced Attitude Control Experiment for SSTI Lewis Spacecraft

NASA Technical Reports Server (NTRS)

Maghami, Peoman G.

1997-01-01

The enhanced attitude control system experiment is a technology demonstration experiment on the NASA's small spacecraft technology initiative program's Lewis spacecraft to evaluate advanced attitude control strategies. The purpose of the enhanced attitude control system experiment is to evaluate the feasibility of designing and implementing robust multi-input/multi-output attitude control strategies for enhanced pointing performance of spacecraft to improve the quality of the measurements of the science instruments. Different control design strategies based on modern and robust control theories are being considered for the enhanced attitude control system experiment. This paper describes the experiment as well as the design and synthesis of a mixed H(sub 2)/H(sub infinity) controller for attitude control. The control synthesis uses a nonlinear programming technique to tune the controller parameters and impose robustness and performance constraints. Simulations are carried out to demonstrate the feasibility of the proposed attitude control design strategy. Introduction

Advanced Design Methodology for Robust Aircraft Sizing and Synthesis

NASA Technical Reports Server (NTRS)

Mavris, Dimitri N.

1997-01-01

Contract efforts are focused on refining the Robust Design Methodology for Conceptual Aircraft Design. Robust Design Simulation (RDS) was developed earlier as a potential solution to the need to do rapid trade-offs while accounting for risk, conflict, and uncertainty. The core of the simulation revolved around Response Surface Equations as approximations of bounded design spaces. An ongoing investigation is concerned with the advantages of using Neural Networks in conceptual design. Thought was also given to the development of systematic way to choose or create a baseline configuration based on specific mission requirements. Expert system was developed, which selects aerodynamics, performance and weights model from several configurations based on the user's mission requirements for subsonic civil transport. The research has also resulted in a step-by-step illustration on how to use the AMV method for distribution generation and the search for robust design solutions to multivariate constrained problems.

Sequential biases in accumulating evidence

PubMed Central

Huggins, Richard; Dogo, Samson Henry

2015-01-01

Whilst it is common in clinical trials to use the results of tests at one phase to decide whether to continue to the next phase and to subsequently design the next phase, we show that this can lead to biased results in evidence synthesis. Two new kinds of bias associated with accumulating evidence, termed ‘sequential decision bias’ and ‘sequential design bias’, are identified. Both kinds of bias are the result of making decisions on the usefulness of a new study, or its design, based on the previous studies. Sequential decision bias is determined by the correlation between the value of the current estimated effect and the probability of conducting an additional study. Sequential design bias arises from using the estimated value instead of the clinically relevant value of an effect in sample size calculations. We considered both the fixed‐effect and the random‐effects models of meta‐analysis and demonstrated analytically and by simulations that in both settings the problems due to sequential biases are apparent. According to our simulations, the sequential biases increase with increased heterogeneity. Minimisation of sequential biases arises as a new and important research area necessary for successful evidence‐based approaches to the development of science. © 2015 The Authors. Research Synthesis Methods Published by John Wiley & Sons Ltd. PMID:26626562

A search for new glucophores by isosteric replacement of carboxylic function.

PubMed

Polański, J; Jarzembek, K; Łysiak, V

2000-11-01

We used arylsulfonylalkanoic acids as parent structures for designing new potential sweeteners. The Kohonen maps of the molecular electrostatic potential of the possible bioisosteric replacements of carboxylic function have been simulated and used for the selection of the potential synthetic targets which are now under synthesis.

AERIS - applications for the environment : real-time information synthesis : low emissions zone (LEZ) operational scenario modeling report.

DOT National Transportation Integrated Search

2015-01-01

This report describes the analysis and modeling effort that was conducted to simulate the potential impacts of a Low Emissions Zone (LEZ) strategy. LEZs are designated areas within a metropolitan region where special measures are implemented with a v...

Hardware synthesis from DDL description. [simulating a digital system for computerized design of large scale integrated circuits

NASA Technical Reports Server (NTRS)

Shiva, S. G.; Shah, A. M.

1980-01-01

The details of digital systems can be conveniently input into the design automation system by means of hardware description language (HDL). The computer aided design and test (CADAT) system at NASA MSFC is used for the LSI design. The digital design language (DDL) was selected as HDL for the CADAT System. DDL translator output can be used for the hardware implementation of the digital design. Problems of selecting the standard cells from the CADAT standard cell library to realize the logic implied by the DDL description of the system are addressed.

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

Bachan, John

Chisel is a new open-source hardware construction language developed at UC Berkeley that supports advanced hardware design using highly parameterized generators and layered domain-specific hardware languages. Chisel is embedded in the Scala programming language, which raises the level of hardware design abstraction by providing concepts including object orientation, functional programming, parameterized types, and type inference. From the same source, Chisel can generate a high-speed C++-based cycle-accurate software simulator, or low-level Verilog designed to pass on to standard ASIC or FPGA tools for synthesis and place and route.

Design and analysis of microcontroller system using AMBA-Lite bus

NASA Astrophysics Data System (ADS)

Suan, Wang Hang; Bahari Jambek, Asral

2017-11-01

Advanced Microcontroller Bus Architecture (AMBA) is one of the well-designed on chip communication system. It is designed for right first-time development with many processor and peripherals. In this paper, the different family of AMBA architecture such as AXI, APB, AHB are reviewed. In this work, the AMBA-Lite is used and implemented with a few peripherals and an ARM processor. The work is simulated using Synopsys and demonstrated on the Digilent Nexys4 DDR board and the software use to synthesis the design is Vivado 2016.2.

Extensions to PIFCGT: Multirate output feedback and optimal disturbance suppression

NASA Technical Reports Server (NTRS)

Broussard, J. R.

1986-01-01

New control synthesis procedures for digital flight control systems were developed. The theoretical developments are the solution to the problem of optimal disturbance suppression in the presence of windshear. Control synthesis is accomplished using a linear quadratic cost function, the command generator tracker for trajectory following and the proportional-integral-filter control structure for practical implementation. Extensions are made to the optimal output feedback algorithm for computing feedback gains so that the multirate and optimal disturbance control designs are computed and compared for the advanced transport operating system (ATOPS). The performance of the designs is demonstrated by closed-loop poles, frequency domain multiinput sigma and eigenvalue plots and detailed nonlinear 6-DOF aircraft simulations in the terminal area in the presence of windshear.

Synthesis of a hybrid model of the VSC FACTS devices and HVDC technologies

NASA Astrophysics Data System (ADS)

Borovikov, Yu S.; Gusev, A. S.; Sulaymanov, A. O.; Ufa, R. A.

2014-10-01

The motivation of the presented research is based on the need for development of new methods and tools for adequate simulation of FACTS devices and HVDC systems as part of real electric power systems (EPS). The Research object: An alternative hybrid approach for synthesizing VSC-FACTS and -HVDC hybrid model is proposed. The results: the VSC- FACTS and -HVDC hybrid model is designed in accordance with the presented concepts of hybrid simulation. The developed model allows us to carry out adequate simulation in real time of all the processes in HVDC, FACTS devices and EPS as a whole without any decomposition and limitation on their duration, and also use the developed tool for effective solution of a design, operational and research tasks of EPS containing such devices.

Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica Oligomers

DOE PAGES

Perez-Sanchez, German; Chien, Szu -Chia; Gomes, Jose R. B.; ...

2016-04-04

A detailed theoretical understanding of the synthesis mechanism of periodic mesoporous silica has not yet been achieved. We present results of a multiscale simulation strategy that, for the first time, describes the molecular-level processes behind the formation of silica/surfactant mesophases in the synthesis of templated MCM-41 materials. The parameters of a new coarse-grained explicit-solvent model for the synthesis solution are calibrated with reference to a detailed atomistic model, which itself is based on quantum mechanical calculations. This approach allows us to reach the necessary time and length scales to explicitly simulate the spontaneous formation of mesophase structures while maintaining amore » level of realism that allows for direct comparison with experimental systems. Our model shows that silica oligomers are a necessary component in the formation of hexagonal liquid crystals from low-concentration surfactant solutions. Because they are multiply charged, silica oligomers are able to bridge adjacent micelles, thus allowing them to overcome their mutual repulsion and form aggregates. This leads the system to phase separate into a dilute solution and a silica/surfactant-rich mesophase, which leads to MCM-41 formation. Before extensive silica condensation takes place, the mesophase structure can be controlled by manipulation of the synthesis conditions. Our modeling results are in close agreement with experimental observations and strongly support a cooperative mechanism for synthesis of this class of materials. Furthermore, this work paves the way for tailored design of nanoporous materials using computational models.« less

Quantum Approaches to Logic Circuit Synthesis and Testing

DTIC Science & Technology

2006-06-01

with n qubits using Octave (Oct), MATLAB (MAT), Blitz++ (B++) and QuIDDPro (QP) with Oracle Design 1. 42 Table 4: Simulating Grover’s...algorithm with n qubits using Octave (Oct), MATLAB (MAT), Blitz++ (B++) and QuIDDPro (QP) with Oracle Design 2. 43 Table 5: Number of Grover iterations...to accurately characterize the effects of gate and systematic error in a quantum circuit that generates remotely entangled EPR pairs. An

Current status of the prebiotic synthesis of small molecules

NASA Technical Reports Server (NTRS)

Miller, Stanley L.

1986-01-01

Experiments designed to simulate conditions on the primitive earth and to demonstrate how the organic compounds that made up the first living organisms were synthesized are described. Simulated atmospheres with CH4, N2, NH3, and H2O were found to be most effective for synthesis of small prebiotic molecules, although atmospheres with H2, CO, N2, and H2O, and with H2, CO2, N2, and H2O also give good yields of organic compounds provided the H2/CO and H2/CO2 ratios are above 1 and 2, respectively. The spark discharge (which is a good source of HCN) and UV light are also important. Reasonable prebiotic syntheses were worked out for the amino acids that occur in proteins (with the exception of lysine, arginine, and histidine), and for purines, pyrimidines, sugars, and nicotinic acid. Many of the molecules that have been produced in these simulated primitive-earth experiments are found in carbonaceous chondrites.

Design of an ammonia closed-loop storage system in a CSP power plant with a power tower cavity receiver

NASA Astrophysics Data System (ADS)

Abdiwe, Ramadan; Haider, Markus

2017-06-01

In this study the thermochemical system using ammonia as energy storage carrier is investigated and a transient mathematical model using MATLAB software was developed to predict the behavior of the ammonia closed-loop storage system including but not limited to the ammonia solar reactor and the ammonia synthesis reactor. The MATLAB model contains transient mass and energy balances as well as chemical equilibrium model for each relevant system component. For the importance of the dissociation and formation processes in the system, a Computational Fluid Dynamics (CFD) simulation on the ammonia solar and synthesis reactors has been performed. The CFD commercial package FLUENT is used for the simulation study and all the important mechanisms for packed bed reactors are taken into account, such as momentum, heat and mass transfer, and chemical reactions. The FLUENT simulation reveals the profiles inside both reactors and compared them with the profiles from the MATLAB code.

Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal-organic frameworks to protein crystals.

PubMed

Jiang, Jianwen; Babarao, Ravichandar; Hu, Zhongqiao

2011-07-01

Nanoporous materials have widespread applications in chemical industry, but the pathway from laboratory synthesis and testing to practical utilization of nanoporous materials is substantially challenging and requires fundamental understanding from the bottom up. With ever-growing computational resources, molecular simulations have become an indispensable tool for material characterization, screening and design. This tutorial review summarizes the recent simulation studies in zeolites, metal-organic frameworks and protein crystals, and provides a molecular overview for energy, environmental and pharmaceutical applications of nanoporous materials with increasing degree of complexity in building blocks. It is demonstrated that molecular-level studies can bridge the gap between physical and engineering sciences, unravel microscopic insights that are otherwise experimentally inaccessible, and assist in the rational design of new materials. The review is concluded with major challenges in future simulation exploration of novel nanoporous materials for emerging applications.

An Interferometry Imaging Beauty Contest

NASA Technical Reports Server (NTRS)

Lawson, Peter R.; Cotton, William D.; Hummel, Christian A.; Monnier, John D.; Zhaod, Ming; Young, John S.; Thorsteinsson, Hrobjartur; Meimon, Serge C.; Mugnier, Laurent; LeBesnerais, Guy;

F100 multivariable control synthesis program: Evaluation of a multivariable control using a real-time engine simulation

NASA Technical Reports Server (NTRS)

Szuch, J. R.; Soeder, J. F.; Seldner, K.; Cwynar, D. S.

1977-01-01

The design, evaluation, and testing of a practical, multivariable, linear quadratic regulator control for the F100 turbofan engine were accomplished. NASA evaluation of the multivariable control logic and implementation are covered. The evaluation utilized a real time, hybrid computer simulation of the engine. Results of the evaluation are presented, and recommendations concerning future engine testing of the control are made. Results indicated that the engine testing of the control should be conducted as planned.

A microfluidic microreactor for the synthesis of gold nanorods.

PubMed

Day, Daniel; Gu, Min

2009-03-11

A microfluidic microreactor for the synthesis of gold nanorods is fabricated using femtosecond pulse laser microfabrication techniques. Femtosecond pulse lasers are able to etch a wide range of materials that are required for a microreactor, from the photomasks to the microheaters. The heating of the fluid in the microreactor is achieved through the design and fabrication of a microscale heating element incorporated onto the bottom surface of the microreactor which is capable of reaching temperatures greater than 130 degrees C. Computational fluid dynamic simulations of the heating profile of an optimized microreactor show increased heating performance with respect to a serpentine microreactor. The synthesis of gold nanorods is demonstrated in the optimized microreactor, based on a flow rate of 0.5 microg min(-1).

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

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

Witman, Matthew; Ling, Sanliang; Anderson, Samantha

2016-01-01

We present thein silico designof MOFs exhibiting 1-dimensional rod topologies by enumerating MOF-74-type analogs based on the PubChem Compounds database. We simulate the adsorption behavior of CO 2in the generated analogs and experimentally validate a novel MOF-74 analog, Mg 2(olsalazine).

Synthesis and Biological Testing of Penicillins: An Investigative Approach to the Undergraduate Teaching Laboratory

ERIC Educational Resources Information Center

Whitaker, Ragnhild D.; Truhlar, Laura M.; Yksel, Deniz; Walt, David R.; Williams, Mark D.

2010-01-01

The development and implementation of a research-based organic chemistry laboratory experiment is presented. The experiment was designed to simulate a scientific research environment, involve students in critical thinking, and develop the student's ability to analyze and present research-based data. In this experiment, a laboratory class…

Optical aperture synthesis: limitations and interest for the earth observation

NASA Astrophysics Data System (ADS)

Brouard, Laurent; Safa, Frederic; Crombez, Vincent; Laubier, David

2017-11-01

For very large telescope diameters, typically above 4 meters, monolithic telescopes can hardly be envisaged for space applications. Optical aperture synthesis can be envisaged in the future for improving the image resolution from high altitude orbits by co-phasing several individual telescopes of smaller size and reconstituting an aperture of large surface. The telescopes can be deployed on a single spacecraft or distributed on several spacecrafts in free flying formation. Several future projects are based on optical aperture synthesis for science or earth observation. This paper specifically discusses the limitations and interest of aperture synthesis technique for Earth observation from high altitude orbits, in particular geostationary orbit. Classical Fizeau and Michelson configurations are recalled, and system design aspects are investigated: synthesis of the Modulation Transfer Function (MTF), integration time and imaging procedure are first discussed then co-phasing strategies and instrument metrology are developed. The discussion is supported by specific designs made at EADS Astrium. As example, a telescope design is presented with a surface of only 6.6 m2 for the primary mirror for an external diameter of 10.6 m allowing a theoretical resolution of 1.2 m from geostationary orbit with a surface lower than 10% of the overall surface. The impact is that the integration time is increasing leading to stringent satellite attitude requirements. Image simulation results are presented. The practical implementation of the concept is evaluated in terms of system impacts in particular spacecraft attitude control, spacecraft operations and imaging capability limitations.

Re-Sonification of Objects, Events, and Environments

NASA Astrophysics Data System (ADS)

Fink, Alex M.

Digital sound synthesis allows the creation of a great variety of sounds. Focusing on interesting or ecologically valid sounds for music, simulation, aesthetics, or other purposes limits the otherwise vast digital audio palette. Tools for creating such sounds vary from arbitrary methods of altering recordings to precise simulations of vibrating objects. In this work, methods of sound synthesis by re-sonification are considered. Re-sonification, herein, refers to the general process of analyzing, possibly transforming, and resynthesizing or reusing recorded sounds in meaningful ways, to convey information. Applied to soundscapes, re-sonification is presented as a means of conveying activity within an environment. Applied to the sounds of objects, this work examines modeling the perception of objects as well as their physical properties and the ability to simulate interactive events with such objects. To create soundscapes to re-sonify geographic environments, a method of automated soundscape design is presented. Using recorded sounds that are classified based on acoustic, social, semantic, and geographic information, this method produces stochastically generated soundscapes to re-sonify selected geographic areas. Drawing on prior knowledge, local sounds and those deemed similar comprise a locale's soundscape. In the context of re-sonifying events, this work examines processes for modeling and estimating the excitations of sounding objects. These include plucking, striking, rubbing, and any interaction that imparts energy into a system, affecting the resultant sound. A method of estimating a linear system's input, constrained to a signal-subspace, is presented and applied toward improving the estimation of percussive excitations for re-sonification. To work toward robust recording-based modeling and re-sonification of objects, new implementations of banded waveguide (BWG) models are proposed for object modeling and sound synthesis. Previous implementations of BWGs use arbitrary model parameters and may produce a range of simulations that do not match digital waveguide or modal models of the same design. Subject to linear excitations, some models proposed here behave identically to other equivalently designed physical models. Under nonlinear interactions, such as bowing, many of the proposed implementations exhibit improvements in the attack characteristics of synthesized sounds.

Novel Real-Time Facial Wound Recovery Synthesis Using Subsurface Scattering

PubMed Central

Chin, Seongah

2014-01-01

We propose a wound recovery synthesis model that illustrates the appearance of a wound healing on a 3-dimensional (3D) face. The H3 model is used to determine the size of the recovering wound. Furthermore, we present our subsurface scattering model that is designed to take the multilayered skin structure of the wound into consideration to represent its color transformation. We also propose a novel real-time rendering method based on the results of an analysis of the characteristics of translucent materials. Finally, we validate the proposed methods with 3D wound-simulation experiments using shading models. PMID:25197721

Towards identifying nurse educator competencies required for simulation-based learning: A systemised rapid review and synthesis.

PubMed

Topping, Anne; Bøje, Rikke Buus; Rekola, Leena; Hartvigsen, Tina; Prescott, Stephen; Bland, Andrew; Hope, Angela; Haho, Paivi; Hannula, Leena

2015-11-01

This paper presents the results of a systemised rapid review and synthesis of the literature undertaken to identify competencies required by nurse educators to facilitate simulation-based learning (SBL). An international collaboration undertook a protocol-based search, retrieval and critical review. Web of Science, PubMed, CINAHL Plus, PsycInfo, ERIC, the Cochrane Library and Science Direct. The search was limited to articles published in English, 2002-2012. The search terms used: nurse*, learn*, facilitator, simula*, lecturer, competence, skill*, qualificat*, educator, health care, "patient simulation", "nursing education" and "faculty". The search yielded 2156 "hits", following a review of the abstracts, 72 full-text articles were extracted. These were screened against predetermined inclusion/exclusion criteria and nine articles were retained. Following critical appraisal, the articles were analyzed using an inductive approach to extract statements for categorization and synthesis as competency statements. This review confirmed that there was a modest amount of empirical evidence on which to base a competency framework. Those papers that provided descriptions of educator preparation identified simulation-based workshops, or experiential training, as the most common approaches for enhancing skills. SBL was not associated with any one theoretical perspective. Delivery of SBL appeared to demand competencies associated with planning and designing simulations, facilitating learning in "safe" environments, expert nursing knowledge based on credible clinical realism, reference to evidence-based knowledge and demonstration of professional values and identity. This review derived a preliminary competency framework. This needs further development as a model for educators delivering SBL as part of nursing curricula. Copyright © 2015. Published by Elsevier Ltd.

Application of the MNA design method to a nonlinear turbofan engine. [multivariable Nyquist array method

NASA Technical Reports Server (NTRS)

Leininger, G. G.

1981-01-01

Using nonlinear digital simulation as a representative model of the dynamic operation of the QCSEE turbofan engine, a feedback control system is designed by variable frequency design techniques. Transfer functions are generated for each of five power level settings covering the range of operation from approach power to full throttle (62.5% to 100% full power). These transfer functions are then used by an interactive control system design synthesis program to provide a closed loop feedback control using the multivariable Nyquist array and extensions to multivariable Bode diagrams and Nichols charts.

A review of theoretical study of graphene chemical vapor deposition synthesis on metals: nucleation, growth, and the role of hydrogen and oxygen

NASA Astrophysics Data System (ADS)

Rezwan Habib, Mohammad; Liang, Tao; Yu, Xuegong; Pi, Xiaodong; Liu, Yingchun; Xu, Mingsheng

2018-03-01

Graphene has attracted intense research interest due to its extraordinary properties and great application potential. Various methods have been proposed for the synthesis of graphene, among which chemical vapor deposition has drawn a great deal of attention for synthesizing large-area and high-quality graphene. Theoretical understanding of the synthesis mechanism is crucial for optimizing the experimental design for desired graphene production. In this review, we discuss the three fundamental steps of graphene synthesis in details, i.e. (1) decomposition of carbon feedstocks and formation of various active carbon species, (2) nucleation, and (3) attachment and extension. We provide a complete scenario of graphene synthesis on metal surfaces at atomistic level by means of density functional theory, molecular dynamics (MD), Monte Carlo (MC) and their combination and interface with other simulation methods such as quantum mechanical molecular dynamics, density functional tight binding molecular dynamics, and combination of MD and MC. We also address the latest investigation of the influences of the hydrogen and oxygen on the synthesis and the quality of the synthesized graphene.

An integrative cross-design synthesis approach to estimate the cost of illness: an applied case to the cost of depression in Catalonia.

PubMed

Bendeck, Murielle; Serrano-Blanco, Antoni; García-Alonso, Carlos; Bonet, Pere; Jordà, Esther; Sabes-Figuera, Ramon; Salvador-Carulla, Luis

2013-04-01

Cost of illness (COI) studies are carried out under conditions of uncertainty and with incomplete information. There are concerns regarding their generalisability, accuracy and usability in evidence-informed care. A hybrid methodology is used to estimate the regional costs of depression in Catalonia (Spain) following an integrative approach. The cross-design synthesis included nominal groups and quantitative analysis of both top-down and bottom-up studies, and incorporated primary and secondary data from different sources of information in Catalonia. Sensitivity analysis used probabilistic Monte Carlo simulation modelling. A dissemination strategy was planned, including a standard form adapted from cost-effectiveness studies to summarise methods and results. The method used allows for a comprehensive estimate of the cost of depression in Catalonia. Health officers and decision-makers concluded that this methodology provided useful information and knowledge for evidence-informed planning in mental health. The mix of methods, combined with a simulation model, contributed to a reduction in data gaps and, in conditions of uncertainty, supplied more complete information on the costs of depression in Catalonia. This approach to COI should be differentiated from other COI designs to allow like-with-like comparisons. A consensus on COI typology, procedures and dissemination is needed.

Analysis and synthesis of (SAR) waveguide phased array antennas

NASA Astrophysics Data System (ADS)

Visser, H. J.

1994-02-01

This report describes work performed due to ESA contract No. 101 34/93/NL/PB. Started is with a literature study on dual polarized waveguide radiators, resulting in the choice for the open ended square waveguide. After a thorough description of the mode matching infinite waveguide array analysis method - including finiteness effects - that forms the basis for all further described analysis and synthesis methods, the accuracy of the analysis software is validated by comparison with measurements on two realized antennas. These antennas have centered irises in the waveguide apertures and a dielectric wide angle impedance matching sheet in front of the antenna. A synthesis method, using simulated annealing and downhill simplex, is described next and different antenna designs, based on the analysis of a single element in an infinite array environment, are presented. Next, designs of subarrays are presented. Shown is the paramount importance of including the array environment in the design of a subarray. A microstrip patch waveguide exciter and subarray feeding network are discussed and the depth of the waveguide radiator is estimated. Chosen is a rectangular grid array with waveguides of 2.5 cm depth without irises and without dielectric sheet, grouped in linear 8 elements subarrays.

Design of a composite filter realizable on practical spatial light modulators

NASA Technical Reports Server (NTRS)

Rajan, P. K.; Ramakrishnan, Ramachandran

1994-01-01

Hybrid optical correlator systems use two spatial light modulators (SLM's), one at the input plane and the other at the filter plane. Currently available SLM's such as the deformable mirror device (DMD) and liquid crystal television (LCTV) SLM's exhibit arbitrarily constrained operating characteristics. The pattern recognition filters designed with the assumption that the SLM's have ideal operating characteristic may not behave as expected when implemented on the DMD or LCTV SLM's. Therefore it is necessary to incorporate the SLM constraints in the design of the filters. In this report, an iterative method is developed for the design of an unconstrained minimum average correlation energy (MACE) filter. Then using this algorithm a new approach for the design of a SLM constrained distortion invariant filter in the presence of input SLM is developed. Two different optimization algorithms are used to maximize the objective function during filter synthesis, one based on the simplex method and the other based on the Hooke and Jeeves method. Also, the simulated annealing based filter design algorithm proposed by Khan and Rajan is refined and improved. The performance of the filter is evaluated in terms of its recognition/discrimination capabilities using computer simulations and the results are compared with a simulated annealing optimization based MACE filter. The filters are designed for different LCTV SLM's operating characteristics and the correlation responses are compared. The distortion tolerance and the false class image discrimination qualities of the filter are comparable to those of the simulated annealing based filter but the new filter design takes about 1/6 of the computer time taken by the simulated annealing filter design.

Stability analysis using SDSA tool

NASA Astrophysics Data System (ADS)

Goetzendorf-Grabowski, Tomasz; Mieszalski, Dawid; Marcinkiewicz, Ewa

2011-11-01

The SDSA (Simulation and Dynamic Stability Analysis) application is presented as a tool for analysing the dynamic characteristics of the aircraft just in the conceptual design stage. SDSA is part of the CEASIOM (Computerized Environment for Aircraft Synthesis and Integrated Optimization Methods) software environment which was developed within the SimSAC (Simulating Aircraft Stability And Control Characteristics for Use in Conceptual Design) project, funded by the European Commission 6th Framework Program. SDSA can also be used as stand alone software, and integrated with other design and optimisation systems using software wrappers. This paper focuses on the main functionalities of SDSA and presents both computational and free flight experimental results to compare and validate the presented software. Two aircraft are considered, the EADS Ranger 2000 and the Warsaw University designed PW-6 glider. For the two cases considered here the SDSA software is shown to be an excellent tool for predicting dynamic characteristics of an aircraft.

Modeling and Analysis of Power Processing Systems (MAPPS), initial phase 2

NASA Technical Reports Server (NTRS)

Yu, Y.; Lee, F. C.; Wangenheim, H.; Warren, D.

1977-01-01

The overall objective of the program is to provide the engineering tools to reduce the analysis, design, and development effort, and thus the cost, in achieving the required performances for switching regulators and dc-dc converter systems. The program was both tutorial and application oriented. Various analytical methods were described in detail and supplemented with examples, and those with standardization appeals were reduced into computer-based subprograms. Major program efforts included those concerning small and large signal control-dependent performance analysis and simulation, control circuit design, power circuit design and optimization, system configuration study, and system performance simulation. Techniques including discrete time domain, conventional frequency domain, Lagrange multiplier, nonlinear programming, and control design synthesis were employed in these efforts. To enhance interactive conversation between the modeling and analysis subprograms and the user, a working prototype of the Data Management Program was also developed to facilitate expansion as future subprogram capabilities increase.

2010 Joint Chemical Biological Radiological Nuclear (CBRN) Conference and Exhibition (BRIEFING CHARTS)

DTIC Science & Technology

2010-06-24

control Defensive Test Chamber • Certified for Chem-Bio simulants • Man-in-simulant (MIST) testing Bang Box • Explosive material synthesis and testing...Explosive material synthesis and testing Bang Box –Peroxide Explosives Properties – HMTD, TATP, DADP –Peroxide Explosives as Initiators –TATP... Synthesis –HMTD Synthesis –RDX Synthesis –ANFO Mixture Mustang VILLAGE Approved for public release; distribution is unlimited. • Hotel, Post Office

A proposed simulation method for directed self-assembly of nanographene

NASA Astrophysics Data System (ADS)

Geraets, J. A.; Baldwin, J. P. C.; Twarock, R.; Hancock, Y.

2017-09-01

A methodology for predictive kinetic self-assembly modeling of bottom-up chemical synthesis of nanographene is proposed. The method maintains physical transparency in using a novel array format to efficiently store molecule information and by using array operations to determine reaction possibilities. Within a minimal model approach, the parameter space for the bond activation energies (i.e. molecule functionalization) at fixed reaction temperature and initial molecule concentrations is explored. Directed self-assembly of nanographene from functionalized tetrabenzanthracene and benzene is studied with regions in the activation energy phase-space showing length-to-width ratio tunability. The degree of defects and reaction reproducibility in the simulations is also determined, with the rate of functionalized benzene addition providing additional control of the dimension and quality of the nanographene. Comparison of the reaction energetics to available density functional theory data suggests the synthesis may be experimentally tenable using aryl-halide cross-coupling and noble metal surface-assisted catalysis. With full access to the intermediate reaction network and with dynamic coupling to density functional theory-informed tight-binding simulation, the method is proposed as a computationally efficient means towards detailed simulation-driven design of new nanographene systems.

Image synthesis for SAR system, calibration and processor design

NASA Technical Reports Server (NTRS)

Holtzman, J. C.; Abbott, J. L.; Kaupp, V. H.; Frost, V. S.

1978-01-01

The Point Scattering Method of simulating radar imagery rigorously models all aspects of the imaging radar phenomena. Its computational algorithms operate on a symbolic representation of the terrain test site to calculate such parameters as range, angle of incidence, resolution cell size, etc. Empirical backscatter data and elevation data are utilized to model the terrain. Additionally, the important geometrical/propagation effects such as shadow, foreshortening, layover, and local angle of incidence are rigorously treated. Applications of radar image simulation to a proposed calibrated SAR system are highlighted: soil moisture detection and vegetation discrimination.

Physical-level synthesis for digital lab-on-a-chip considering variation, contamination, and defect.

PubMed

Liao, Chen; Hu, Shiyan

2014-03-01

Microfluidic lab-on-a-chips have been widely utilized in biochemical analysis and human health studies due to high detection accuracy, high timing efficiency, and low cost. The increasing design complexity of lab-on-a-chips necessitates the computer-aided design (CAD) methodology in contrast to the classical manual design methodology. A key part in lab-on-a-chip CAD is physical-level synthesis. It includes the lab-on-a-chip placement and routing, where placement is to determine the physical location and the starting time of each operation and routing is to transport each droplet from the source to the destination. In the lab-on-a-chip design, variation, contamination, and defect need to be considered. This work designs a physical-level synthesis flow which simultaneously considers variation, contamination, and defect of the lab-on-a-chip design. It proposes a maze routing based, variation, contamination, and defect aware droplet routing technique, which is seamlessly integrated into an existing placement technique. The proposed technique improves the placement solution for routing and achieves the placement and routing co-optimization to handle variation, contamination, and defect. The simulation results demonstrate that our technique does not use any defective/contaminated grids, while the technique without considering contamination and defect uses 17.0% of the defective/contaminated grids on average. In addition, our routing variation aware technique significantly improves the average routing yield by 51.2% with only 3.5% increase in completion time compared to a routing variation unaware technique.

Robust Gain-Scheduled Fault Tolerant Control for a Transport Aircraft

NASA Technical Reports Server (NTRS)

Shin, Jong-Yeob; Gregory, Irene

2007-01-01

This paper presents an application of robust gain-scheduled control concepts using a linear parameter-varying (LPV) control synthesis method to design fault tolerant controllers for a civil transport aircraft. To apply the robust LPV control synthesis method, the nonlinear dynamics must be represented by an LPV model, which is developed using the function substitution method over the entire flight envelope. The developed LPV model associated with the aerodynamic coefficient uncertainties represents nonlinear dynamics including those outside the equilibrium manifold. Passive and active fault tolerant controllers (FTC) are designed for the longitudinal dynamics of the Boeing 747-100/200 aircraft in the presence of elevator failure. Both FTC laws are evaluated in the full nonlinear aircraft simulation in the presence of the elevator fault and the results are compared to show pros and cons of each control law.

Application of active controls technology to aircraft bide smoothing systems

NASA Technical Reports Server (NTRS)

Lapins, M.; Jacobson, I. D.

1975-01-01

A critical review of past efforts in the design and testing of ride smoothing and gust alleviation systems is presented. Design trade offs involving sensor types, choice of feedback loops, human comfort, and aircraft handling-qualities criteria are discussed. Synthesis of a system designed to employ direct-lift and side-force producing surfaces is reported. Two STOL aircraft and an executive transport are considered. Theoretically predicted system performance is compared with hybrid simulation and flight test data. Pilot opinion rating, pilot workload, and passenger comfort rating data for the basic and augmented aircraft are included.

Automation of On-Board Flightpath Management

NASA Technical Reports Server (NTRS)

Erzberger, H.

1981-01-01

The status of concepts and techniques for the design of onboard flight path management systems is reviewed. Such systems are designed to increase flight efficiency and safety by automating the optimization of flight procedures onboard aircraft. After a brief review of the origins and functions of such systems, two complementary methods are described for attacking the key design problem, namely, the synthesis of efficient trajectories. One method optimizes en route, the other optimizes terminal area flight; both methods are rooted in optimal control theory. Simulation and flight test results are reviewed to illustrate the potential of these systems for fuel and cost savings.

Application of Active Controls Technology to Aircraft Ride Smoothing Systems

NASA Technical Reports Server (NTRS)

Lapins, Maris; Jacobson, Ira D.

1975-01-01

A critical review of past efforts in the design and testing of ride smoothing and gust alleviation systems is presented. Design trade-offs involving sensor types, choice of feedback loops, human comfort and aircraft handling-qualities criteria are discussed. Synthesis of a system designed to employ direct-lift and side-force producing surfaces is reported. Two STOL-class aircraft and an executive transport are considered. Theoretically-predicted system performance is compared with hybrid simulation and flight test data. Pilot opinion rating, pilot workload, and passenger comfort rating data for the basic and augmented aircraft are included.

Antenna analysis using neural networks

NASA Technical Reports Server (NTRS)

Smith, William T.

1992-01-01

Conventional computing schemes have long been used to analyze problems in electromagnetics (EM). The vast majority of EM applications require computationally intensive algorithms involving numerical integration and solutions to large systems of equations. The feasibility of using neural network computing algorithms for antenna analysis is investigated. The ultimate goal is to use a trained neural network algorithm to reduce the computational demands of existing reflector surface error compensation techniques. Neural networks are computational algorithms based on neurobiological systems. Neural nets consist of massively parallel interconnected nonlinear computational elements. They are often employed in pattern recognition and image processing problems. Recently, neural network analysis has been applied in the electromagnetics area for the design of frequency selective surfaces and beam forming networks. The backpropagation training algorithm was employed to simulate classical antenna array synthesis techniques. The Woodward-Lawson (W-L) and Dolph-Chebyshev (D-C) array pattern synthesis techniques were used to train the neural network. The inputs to the network were samples of the desired synthesis pattern. The outputs are the array element excitations required to synthesize the desired pattern. Once trained, the network is used to simulate the W-L or D-C techniques. Various sector patterns and cosecant-type patterns (27 total) generated using W-L synthesis were used to train the network. Desired pattern samples were then fed to the neural network. The outputs of the network were the simulated W-L excitations. A 20 element linear array was used. There were 41 input pattern samples with 40 output excitations (20 real parts, 20 imaginary). A comparison between the simulated and actual W-L techniques is shown for a triangular-shaped pattern. Dolph-Chebyshev is a different class of synthesis technique in that D-C is used for side lobe control as opposed to pattern shaping. The interesting thing about D-C synthesis is that the side lobes have the same amplitude. Five-element arrays were used. Again, 41 pattern samples were used for the input. Nine actual D-C patterns ranging from -10 dB to -30 dB side lobe levels were used to train the network. A comparison between simulated and actual D-C techniques for a pattern with -22 dB side lobe level is shown. The goal for this research was to evaluate the performance of neural network computing with antennas. Future applications will employ the backpropagation training algorithm to drastically reduce the computational complexity involved in performing EM compensation for surface errors in large space reflector antennas.

Antenna analysis using neural networks

NASA Astrophysics Data System (ADS)

Smith, William T.

1992-09-01

Conventional computing schemes have long been used to analyze problems in electromagnetics (EM). The vast majority of EM applications require computationally intensive algorithms involving numerical integration and solutions to large systems of equations. The feasibility of using neural network computing algorithms for antenna analysis is investigated. The ultimate goal is to use a trained neural network algorithm to reduce the computational demands of existing reflector surface error compensation techniques. Neural networks are computational algorithms based on neurobiological systems. Neural nets consist of massively parallel interconnected nonlinear computational elements. They are often employed in pattern recognition and image processing problems. Recently, neural network analysis has been applied in the electromagnetics area for the design of frequency selective surfaces and beam forming networks. The backpropagation training algorithm was employed to simulate classical antenna array synthesis techniques. The Woodward-Lawson (W-L) and Dolph-Chebyshev (D-C) array pattern synthesis techniques were used to train the neural network. The inputs to the network were samples of the desired synthesis pattern. The outputs are the array element excitations required to synthesize the desired pattern. Once trained, the network is used to simulate the W-L or D-C techniques. Various sector patterns and cosecant-type patterns (27 total) generated using W-L synthesis were used to train the network. Desired pattern samples were then fed to the neural network. The outputs of the network were the simulated W-L excitations. A 20 element linear array was used. There were 41 input pattern samples with 40 output excitations (20 real parts, 20 imaginary).

Synthesis of an optoelectronic system for tracking (OEST) the information track of the optical record carrier based on the acceleration control principle

NASA Astrophysics Data System (ADS)

Zalogin, Stanislav M.; Zalogin, M. S.

1997-02-01

The problem for construction of control algorithm in OEST the information track of the optical record carrier the realization of which is based on the use of accelerations is considered. Such control algorithms render the designed system the properties of adaptability, feeble sensitivity to the system parameter change and the action of disturbing forces what gives known advantages to information carriers with such system under operation in hard climate conditions as well as at maladjustment, workpieces wear and change of friction in the system. In the paper are investigated dynamic characteristics of a closed OEST, it is shown, that the designed stable system with given quality indices is a high-precision one. The validated recommendations as to design of control algorithms parameters are confirmed by results of mathematical simulation of controlled processes. The proposed methods for OEST synthesis on the basis of the control acceleration principle can be recommended for the use at industrial production of optical information record carriers.

Directionality compensation for linear multivariable anti-windup synthesis

NASA Astrophysics Data System (ADS)

Adegbege, Ambrose A.; Heath, William P.

2015-11-01

We develop new synthesis procedures for optimising anti-windup control applicable to open-loop exponentially stable multivariable plants subject to hard bounds on the inputs. The optimising anti-windup control falls into a class of compensator commonly termed directionality compensation. The computation of the control involves the online solution of a low-order quadratic programme in place of simple saturation. We exploit the structure of the quadratic programme to incorporate directionality information into the offline anti-windup synthesis using a decoupled architecture similar to that proposed in the literature for anti-windup schemes with simple saturation. We demonstrate the effectiveness of the design compared to several schemes using a simulated example. Preliminary results of this work have been published in the proceedings of the IEEE Conference on Decision and Control, Orlando, 2011 (Adegbege & Heath, 2011a).

Study to determine potential flight applications and human factors design guidelines for voice recognition and synthesis systems

NASA Astrophysics Data System (ADS)

White, R. W.; Parks, D. L.

1985-07-01

A study was conducted to determine potential commercial aircraft flight deck applications and implementation guidelines for voice recognition and synthesis. At first, a survey of voice recognition and synthesis technology was undertaken to develop a working knowledge base. Then, numerous potential aircraft and simulator flight deck voice applications were identified and each proposed application was rated on a number of criteria in order to achieve an overall payoff rating. The potential voice recognition applications fell into five general categories: programming, interrogation, data entry, switch and mode selection, and continuous/time-critical action control. The ratings of the first three categories showed the most promise of being beneficial to flight deck operations. Possible applications of voice synthesis systems were categorized as automatic or pilot selectable and many were rated as being potentially beneficial. In addition, voice system implementation guidelines and pertinent performance criteria are proposed. Finally, the findings of this study are compared with those made in a recent NASA study of a 1995 transport concept.

Study to determine potential flight applications and human factors design guidelines for voice recognition and synthesis systems

NASA Technical Reports Server (NTRS)

White, R. W.; Parks, D. L.

1985-01-01

A study was conducted to determine potential commercial aircraft flight deck applications and implementation guidelines for voice recognition and synthesis. At first, a survey of voice recognition and synthesis technology was undertaken to develop a working knowledge base. Then, numerous potential aircraft and simulator flight deck voice applications were identified and each proposed application was rated on a number of criteria in order to achieve an overall payoff rating. The potential voice recognition applications fell into five general categories: programming, interrogation, data entry, switch and mode selection, and continuous/time-critical action control. The ratings of the first three categories showed the most promise of being beneficial to flight deck operations. Possible applications of voice synthesis systems were categorized as automatic or pilot selectable and many were rated as being potentially beneficial. In addition, voice system implementation guidelines and pertinent performance criteria are proposed. Finally, the findings of this study are compared with those made in a recent NASA study of a 1995 transport concept.

Testing and validating the CERES-wheat (Crop Estimation through Resource and Environment Synthesis-wheat) model in diverse environments

NASA Technical Reports Server (NTRS)

Otter-Nacke, S.; Godwin, D. C.; Ritchie, J. T.

1986-01-01

CERES-Wheat is a computer simulation model of the growth, development, and yield of spring and winter wheat. It was designed to be used in any location throughout the world where wheat can be grown. The model is written in Fortran 77, operates on a daily time stop, and runs on a range of computer systems from microcomputers to mainframes. Two versions of the model were developed: one, CERES-Wheat, assumes nitrogen to be nonlimiting; in the other, CERES-Wheat-N, the effects of nitrogen deficiency are simulated. The report provides the comparisons of simulations and measurements of about 350 wheat data sets collected from throughout the world.

Design and implementation of highly parallel pipelined VLSI systems

NASA Astrophysics Data System (ADS)

Delange, Alphonsus Anthonius Jozef

A methodology and its realization as a prototype CAD (Computer Aided Design) system for the design and analysis of complex multiprocessor systems is presented. The design is an iterative process in which the behavioral specifications of the system components are refined into structural descriptions consisting of interconnections and lower level components etc. A model for the representation and analysis of multiprocessor systems at several levels of abstraction and an implementation of a CAD system based on this model are described. A high level design language, an object oriented development kit for tool design, a design data management system, and design and analysis tools such as a high level simulator and graphics design interface which are integrated into the prototype system and graphics interface are described. Procedures for the synthesis of semiregular processor arrays, and to compute the switching of input/output signals, memory management and control of processor array, and sequencing and segmentation of input/output data streams due to partitioning and clustering of the processor array during the subsequent synthesis steps, are described. The architecture and control of a parallel system is designed and each component mapped to a module or module generator in a symbolic layout library, compacted for design rules of VLSI (Very Large Scale Integration) technology. An example of the design of a processor that is a useful building block for highly parallel pipelined systems in the signal/image processing domains is given.

Cell Libraries

NASA Technical Reports Server (NTRS)

1994-01-01

A NASA contract led to the development of faster and more energy efficient semiconductor materials for digital integrated circuits. Gallium arsenide (GaAs) conducts electrons 4-6 times faster than silicon and uses less power at frequencies above 100-150 megahertz. However, the material is expensive, brittle, fragile and has lacked computer automated engineering tools to solve this problem. Systems & Processes Engineering Corporation (SPEC) developed a series of GaAs cell libraries for cell layout, design rule checking, logic synthesis, placement and routing, simulation and chip assembly. The system is marketed by Compare Design Automation.

Synthetic river valleys: Creating prescribed topography for form-process inquiry and river rehabilitation design

NASA Astrophysics Data System (ADS)

Brown, R. A.; Pasternack, G. B.; Wallender, W. W.

2014-06-01

The synthesis of artificial landforms is complementary to geomorphic analysis because it affords a reflection on both the characteristics and intrinsic formative processes of real world conditions. Moreover, the applied terminus of geomorphic theory is commonly manifested in the engineering and rehabilitation of riverine landforms where the goal is to create specific processes associated with specific morphology. To date, the synthesis of river topography has been explored outside of geomorphology through artistic renderings, computer science applications, and river rehabilitation design; while within geomorphology it has been explored using morphodynamic modeling, such as one-dimensional simulation of river reach profiles, two-dimensional simulation of river networks, and three-dimensional simulation of subreach scale river morphology. To date, no approach allows geomorphologists, engineers, or river rehabilitation practitioners to create landforms of prescribed conditions. In this paper a method for creating topography of synthetic river valleys is introduced that utilizes a theoretical framework that draws from fluvial geomorphology, computer science, and geometric modeling. Such a method would be valuable to geomorphologists in understanding form-process linkages as well as to engineers and river rehabilitation practitioners in developing design surfaces that can be rapidly iterated. The method introduced herein relies on the discretization of river valley topography into geometric elements associated with overlapping and orthogonal two-dimensional planes such as the planform, profile, and cross section that are represented by mathematical functions, termed geometric element equations. Topographic surfaces can be parameterized independently or dependently using a geomorphic covariance structure between the spatial series of geometric element equations. To illustrate the approach and overall model flexibility examples are provided that are associated with mountain, lowland, and hybrid synthetic river valleys. To conclude, recommended advances such as multithread channels are discussed along with potential applications.

EHW Approach to Temperature Compensation of Electronics

NASA Technical Reports Server (NTRS)

Stoica, Adrian

2004-01-01

Efforts are under way to apply the concept of evolvable hardware (EHW) to compensate for variations, with temperature, in the operational characteristics of electronic circuits. To maintain the required functionality of a given circuit at a temperature above or below the nominal operating temperature for which the circuit was originally designed, a new circuit would be evolved; moreover, to obtain the required functionality over a very wide temperature range, there would be evolved a number of circuits, each of which would satisfy the performance requirements over a small part of the total temperature range. The basic concepts and some specific implementations of EHW were described in a number of previous NASA Tech Briefs articles, namely, "Reconfigurable Arrays of Transistors for Evolvable Hardware" (NPO-20078), Vol. 25, No. 2 (February 2001), page 36; Evolutionary Automated Synthesis of Electronic Circuits (NPO- 20535), Vol. 26, No. 7 (July 2002), page 37; "Designing Reconfigurable Antennas Through Hardware Evolution" (NPO-20666), Vol. 26, No. 7 (July 2002), page 38; "Morphing in Evolutionary Synthesis of Electronic Circuits" (NPO-20837), Vol. 26, No. 8 (August 2002), page 31; "Mixtrinsic Evolutionary Synthesis of Electronic Circuits" (NPO-20773) Vol. 26, No. 8 (August 2002), page 32; and "Synthesis of Fuzzy-Logic Circuits in Evolvable Hardware" (NPO-21095) Vol. 26, No. 11 (November 2002), page 38. To recapitulate from the cited prior articles: EHW is characterized as evolutionary in a quasi-genetic sense. The essence of EHW is to construct and test a sequence of populations of circuits that function as incrementally better solutions of a given design problem through the selective, repetitive connection and/or disconnection of capacitors, transistors, amplifiers, inverters, and/or other circuit building blocks. The connection and disconnection can be effected by use of field-programmable transistor arrays (FPTAs). The evolution is guided by a search-andoptimization algorithm (in particular, a genetic algorithm) that operates in the space of possible circuits to find a circuit that exhibits an acceptably close approximation of the desired functionality. The evolved circuits can be tested by mathematical modeling (that is, computational simulation) only, tested in real hardware, or tested in combinations of computational simulation and real hardware.

Predictive Array Design. A method for sampling combinatorial chemistry library space.

PubMed

Lipkin, M J; Rose, V S; Wood, J

2002-01-01

A method, Predictive Array Design, is presented for sampling combinatorial chemistry space and selecting a subarray for synthesis based on the experimental design method of Latin Squares. The method is appropriate for libraries with three sites of variation. Libraries with four sites of variation can be designed using the Graeco-Latin Square. Simulated annealing is used to optimise the physicochemical property profile of the sub-array. The sub-array can be used to make predictions of the activity of compounds in the all combinations array if we assume each monomer has a relatively constant contribution to activity and that the activity of a compound is composed of the sum of the activities of its constitutive monomers.

Smsynth: AN Imagery Synthesis System for Soil Moisture Retrieval

NASA Astrophysics Data System (ADS)

Cao, Y.; Xu, L.; Peng, J.

2018-04-01

Soil moisture (SM) is a important variable in various research areas, such as weather and climate forecasting, agriculture, drought and flood monitoring and prediction, and human health. An ongoing challenge in estimating SM via synthetic aperture radar (SAR) is the development of the retrieval SM methods, especially the empirical models needs as training samples a lot of measurements of SM and soil roughness parameters which are very difficult to acquire. As such, it is difficult to develop empirical models using realistic SAR imagery and it is necessary to develop methods to synthesis SAR imagery. To tackle this issue, a SAR imagery synthesis system based on the SM named SMSynth is presented, which can simulate radar signals that are realistic as far as possible to the real SAR imagery. In SMSynth, SAR backscatter coefficients for each soil type are simulated via the Oh model under the Bayesian framework, where the spatial correlation is modeled by the Markov random field (MRF) model. The backscattering coefficients simulated based on the designed soil parameters and sensor parameters are added into the Bayesian framework through the data likelihood where the soil parameters and sensor parameters are set as realistic as possible to the circumstances on the ground and in the validity range of the Oh model. In this way, a complete and coherent Bayesian probabilistic framework is established. Experimental results show that SMSynth is capable of generating realistic SAR images that suit the needs of a large amount of training samples of empirical models.

Issues and opportunities: beam simulations for heavy ion fusion

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

Friedman, A

1999-07-15

UCRL- JC- 134975 PREPRINT code offering 3- D, axisymmetric, and ''transverse slice'' (steady flow) geometries, with a hierarchy of models for the ''lattice'' of focusing, bending, and accelerating elements. Interactive and script- driven code steering is afforded through an interpreter interface. The code runs with good parallel scaling on the T3E. Detailed simulations of machine segments and of complete small experiments, as well as simplified full- system runs, have been carried out, partially benchmarking the code. A magnetoinductive model, with module impedance and multi- beam effects, is under study. experiments, including an injector scalable to multi- beam arrays, a high-more » current beam transport and acceleration experiment, and a scaled final- focusing experiment. These ''phase I'' projects are laying the groundwork for the next major step in HIF development, the Integrated Research Experiment (IRE). Simulations aimed directly at the IRE must enable us to: design a facility with maximum power on target at minimal cost; set requirements for hardware tolerances, beam steering, etc.; and evaluate proposed chamber propagation modes. Finally, simulations must enable us to study all issues which arise in the context of a fusion driver, and must facilitate the assessment of driver options. In all of this, maximum advantage must be taken of emerging terascale computer architectures, requiring an aggressive code development effort. An organizing principle should be pursuit of the goal of integrated and detailed source- to- target simulation. methods for analysis of the beam dynamics in the various machine concepts, using moment- based methods for purposes of design, waveform synthesis, steering algorithm synthesis, etc. Three classes of discrete- particle models should be coupled: (1) electrostatic/ magnetoinductive PIC simulations should track the beams from the source through the final- focusing optics, passing details of the time- dependent distribution function to (2) electromagnetic or magnetoinductive PIC or hybrid PIG/ fluid simulations in the fusion chamber (which would finally pass their particle trajectory information to the radiation- hydrodynamics codes used for target design); in parallel, (3) detailed PIC, delta- f, core/ test- particle, and perhaps continuum Vlasov codes should be used to study individual sections of the driver and chamber very carefully; consistency may be assured by linking data from the PIC sequence, and knowledge gained may feed back into that sequence.« less

Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

DTIC Science & Technology

2013-04-01

DTRA-TR-13-23 Synthesis, Characterization, and Multimillion -Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat Approved for...reagents for the destruction of biologically active materials and a simulation of their reactions on a multimillion atom scale with quantum...explosives for destruction of chemical & biological agents. Multimillion -atom molecular dynamics simulations with quantum mechanical accuracy were

Intelligent microchip networks: an agent-on-chip synthesis framework for the design of smart and robust sensor networks

NASA Astrophysics Data System (ADS)

Bosse, Stefan

2013-05-01

Sensorial materials consisting of high-density, miniaturized, and embedded sensor networks require new robust and reliable data processing and communication approaches. Structural health monitoring is one major field of application for sensorial materials. Each sensor node provides some kind of sensor, electronics, data processing, and communication with a strong focus on microchip-level implementation to meet the goals of miniaturization and low-power energy environments, a prerequisite for autonomous behaviour and operation. Reliability requires robustness of the entire system in the presence of node, link, data processing, and communication failures. Interaction between nodes is required to manage and distribute information. One common interaction model is the mobile agent. An agent approach provides stronger autonomy than a traditional object or remote-procedure-call based approach. Agents can decide for themselves, which actions are performed, and they are capable of flexible behaviour, reacting on the environment and other agents, providing some degree of robustness. Traditionally multi-agent systems are abstract programming models which are implemented in software and executed on program controlled computer architectures. This approach does not well scale to micro-chip level and requires full equipped computers and communication structures, and the hardware architecture does not consider and reflect the requirements for agent processing and interaction. We propose and demonstrate a novel design paradigm for reliable distributed data processing systems and a synthesis methodology and framework for multi-agent systems implementable entirely on microchip-level with resource and power constrained digital logic supporting Agent-On-Chip architectures (AoC). The agent behaviour and mobility is fully integrated on the micro-chip using pipelined communicating processes implemented with finite-state machines and register-transfer logic. The agent behaviour, interaction (communication), and mobility features are modelled and specified on a machine-independent abstract programming level using a state-based agent behaviour language (APL). With this APL a high-level agent compiler is able to synthesize a hardware model (RTL, VHDL), a software model (C, ML), or a simulation model (XML) suitable to simulate a multi-agent system using the SeSAm simulator framework. Agent communication is provided by a simple tuple-space database implemented on node level providing fault tolerant access of global data. A novel synthesis development kit (SynDK) based on a graph-structured database approach is introduced to support the rapid development of compilers and synthesis tools, used for example for the design and implementation of the APL compiler.

Feedback control laws for highly maneuverable aircraft

NASA Technical Reports Server (NTRS)

Garrard, William L.; Balas, Gary J.

1994-01-01

During the first half of the year, the investigators concentrated their efforts on completing the design of control laws for the longitudinal axis of the HARV. During the second half of the year they concentrated on the synthesis of control laws for the lateral-directional axes. The longitudinal control law design efforts can be briefly summarized as follows. Longitudinal control laws were developed for the HARV using mu synthesis design techniques coupled with dynamic inversion. An inner loop dynamic inversion controller was used to simplify the system dynamics by eliminating the aerodynamic nonlinearities and inertial cross coupling. Models of the errors resulting from uncertainties in the principal longitudinal aerodynamic terms were developed and included in the model of the HARV with the inner loop dynamic inversion controller. This resulted in an inner loop transfer function model which was an integrator with the modeling errors characterized as uncertainties in gain and phase. Outer loop controllers were then designed using mu synthesis to provide robustness to these modeling errors and give desired response to pilot inputs. Both pitch rate and angle of attack command following systems were designed. The following tasks have been accomplished for the lateral-directional controllers: inner and outer loop dynamic inversion controllers have been designed; an error model based on a linearized perturbation model of the inner loop system was derived; controllers for the inner loop system have been designed, using classical techniques, that control roll rate and Dutch roll response; the inner loop dynamic inversion and classical controllers have been implemented on the six degree of freedom simulation; and lateral-directional control allocation scheme has been developed based on minimizing required control effort.

Optimized FPGA Implementation of the Thyroid Hormone Secretion Mechanism Using CAD Tools.

PubMed

Alghazo, Jaafar M

2017-02-01

The goal of this paper is to implement the secretion mechanism of the Thyroid Hormone (TH) based on bio-mathematical differential eqs. (DE) on an FPGA chip. Hardware Descriptive Language (HDL) is used to develop a behavioral model of the mechanism derived from the DE. The Thyroid Hormone secretion mechanism is simulated with the interaction of the related stimulating and inhibiting hormones. Synthesis of the simulation is done with the aid of CAD tools and downloaded on a Field Programmable Gate Arrays (FPGAs) Chip. The chip output shows identical behavior to that of the designed algorithm through simulation. It is concluded that the chip mimics the Thyroid Hormone secretion mechanism. The chip, operating in real-time, is computer-independent stand-alone system.

Psychoacoustic Analysis of Synthesized Jet Noise

NASA Technical Reports Server (NTRS)

Okcu, Selen; Rathsam, Jonathan; Rizzi, Stephen A.

2013-01-01

An aircraft noise synthesis capability is being developed so the annoyance caused by proposed aircraft can be assessed during the design stage. To make synthesized signals as realistic as possible, high fidelity simulation is required for source (e.g., engine noise, airframe noise), propagation and receiver effects. This psychoacoustic study tests whether the jet noise component of synthesized aircraft engine noise can be made more realistic using a low frequency oscillator (LFO) technique to simulate fluctuations in level observed in recordings. Jet noise predictions are commonly made in the frequency domain based on models of time-averaged empirical data. The synthesis process involves conversion of the frequency domain prediction into an audible pressure time history. However, because the predictions are time-invariant, the synthesized sound lacks fluctuations observed in recordings. Such fluctuations are hypothesized to be perceptually important. To introduce time-varying characteristics into jet noise synthesis, a method has been developed that modulates measured or predicted 1/3-octave band levels with a (<20Hz) LFO. The LFO characteristics are determined through analysis of laboratory jet noise recordings. For the aft emission angle, results indicate that signals synthesized using a generic LFO are perceived as more similar to recordings than those using no LFO, and signals synthesized with an angle-specific LFO are more similar to recordings than those synthesized with a generic LFO.

Automatic Compilation from High-Level Biologically-Oriented Programming Language to Genetic Regulatory Networks

PubMed Central

Beal, Jacob; Lu, Ting; Weiss, Ron

2011-01-01

Background The field of synthetic biology promises to revolutionize our ability to engineer biological systems, providing important benefits for a variety of applications. Recent advances in DNA synthesis and automated DNA assembly technologies suggest that it is now possible to construct synthetic systems of significant complexity. However, while a variety of novel genetic devices and small engineered gene networks have been successfully demonstrated, the regulatory complexity of synthetic systems that have been reported recently has somewhat plateaued due to a variety of factors, including the complexity of biology itself and the lag in our ability to design and optimize sophisticated biological circuitry. Methodology/Principal Findings To address the gap between DNA synthesis and circuit design capabilities, we present a platform that enables synthetic biologists to express desired behavior using a convenient high-level biologically-oriented programming language, Proto. The high level specification is compiled, using a regulatory motif based mechanism, to a gene network, optimized, and then converted to a computational simulation for numerical verification. Through several example programs we illustrate the automated process of biological system design with our platform, and show that our compiler optimizations can yield significant reductions in the number of genes () and latency of the optimized engineered gene networks. Conclusions/Significance Our platform provides a convenient and accessible tool for the automated design of sophisticated synthetic biological systems, bridging an important gap between DNA synthesis and circuit design capabilities. Our platform is user-friendly and features biologically relevant compiler optimizations, providing an important foundation for the development of sophisticated biological systems. PMID:21850228

Automatic compilation from high-level biologically-oriented programming language to genetic regulatory networks.

PubMed

Beal, Jacob; Lu, Ting; Weiss, Ron

2011-01-01

The field of synthetic biology promises to revolutionize our ability to engineer biological systems, providing important benefits for a variety of applications. Recent advances in DNA synthesis and automated DNA assembly technologies suggest that it is now possible to construct synthetic systems of significant complexity. However, while a variety of novel genetic devices and small engineered gene networks have been successfully demonstrated, the regulatory complexity of synthetic systems that have been reported recently has somewhat plateaued due to a variety of factors, including the complexity of biology itself and the lag in our ability to design and optimize sophisticated biological circuitry. To address the gap between DNA synthesis and circuit design capabilities, we present a platform that enables synthetic biologists to express desired behavior using a convenient high-level biologically-oriented programming language, Proto. The high level specification is compiled, using a regulatory motif based mechanism, to a gene network, optimized, and then converted to a computational simulation for numerical verification. Through several example programs we illustrate the automated process of biological system design with our platform, and show that our compiler optimizations can yield significant reductions in the number of genes (~ 50%) and latency of the optimized engineered gene networks. Our platform provides a convenient and accessible tool for the automated design of sophisticated synthetic biological systems, bridging an important gap between DNA synthesis and circuit design capabilities. Our platform is user-friendly and features biologically relevant compiler optimizations, providing an important foundation for the development of sophisticated biological systems.

Combining a Laboratory Practical Class with a Computer Simulation: Studies on the Synthesis of Urea in Isolated Hepatocytes.

ERIC Educational Resources Information Center

Bender, David A.

1986-01-01

Describes how a computer simulation is used with a laboratory experiment on the synthesis of urea in isolated hepatocytes. The simulation calculates the amount of urea formed and the amount of ammonium remaining as the concentrations of ornithine, citrulline, argininosuccinate, arginine, and aspartate are altered. (JN)

Automatic latency equalization in VHDL-implemented complex pipelined systems

NASA Astrophysics Data System (ADS)

Zabołotny, Wojciech M.

2016-09-01

In the pipelined data processing systems it is very important to ensure that parallel paths delay data by the same number of clock cycles. If that condition is not met, the processing blocks receive data not properly aligned in time and produce incorrect results. Manual equalization of latencies is a tedious and error-prone work. This paper presents an automatic method of latency equalization in systems described in VHDL. The proposed method uses simulation to measure latencies and verify introduced correction. The solution is portable between different simulation and synthesis tools. The method does not increase the complexity of the synthesized design comparing to the solution based on manual latency adjustment. The example implementation of the proposed methodology together with a simple design demonstrating its use is available as an open source project under BSD license.

Substructural controller synthesis

NASA Technical Reports Server (NTRS)

Su, Tzu-Jeng; Craig, Roy R., Jr.

1989-01-01

A decentralized design procedure which combines substructural synthesis, model reduction, decentralized controller design, subcontroller synthesis, and controller reduction is proposed for the control design of flexible structures. The structure to be controlled is decomposed into several substructures, which are modeled by component mode synthesis methods. For each substructure, a subcontroller is designed by using the linear quadratic optimal control theory. Then, a controller synthesis scheme called Substructural Controller Synthesis (SCS) is used to assemble the subcontrollers into a system controller, which is to be used to control the whole structure.

Molecular dynamics approaches to the design and synthesis of PCB targeting molecularly imprinted polymers: interference to monomer-template interactions in imprinting of 1,2,3-trichlorobenzene.

PubMed

Cleland, Dougal; Olsson, Gustaf D; Karlsson, Björn C G; Nicholls, Ian A; McCluskey, Adam

2014-02-07

The interactions between each component of the pre-polymerisation mixtures used in the synthesis of molecularly imprinted polymers (MIP) specific for 1,2,3,4,5-pentachlorobenzene (1) and 1,2,3-trichlorobenzene (2) were examined in four molecular dynamics simulations. These simulations revealed that the relative frequency of functional monomer-template (FM-T) interactions was consistent with results obtained by the synthesis and evaluation of the actual MIPs. The higher frequency of 1 interaction with trimethylstyrene (TMS; 54.7%) than 1 interaction with pentafluorostyrene (PFS; 44.7%) correlated with a higher imprinting factor (IF) of 2.1 vs. 1.7 for each functional monomer respectively. The higher frequency of PFS interactions with 2 (29.6%) than TMS interactions with 2 (1.9%) also correlated well with the observed differences in IF (3.7) of 2 MIPs imprinted using PFS as the FM than the IF (2.8) of 2 MIPs imprinted using TMS as the FM. The TMS-1 interaction dominated the molecular simulation due to high interaction energies, but the weaker TMS-2 resulted in low interaction maintenance, and thus lower IF values. Examination of the other pre-polymerisation mixture components revealed that the low levels of TMS-2 interaction was, in part, due to interference caused by the cross linker (CL) ethyleneglycol dimethylacrylate (EGDMA) interactions with TMS. The main reason was, however, attributed to MeOH interactions with TMS in both a hydrogen bond and perpendicular configuration. This positioned a MeOH directly above the π-orbital of all TMS for an average of 63.8% of MD2 creating significant interference to π-π stacking interactions between 2 and TMS. These findings are consistent with the deviation from the 'normal' molecularly imprinted polymer synthesis ratio of 1 : 4 : 20 (T : FM : CL) of 20 : 1 : 29 and 15 : 6 : 29 observed with 2 and TMS and PFS respectively. Our molecular dynamics simulations correctly predicted the high level of interference from other MIP synthesis components. The effect on PFS-1 interaction by MeOH was significantly lower and thus this system was not adversely affected.

Precise attitude control of the Stanford relativity satellite.

NASA Technical Reports Server (NTRS)

Bull, J. S.; Debra, D. B.

1973-01-01

A satellite being designed by the Stanford University to measure (with extremely high precision) the effect of General Relativity is described. Specifically, the satellite will measure two relativistic precessions predicted by the theory: the geodetic effect (6.9 arcsec/yr), due solely to motion about the earth, and the motional effect (0.05 arcsec/yr), due to rotation of the earth. The gyro design requirements, including the requirement for precise attitude control and a dynamic model for attitude control synthesis, are discussed. Closed loop simulation of the satellite's natural dynamics on an analog computer is described.

Rapid Assessment of Agility for Conceptual Design Synthesis

NASA Technical Reports Server (NTRS)

Biezad, Daniel J.

1996-01-01

This project consists of designing and implementing a real-time graphical interface for a workstation-based flight simulator. It is capable of creating a three-dimensional out-the-window scene of the aircraft's flying environment, with extensive information about the aircraft's state displayed in the form of a heads-up-display (HUD) overlay. The code, written in the C programming language, makes calls to Silicon Graphics' Graphics Library (GL) to draw the graphics primitives. Included in this report is a detailed description of the capabilities of the code, including graphical examples, as well as a printout of the code itself

Integrated optics applied to astronomical aperture synthesis III: simulation of components optimized for astronomical interferometry

NASA Astrophysics Data System (ADS)

Nabias, Laurent; Schanen, Isabelle; Berger, Jean-Philippe; Kern, Pierre; Malbet, Fabien; Benech, Pierre

2018-04-01

This paper, "Integrated optics applied to astronomical aperture synthesis III: simulation of components optimized for astronomical interferometry," was presented as part of International Conference on Space Optics—ICSO 1997, held in Toulouse, France.

Design and experimental validation of a flutter suppression controller for the active flexible wing

NASA Technical Reports Server (NTRS)

Waszak, Martin R.; Srinathkumar, S.

1992-01-01

The synthesis and experimental validation of an active flutter suppression controller for the Active Flexible Wing wind tunnel model is presented. The design is accomplished with traditional root locus and Nyquist methods using interactive computer graphics tools and extensive simulation based analysis. The design approach uses a fundamental understanding of the flutter mechanism to formulate a simple controller structure to meet stringent design specifications. Experimentally, the flutter suppression controller succeeded in simultaneous suppression of two flutter modes, significantly increasing the flutter dynamic pressure despite modeling errors in predicted flutter dynamic pressure and flutter frequency. The flutter suppression controller was also successfully operated in combination with another controller to perform flutter suppression during rapid rolling maneuvers.

Guidance and Control of a Small Unmanned Aerial Vehicle and Autonomous Flight Experiments

NASA Astrophysics Data System (ADS)

Fujinaga, Jin; Tokutake, Hiroshi; Sunada, Shigeru

This paper describes the development of a fixed-wing small-size UAV and the design of its flight controllers. The developed UAV’s wing span is 0.6m, and gross weight is 0.27kg. In order to ensure robust performances of the longitudinal and lateral-directional motions of the UAV, flight controllers are designed for these motions with μ-synthesis. Numerical simulations show that the designed controllers attain good robust stabilities and performances, and have good tracking performance for command. After an order-reduction and discretization, the designed flight controllers were implemented in the UAV. A flight test was performed, and the ability of the UAV to fly autonomously, passing over waypoints, was demonstrated.

Synthesis of Multispectral Bands from Hyperspectral Data: Validation Based on Images Acquired by AVIRIS, Hyperion, ALI, and ETM+

NASA Technical Reports Server (NTRS)

Blonski, Slawomir; Glasser, Gerald; Russell, Jeffrey; Ryan, Robert; Terrie, Greg; Zanoni, Vicki

2003-01-01

Spectral band synthesis is a key step in the process of creating a simulated multispectral image from hyperspectral data. In this step, narrow hyperspectral bands are combined into broader multispectral bands. Such an approach has been used quite often, but to the best of our knowledge accuracy of the band synthesis simulations has not been evaluated thus far. Therefore, the main goal of this paper is to provide validation of the spectral band synthesis algorithm used in the ART software. The next section contains a description of the algorithm and an example of its application. Using spectral responses of AVIRIS, Hyperion, ALI, and ETM+, the following section shows how the synthesized spectral bands compare with actual bands, and it presents an evaluation of the simulation accuracy based on results of MODTRAN modeling. In the final sections of the paper, simulated images are compared with data acquired by actual satellite sensors. First, a Landsat 7 ETM+ image is simulated using an AVIRIS hyperspectral data cube. Then, two datasets collected with the Hyperion instrument from the EO-1 satellite are used to simulate multispectral images from the ALI and ETM+ sensors.

New perspectives on the role of α- and β-amylases in transient starch synthesis.

PubMed

Wu, Alex Chi; Ral, Jean-Philippe; Morell, Matthew K; Gilbert, Robert G

2014-01-01

Transient starch in leaves is synthesized by various biosynthetic enzymes in the chloroplasts during the light period. This paper presents the first mathematical model for the (bio)synthesis of the chain-length distribution (CLD) of transient starch to aid the understanding of this synthesis. The model expresses the rate of change of the CLD in terms of the actions of the enzymes involved. Using this to simulate the experimental CLD with different enzyme combinations is a new means to test for enzymes that are significant to the rate of change of the CLD during synthesis. Comparison between the simulated CLD from different enzyme combinations and the experimental CLD in the leaves of the model plant Arabidopsis thaliana indicate α-amylase, in addition to the core starch biosynthetic enzymes, is also involved in the modification of glucans for the synthesis of insoluble starch granules. The simulations suggest involvement of β-amylase, in the absence of α-amylase in mutants, slows the rate of attaining a crystalline-competent CLD for crystallization of glucans to form insoluble starch. This suggests a minor role of β-amylase in shaping normal starch synthesis. The model simulation predicts that debranching of glucans is an efficient mechanism for the attainment of crystalline-competent CLD; however, attaining this is still possible, albeit slower, through combinations of α- and β-amylase in the absence of isoamylase-type debranching enzyme. In Arabidopsis defective in one of the isoamylase-type debranching enzymes, the impact of α-amylase in starch synthesis is reduced, while β-amylase becomes significantly involved, slowing the rate of synthesis in this mutant. Modeling of transient starch CLD brings to light previously unrecognized but significant effects of α- and β-amylase on the rate of transient starch synthesis.

New Perspectives on the Role of α- and β-Amylases in Transient Starch Synthesis

PubMed Central

Wu, Alex Chi; Ral, Jean-Philippe; Morell, Matthew K.; Gilbert, Robert G.

2014-01-01

Transient starch in leaves is synthesized by various biosynthetic enzymes in the chloroplasts during the light period. This paper presents the first mathematical model for the (bio)synthesis of the chain-length distribution (CLD) of transient starch to aid the understanding of this synthesis. The model expresses the rate of change of the CLD in terms of the actions of the enzymes involved. Using this to simulate the experimental CLD with different enzyme combinations is a new means to test for enzymes that are significant to the rate of change of the CLD during synthesis. Comparison between the simulated CLD from different enzyme combinations and the experimental CLD in the leaves of the model plant Arabidopsis thaliana indicate α-amylase, in addition to the core starch biosynthetic enzymes, is also involved in the modification of glucans for the synthesis of insoluble starch granules. The simulations suggest involvement of β-amylase, in the absence of α-amylase in mutants, slows the rate of attaining a crystalline-competent CLD for crystallization of glucans to form insoluble starch. This suggests a minor role of β-amylase in shaping normal starch synthesis. The model simulation predicts that debranching of glucans is an efficient mechanism for the attainment of crystalline-competent CLD; however, attaining this is still possible, albeit slower, through combinations of α- and β-amylase in the absence of isoamylase-type debranching enzyme. In Arabidopsis defective in one of the isoamylase-type debranching enzymes, the impact of α-amylase in starch synthesis is reduced, while β-amylase becomes significantly involved, slowing the rate of synthesis in this mutant. Modeling of transient starch CLD brings to light previously unrecognized but significant effects of α- and β-amylase on the rate of transient starch synthesis. PMID:24971464

DEPSCOR: Research on ARL’s Intelligent Control Architecture: Hierarchical Hybrid-Model Based Design, Verification, Simulation, and Synthesis of Mission Control for Autonomous Underwater Vehicles

DTIC Science & Technology

2007-02-01

shown in Figure 13 and the abstracted commanded environment is shown in Figure 14. Abort? Start Intl End itmi! Aborti Figure 13: Driver for loiter module...module in UPPAAL Aborti ? start Idle *- SteerToPoirt lot er<=2 Stee Doý2 I Abort? 65 66 Figure 14: Stub for loiter module module in UPPAAL Queries

Simulations of Aperture Synthesis Imaging Radar for the EISCAT_3D Project

NASA Astrophysics Data System (ADS)

La Hoz, C.; Belyey, V.

2012-12-01

EISCAT_3D is a project to build the next generation of incoherent scatter radars endowed with multiple 3-dimensional capabilities that will replace the current EISCAT radars in Northern Scandinavia. Aperture Synthesis Imaging Radar (ASIR) is one of the technologies adopted by the EISCAT_3D project to endow it with imaging capabilities in 3-dimensions that includes sub-beam resolution. Complemented by pulse compression, it will provide 3-dimensional images of certain types of incoherent scatter radar targets resolved to about 100 metres at 100 km range, depending on the signal-to-noise ratio. This ability will open new research opportunities to map small structures associated with non-homogeneous, unstable processes such as aurora, summer and winter polar radar echoes (PMSE and PMWE), Natural Enhanced Ion Acoustic Lines (NEIALs), structures excited by HF ionospheric heating, meteors, space debris, and others. To demonstrate the feasibility of the antenna configurations and the imaging inversion algorithms a simulation of synthetic incoherent scattering data has been performed. The simulation algorithm incorporates the ability to control the background plasma parameters with non-homogeneous, non-stationary components over an extended 3-dimensional space. Control over the positions of a number of separated receiving antennas, their signal-to-noise-ratios and arriving phases allows realistic simulation of a multi-baseline interferometric imaging radar system. The resulting simulated data is fed into various inversion algorithms. This simulation package is a powerful tool to evaluate various antenna configurations and inversion algorithms. Results applied to realistic design alternatives of EISCAT_3D will be described.

Comparison of texture synthesis methods for content generation in ultrasound simulation for training

NASA Astrophysics Data System (ADS)

Mattausch, Oliver; Ren, Elizabeth; Bajka, Michael; Vanhoey, Kenneth; Goksel, Orcun

2017-03-01

Navigation and interpretation of ultrasound (US) images require substantial expertise, the training of which can be aided by virtual-reality simulators. However, a major challenge in creating plausible simulated US images is the generation of realistic ultrasound speckle. Since typical ultrasound speckle exhibits many properties of Markov Random Fields, it is conceivable to use texture synthesis for generating plausible US appearance. In this work, we investigate popular classes of texture synthesis methods for generating realistic US content. In a user study, we evaluate their performance for reproducing homogeneous tissue regions in B-mode US images from small image samples of similar tissue and report the best-performing synthesis methods. We further show that regression trees can be used on speckle texture features to learn a predictor for US realism.

Users manual for flight control design programs

NASA Technical Reports Server (NTRS)

Nalbandian, J. Y.

1975-01-01

Computer programs for the design of analog and digital flight control systems are documented. The program DIGADAPT uses linear-quadratic-gaussian synthesis algorithms in the design of command response controllers and state estimators, and it applies covariance propagation analysis to the selection of sampling intervals for digital systems. Program SCHED executes correlation and regression analyses for the development of gain and trim schedules to be used in open-loop explicit-adaptive control laws. A linear-time-varying simulation of aircraft motions is provided by the program TVHIS, which includes guidance and control logic, as well as models for control actuator dynamics. The programs are coded in FORTRAN and are compiled and executed on both IBM and CDC computers.

Convergent and sequential synthesis designs: implications for conducting and reporting systematic reviews of qualitative and quantitative evidence.

PubMed

Hong, Quan Nha; Pluye, Pierre; Bujold, Mathieu; Wassef, Maggy

2017-03-23

Systematic reviews of qualitative and quantitative evidence can provide a rich understanding of complex phenomena. This type of review is increasingly popular, has been used to provide a landscape of existing knowledge, and addresses the types of questions not usually covered in reviews relying solely on either quantitative or qualitative evidence. Although several typologies of synthesis designs have been developed, none have been tested on a large sample of reviews. The aim of this review of reviews was to identify and develop a typology of synthesis designs and methods that have been used and to propose strategies for synthesizing qualitative and quantitative evidence. A review of systematic reviews combining qualitative and quantitative evidence was performed. Six databases were searched from inception to December 2014. Reviews were included if they were systematic reviews combining qualitative and quantitative evidence. The included reviews were analyzed according to three concepts of synthesis processes: (a) synthesis methods, (b) sequence of data synthesis, and (c) integration of data and synthesis results. A total of 459 reviews were included. The analysis of this literature highlighted a lack of transparency in reporting how evidence was synthesized and a lack of consistency in the terminology used. Two main types of synthesis designs were identified: convergent and sequential synthesis designs. Within the convergent synthesis design, three subtypes were found: (a) data-based convergent synthesis design, where qualitative and quantitative evidence is analyzed together using the same synthesis method, (b) results-based convergent synthesis design, where qualitative and quantitative evidence is analyzed separately using different synthesis methods and results of both syntheses are integrated during a final synthesis, and (c) parallel-results convergent synthesis design consisting of independent syntheses of qualitative and quantitative evidence and an interpretation of the results in the discussion. Performing systematic reviews of qualitative and quantitative evidence is challenging because of the multiple synthesis options. The findings provide guidance on how to combine qualitative and quantitative evidence. Also, recommendations are made to improve the conducting and reporting of this type of review.

A highly-active and stable hydrogen evolution catalyst based on pyrite-structured cobalt phosphosulfide

DOE PAGES

Liu, Wen; Hu, Enyuan; Jiang, Hong; ...

2016-02-19

Rational design and controlled synthesis of hybrid structures comprising multiple components with distinctive functionalities are an intriguing and challenging approach to materials development for important energy applications like electrocatalytic hydrogen production, where there is a great need for cost effective, active and durable catalyst materials to replace the precious platinum. Here we report a structure design and sequential synthesis of a highly active and stable hydrogen evolution electrocatalyst material based on pyrite-structured cobalt phosphosulfide nanoparticles grown on carbon nanotubes. The three synthetic steps in turn render electrical conductivity, catalytic activity and stability to the material. The hybrid material exhibits superiormore » activity for hydrogen evolution, achieving current densities of 10 mA cm –2 and 100 mA cm –2 at overpotentials of 48 mV and 109 mV, respectively. Lastly, phosphorus substitution is crucial for the chemical stability and catalytic durability of the material, the molecular origins of which are uncovered by X-ray absorption spectroscopy and computational simulation.« less

Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

PubMed Central

Chi, Miaofang; Wang, Chao; Lei, Yinkai; Wang, Guofeng; Li, Dongguo; More, Karren L.; Lupini, Andrew; Allard, Lawrence F.; Markovic, Nenad M.; Stamenkovic, Vojislav R.

2015-01-01

The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation; nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. This work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance. PMID:26576477

Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

DOE PAGES

Chi, Miaofang; Wang, Chao; Lei, Yinkai; ...

2015-11-18

The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt 3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt 3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation;more » nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. In conlcusion, this work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance.« less

Automated recognition of helium speech. Phase I: Investigation of microprocessor based analysis/synthesis system

NASA Astrophysics Data System (ADS)

Jelinek, H. J.

1986-01-01

This is the Final Report of Electronic Design Associates on its Phase I SBIR project. The purpose of this project is to develop a method for correcting helium speech, as experienced in diver-surface communication. The goal of the Phase I study was to design, prototype, and evaluate a real time helium speech corrector system based upon digital signal processing techniques. The general approach was to develop hardware (an IBM PC board) to digitize helium speech and software (a LAMBDA computer based simulation) to translate the speech. As planned in the study proposal, this initial prototype may now be used to assess expected performance from a self contained real time system which uses an identical algorithm. The Final Report details the work carried out to produce the prototype system. Four major project tasks were: a signal processing scheme for converting helium speech to normal sounding speech was generated. The signal processing scheme was simulated on a general purpose (LAMDA) computer. Actual helium speech was supplied to the simulation and the converted speech was generated. An IBM-PC based 14 bit data Input/Output board was designed and built. A bibliography of references on speech processing was generated.

S.A.M., the Italian Martian Simulation Chamber

NASA Astrophysics Data System (ADS)

Galletta, G.; Ferri, F.; Fanti, G.; D'Alessandro, M.; Bertoloni, G.; Pavarin, D.; Bettanini, C.; Cozza, P.; Pretto, P.; Bianchini, G.; Debei, S.

2006-12-01

The Martian Environment Simulator (SAM “Simulatore di Ambiente Marziano”) is a interdisciplinary project of Astrobiology done at University of Padua. The research is aimed to the study of the survival of the microorganisms exposed to the “extreme” planetary environment. The facility has been designed in order to simulate Mars’ environmental conditions in terms of atmospheric pressure, temperature cycles and UV radiation dose. The bacterial cells, contained into dedicated capsules, will be exposed to thermal cycles simulating diurnal and seasonal Martian cycles. The metabolism of the different biological samples will be analysed at different phases of the experiment, to study their survival and eventual activity of protein synthesis (mortality, mutations and capability of DNA reparing). We describe the experimental facility and provide the perspectives of the biological experiments we will perform in order to provide hints on the possibility of life on Mars either autochthonous or imported from Earth.

Responsive Copolymers for Enhanced Petroleum Recovery

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

McCormick, C.; Hester, R.

The objectives of this work was to: synthesize responsive copolymer systems; characterize molecular structure and solution behavior; measure rheological properties of aqueous fluids in fixed geometry flow profiles; and to tailor final polymer compositions for in situ rheology control under simulated conditions. This report focuses on the synthesis and characterization of novel stimuli responsive copolymers, the investigation of dilute polymer solutions in extensional flow and the design of a rheometer capable of measuring very dilute aqueous polymer solutions at low torque.

Modelling Assisted Design and Synthesis of Highly Porous Materials for Chemical Adsorbents

DTIC Science & Technology

2010-10-01

two phases of crystal, a monoclinic phase within the solution, and after removal from solution a trigonal phase is obtained. The single crystal...days. Single crystal X-ray data showed there existed a monoclinic phase within the solution that, upon removal from solution, rapidly converted to a... monoclinic to trigonal upon desolvation, as the new peak which has emerged matches the simulated PXRD of the trigonal phase. Also, as the sample is

Design of transmission-type phase holograms for a compact radar-cross-section measurement range at 650 GHz.

PubMed

Noponen, Eero; Tamminen, Aleksi; Vaaja, Matti

2007-07-10

A design formalism is presented for transmission-type phase holograms for use in a submillimeter-wave compact radar-cross-section (RCS) measurement range. The design method is based on rigorous electromagnetic grating theory combined with conventional hologram synthesis. Hologram structures consisting of a curved groove pattern on a 320 mmx280 mm Teflon plate are designed to transform an incoming spherical wave at 650 GHz into an output wave generating a 100 mm diameter planar field region (quiet zone) at a distance of 1 m. The reconstructed quiet-zone field is evaluated by a numerical simulation method. The uniformity of the quiet-zone field is further improved by reoptimizing the goal field. Measurement results are given for a test hologram fabricated on Teflon.

The energy-efficient implementation of an adaptive-filtering-based QRS complex detection method for wearable devices

NASA Astrophysics Data System (ADS)

Tian, Shudong; Han, Jun; Yang, Jianwei; Zeng, Xiaoyang

2017-10-01

Electrocardiogram (ECG) can be used as a valid way for diagnosing heart disease. To fulfill ECG processing in wearable devices by reducing computation complexity and hardware cost, two kinds of adaptive filters are designed to perform QRS complex detection and motion artifacts removal, respectively. The proposed design achieves a sensitivity of 99.49% and a positive predictivity of 99.72%, tested under the MIT-BIH ECG database. The proposed design is synthesized under the SMIC 65-nm CMOS technology and verified by post-synthesis simulation. Experimental results show that the power consumption and area cost of this design are of 160 μW and 1.09 × 10 5 μm2, respectively. Project supported by the National Natural Science Foundation of China (Nos. 61574040, 61234002, 61525401).

Flutter suppression for the Active Flexible Wing - Control system design and experimental validation

NASA Technical Reports Server (NTRS)

Waszak, M. R.; Srinathkumar, S.

1992-01-01

The synthesis and experimental validation of a control law for an active flutter suppression system for the Active Flexible Wing wind-tunnel model is presented. The design was accomplished with traditional root locus and Nyquist methods using interactive computer graphics tools and with extensive use of simulation-based analysis. The design approach relied on a fundamental understanding of the flutter mechanism to formulate understanding of the flutter mechanism to formulate a simple control law structure. Experimentally, the flutter suppression controller succeeded in simultaneous suppression of two flutter modes, significantly increasing the flutter dynamic pressure despite errors in the design model. The flutter suppression controller was also successfully operated in combination with a rolling maneuver controller to perform flutter suppression during rapid rolling maneuvers.

Innovative applications of artificial intelligence

NASA Astrophysics Data System (ADS)

Schorr, Herbert; Rappaport, Alain

Papers concerning applications of artificial intelligence are presented, covering applications in aerospace technology, banking and finance, biotechnology, emergency services, law, media planning, music, the military, operations management, personnel management, retail packaging, and manufacturing assembly and design. Specific topics include Space Shuttle telemetry monitoring, an intelligent training system for Space Shuttle flight controllers, an expert system for the diagnostics of manufacturing equipment, a logistics management system, a cooling systems design assistant, and a knowledge-based integrated circuit design critic. Additional topics include a hydraulic circuit design assistant, the use of a connector assembly specification expert system to harness detailed assembly process knowledge, a mixed initiative approach to airlift planning, naval battle management decision aids, an inventory simulation tool, a peptide synthesis expert system, and a system for planning the discharging and loading of container ships.

Microfluidic Synthesis of Hybrid Nanoparticles with Controlled Lipid Layers: Understanding Flexibility-Regulated Cell-Nanoparticle Interaction.

PubMed

Zhang, Lu; Feng, Qiang; Wang, Jiuling; Zhang, Shuai; Ding, Baoquan; Wei, Yujie; Dong, Mingdong; Ryu, Ji-Young; Yoon, Tae-Young; Shi, Xinghua; Sun, Jiashu; Jiang, Xingyu

2015-10-27

The functionalized lipid shell of hybrid nanoparticles plays an important role for improving their biocompatibility and in vivo stability. Yet few efforts have been made to critically examine the shell structure of nanoparticles and its effect on cell-particle interaction. Here we develop a microfluidic chip allowing for the synthesis of structurally well-defined lipid-polymer nanoparticles of the same sizes, but covered with either lipid-monolayer-shell (MPs, monolayer nanoparticles) or lipid-bilayer-shell (BPs, bilayer nanoparticles). Atomic force microscope and atomistic simulations reveal that MPs have a lower flexibility than BPs, resulting in a more efficient cellular uptake and thus anticancer effect than BPs do. This flexibility-regulated cell-particle interaction may have important implications for designing drug nanocarriers.

Building blocks for correlated superconductors and magnets

DOE PAGES

Sarrao, J. L.; Ronning, F.; Bauer, E. D.; ...

2015-04-01

Recent efforts at Los Alamos to discover strongly correlated superconductors and hard ferromagnets are reviewed. While serendipity remains a principal engine of materials discovery, design principles and structural building blocks are beginning to emerge that hold potential for predictive discovery. In addition, successes over the last decade with the so-called “115” strongly correlated superconductors are summarized, and more recent efforts to translate these insights and principles to novel hard magnets are discussed. While true “materials by design” remains a distant aspiration, progress is being made in coupling empirical design principles to electronic structure simulation to accelerate and guide materials designmore » and synthesis.« less

Design of stapled DNA-minor-groove-binding molecules with a mutable atom simulated annealing method

NASA Astrophysics Data System (ADS)

Walker, Wynn L.; Kopka, Mary L.; Dickerson, Richard E.; Goodsell, David S.

1997-11-01

We report the design of optimal linker geometries for the synthesis of stapledDNA-minor-groove-binding molecules. Netropsin, distamycin, and lexitropsinsbind side-by-side to mixed-sequence DNA and offer an opportunity for thedesign of sequence-reading molecules. Stapled molecules, with two moleculescovalently linked side-by-side, provide entropic gains and restrain theposition of one molecule relative to its neighbor. Using a free-atom simulatedannealing technique combined with a discrete mutable atom definition, optimallengths and atomic composition for covalent linkages are determined, and anovel hydrogen bond `zipper' is proposed to phase two molecules accuratelyside-by-side.

Serial multiplier arrays for parallel computation

NASA Technical Reports Server (NTRS)

Winters, Kel

1990-01-01

Arrays of systolic serial-parallel multiplier elements are proposed as an alternative to conventional SIMD mesh serial adder arrays for applications that are multiplication intensive and require few stored operands. The design and operation of a number of multiplier and array configurations featuring locality of connection, modularity, and regularity of structure are discussed. A design methodology combining top-down and bottom-up techniques is described to facilitate development of custom high-performance CMOS multiplier element arrays as well as rapid synthesis of simulation models and semicustom prototype CMOS components. Finally, a differential version of NORA dynamic circuits requiring a single-phase uncomplemented clock signal introduced for this application.

Synthesis of amino acids in earth orbit: proposal

NASA Astrophysics Data System (ADS)

Kobayashi, Kensei; Kaneko, Takeo; Kouchi, Akira; Hashimoto, Hirofumi; Saito, Takeshi; Yamashita, Masamichi

1999-01-01

Organic compounds in comets are of interest since they could be the sources of the terrestrial biosphere. They are supposed to be formed in an interstellar dust (ISD) environment. We performed laboratory simulation of the formation of bioorganic compounds in ISD environments: Amino acid precursors were detected in the products after ice mixture of CO (or CH4, CH3OH), NH3 and H2O. The present results should be confirmed in actual space conditions, such as in an exposed facility of JEM. We are designing an apparatus of such exobiology experiments in earth orbit (EEEO). Basic designs proposed for EEEO, remaining problems, and expected outcome will be discussed.

Design, Specification, and Synthesis of Aircraft Electric Power Systems Control Logic

NASA Astrophysics Data System (ADS)

Xu, Huan

Cyber-physical systems integrate computation, networking, and physical processes. Substantial research challenges exist in the design and verification of such large-scale, distributed sensing, actuation, and control systems. Rapidly improving technology and recent advances in control theory, networked systems, and computer science give us the opportunity to drastically improve our approach to integrated flow of information and cooperative behavior. Current systems rely on text-based specifications and manual design. Using new technology advances, we can create easier, more efficient, and cheaper ways of developing these control systems. This thesis will focus on design considerations for system topologies, ways to formally and automatically specify requirements, and methods to synthesize reactive control protocols, all within the context of an aircraft electric power system as a representative application area. This thesis consists of three complementary parts: synthesis, specification, and design. The first section focuses on the synthesis of central and distributed reactive controllers for an aircraft elec- tric power system. This approach incorporates methodologies from computer science and control. The resulting controllers are correct by construction with respect to system requirements, which are formulated using the specification language of linear temporal logic (LTL). The second section addresses how to formally specify requirements and introduces a domain-specific language for electric power systems. A software tool automatically converts high-level requirements into LTL and synthesizes a controller. The final sections focus on design space exploration. A design methodology is proposed that uses mixed-integer linear programming to obtain candidate topologies, which are then used to synthesize controllers. The discrete-time control logic is then verified in real-time by two methods: hardware and simulation. Finally, the problem of partial observability and dynamic state estimation is explored. Given a set placement of sensors on an electric power system, measurements from these sensors can be used in conjunction with control logic to infer the state of the system.

Modal control theory and application to aircraft lateral handling qualities design

NASA Technical Reports Server (NTRS)

Srinathkumar, S.

1978-01-01

A multivariable synthesis procedure based on eigenvalue/eigenvector assignment is reviewed and is employed to develop a systematic design procedure to meet the lateral handling qualities design objectives of a fighter aircraft over a wide range of flight conditions. The closed loop modal characterization developed provides significant insight into the design process and plays a pivotal role in the synthesis of robust feedback systems. The simplicity of the synthesis algorithm yields an efficient computer aided interactive design tool for flight control system synthesis.

Sulfur-Doped Zinc Oxide (ZnO) Nanostars: Synthesis and Simulation of Growth Mechanism

DTIC Science & Technology

2011-10-01

Zinc Oxide ( ZnO ) Nanostars: Synthesis and Simulation of Growth Mechanism Jinhyun Cho1, Qiubao Lin2,3, Sungwoo...characterization, and ab initio simulations of star-shaped hexagonal zinc oxide ( ZnO ) nanowires. The ZnO nanostructures were synthesized by a low...Introduction Zinc oxide ( ZnO ) is a wide bandgap (3.37 eV), Ⅱ–Ⅵ semiconductor of great interest for optoelectronic applications [1–3]. Its

Faster Evolution of More Multifunctional Logic Circuits

NASA Technical Reports Server (NTRS)

Stoica, Adrian; Zebulum, Ricardo

2005-01-01

A modification in a method of automated evolutionary synthesis of voltage-controlled multifunctional logic circuits makes it possible to synthesize more circuits in less time. Prior to the modification, the computations for synthesizing a four-function logic circuit by this method took about 10 hours. Using the method as modified, it is possible to synthesize a six-function circuit in less than half an hour. The concepts of automated evolutionary synthesis and voltage-controlled multifunctional logic circuits were described in a number of prior NASA Tech Briefs articles. To recapitulate: A circuit is designed to perform one of several different logic functions, depending on the value of an applied control voltage. The circuit design is synthesized following an automated evolutionary approach that is so named because it is modeled partly after the repetitive trial-and-error process of biological evolution. In this process, random populations of integer strings that encode electronic circuits play a role analogous to that of chromosomes. An evolved circuit is tested by computational simulation (prior to testing in real hardware to verify a final design). Then, in a fitness-evaluation step, responses of the circuit are compared with specifications of target responses and circuits are ranked according to how close they come to satisfying specifications. The results of the evaluation provide guidance for refining designs through further iteration.

An Internet Protocol-Based Software System for Real-Time, Closed-Loop, Multi-Spacecraft Mission Simulation Applications

NASA Technical Reports Server (NTRS)

Davis, George; Cary, Everett; Higinbotham, John; Burns, Richard; Hogie, Keith; Hallahan, Francis

2003-01-01

The paper will provide an overview of the web-based distributed simulation software system developed for end-to-end, multi-spacecraft mission design, analysis, and test at the NASA Goddard Space Flight Center (GSFC). This software system was developed for an internal research and development (IR&D) activity at GSFC called the Distributed Space Systems (DSS) Distributed Synthesis Environment (DSE). The long-term goal of the DSS-DSE is to integrate existing GSFC stand-alone test beds, models, and simulation systems to create a "hands on", end-to-end simulation environment for mission design, trade studies and simulations. The short-term goal of the DSE was therefore to develop the system architecture, and then to prototype the core software simulation capability based on a distributed computing approach, with demonstrations of some key capabilities by the end of Fiscal Year 2002 (FY02). To achieve the DSS-DSE IR&D objective, the team adopted a reference model and mission upon which FY02 capabilities were developed. The software was prototyped according to the reference model, and demonstrations were conducted for the reference mission to validate interfaces, concepts, etc. The reference model, illustrated in Fig. 1, included both space and ground elements, with functional capabilities such as spacecraft dynamics and control, science data collection, space-to-space and space-to-ground communications, mission operations, science operations, and data processing, archival and distribution addressed.

A Distributed Simulation Software System for Multi-Spacecraft Missions

NASA Technical Reports Server (NTRS)

Burns, Richard; Davis, George; Cary, Everett

2003-01-01

The paper will provide an overview of the web-based distributed simulation software system developed for end-to-end, multi-spacecraft mission design, analysis, and test at the NASA Goddard Space Flight Center (GSFC). This software system was developed for an internal research and development (IR&D) activity at GSFC called the Distributed Space Systems (DSS) Distributed Synthesis Environment (DSE). The long-term goal of the DSS-DSE is to integrate existing GSFC stand-alone test beds, models, and simulation systems to create a "hands on", end-to-end simulation environment for mission design, trade studies and simulations. The short-term goal of the DSE was therefore to develop the system architecture, and then to prototype the core software simulation capability based on a distributed computing approach, with demonstrations of some key capabilities by the end of Fiscal Year 2002 (FY02). To achieve the DSS-DSE IR&D objective, the team adopted a reference model and mission upon which FY02 capabilities were developed. The software was prototyped according to the reference model, and demonstrations were conducted for the reference mission to validate interfaces, concepts, etc. The reference model, illustrated in Fig. 1, included both space and ground elements, with functional capabilities such as spacecraft dynamics and control, science data collection, space-to-space and space-to-ground communications, mission operations, science operations, and data processing, archival and distribution addressed.

Type synthesis and preliminary design of devices supporting lower limb's rehabilitation.

PubMed

Olinski, Michał; Lewandowski, Bogusz; Gronowicz, Antoni

2015-01-01

Based on the analysis of existing solutions, biomechanics of human lower limbs and anticipated applications, results of con- siderations concerning the necessary number of degrees of freedom for the designed device supporting rehabilitation of lower extremities are presented. An analysis was carried out in order to determine the innovative kinematic structure of the device, ensuring sufficient mobility and functionality while minimizing the number of degrees of freedom. With the aid of appropriate formalised meth- ods, for instance, type synthesis, a complete variety of solutions for leg joints were obtained in the form of basic and kinematic schemes, having the potential to find application in devices supporting lower limb rehabilitation. A 3D model of ankle joint module was built in Autodesk Inventor System, then imported to Adams and assembled into a moving numerical model of a mechanism. Several conducted simulations resulted in finding the required maximum stroke of the cylinders. A comparison of the angular ranges of ankle joint and similar devices with the ones achieved by the designed device indicated a sufficient reserve allowing not only movements typical of gait, but approximately achieving the passive range of motion for the ankle joint.

Molecular design and property prediction of high density polynitro[3.3.3]-propellane-derivatized frameworks as potential high explosives.

PubMed

Zhang, Qinghua; Zhang, Jiaheng; Qi, Xiujuan; Shreeve, Jean'ne M

2014-11-13

Research in energetic materials is now heavily focused on the design and synthesis of novel insensitive high explosives (IHEs) for specialized applications. As an effective and time-saving tool for screening potential explosive structures, computer simulation has been widely used for the prediction of detonation properties of energetic molecules with relatively high precision. In this work, a series of new polynitrotetraoxopentaaza[3.3.3]-propellane molecules with tricyclic structures were designed. Their properties as potential high explosives including density, heats of formation, detonation properties, impact sensitivity, etc., have been extensively evaluated using volume-based thermodynamic calculations and density functional theory (DFT).These new energetic molecules exhibit high densities of >1.82 g cm(-3), in which 1 gives the highest density of 2.04 g cm(-3). Moreover, most new materials show good detonation properties and acceptable impact sensitivities, in which 5 displays much higher detonation velocity (9482 m s(-1)) and pressure (43.9 GPa) than HMX and has a h50 value of 11 cm. These results are expected to facilitate the experimental synthesis of new-generation nitramine-based high explosives.

Comparative simulation study of chemical synthesis of functional DADNE material.

PubMed

Liu, Min Hsien; Liu, Chuan Wen

2017-01-01

Amorphous molecular simulation to model the reaction species in the synthesis of chemically inert and energetic 1,1-diamino-2,2-dinitroethene (DADNE) explosive material was performed in this work. Nitromethane was selected as the starting reactant to undergo halogenation, nitration, deprotonation, intermolecular condensation, and dehydration to produce the target DADNE product. The Materials Studio (MS) forcite program allowed fast energy calculations and reliable geometric optimization of all aqueous molecular reaction systems (0.1-0.5 M) at 283 K and 298 K. The MS forcite-computed and Gaussian polarizable continuum model (PCM)-computed results were analyzed and compared in order to explore feasible reaction pathways under suitable conditions for the synthesis of DADNE. Through theoretical simulation, the findings revealed that synthesis was possible, and a total energy barrier of 449.6 kJ mol -1 needed to be overcome in order to carry out the reaction according to MS calculation of the energy barriers at each stage at 283 K, as shown by the reaction profiles. Local analysis of intermolecular interaction, together with calculation of the stabilization energy of each reaction system, provided information that can be used as a reference regarding molecular integrated stability. Graphical Abstract Materials Studio software has been suggested for the computation and simulation of DADNE synthesis.

A study of deoxyribonucleotide metabolism and its relation to DNA synthesis. Supercomputer simulation and model-system analysis.

PubMed

Heinmets, F; Leary, R H

1991-06-01

A model system (1) was established to analyze purine and pyrimidine metabolism. This system has been expanded to include macrosimulation of DNA synthesis and the study of its regulation by terminal deoxynucleoside triphosphates (dNTPs) via a complex set of interactions. Computer experiments reveal that our model exhibits adequate and reasonable sensitivity in terms of dNTP pool levels and rates of DNA synthesis when inputs to the system are varied. These simulation experiments reveal that in order to achieve maximum DNA synthesis (in terms of purine metabolism), a proper balance is required in guanine and adenine input into this metabolic system. Excessive inputs will become inhibitory to DNA synthesis. In addition, studies are carried out on rates of DNA synthesis when various parameters are changed quantitatively. The current system is formulated by 110 differential equations.

Proceedings of a Conference on a Comprehensive Technical Review of Human Factors Technology in the Design-for-Maintainers Held at Pensacola Beach, Florida on 9-11 March 1982,

DTIC Science & Technology

1982-03-11

Lowery, 1969; Crawford & Altman, 1972; Rigney, Cremer , & Towne, 1965; Topmiller, 1964; see Hsu & Theisen, these Proceedings for a review) suggest...Factors Technical Memorandum No. 6021-1982-05). Warminster, PA: Naval Air Development Center, August 1982. Rigney, J. W., Cremer , R. H., & Towne, D. M. The...changes in the micro-elements. Several projects have employed time-synthesis simulation with generally positive results (Rigney, Cremer , Towne, & Mason

Virtual odors to transmit emotions in virtual agents

NASA Astrophysics Data System (ADS)

Delgado-Mata, Carlos; Aylett, Ruth

2003-04-01

In this paper we describe an emotional-behvioral architecture. The emotional engine sits at a higher layer than the behavior system, and can alter behavior patterns, the engine is designed to simulate Emotionally-Intelligent Agents in a Virtual Environment, where each agent senses its own emotions, and other creature emotions through a virtual smell sensor; senses obstacles and other moving creatures in the environment and reacts to them. The architecture consists of an emotion engine, behavior synthesis system, a motor layer and a library of sensors.

Inertial focusing of microparticles and its limitations

NASA Astrophysics Data System (ADS)

Cruz, FJ; Hooshmand Zadeh, S.; Wu, ZG; Hjort, K.

2016-10-01

Microfluidic devices are useful tools for healthcare, biological and chemical analysis and materials synthesis amongst fields that can benefit from the unique physics of these systems. In this paper we studied inertial focusing as a tool for hydrodynamic sorting of particles by size. Theory and experimental results are provided as a background for a discussion on how to extend the technology to submicron particles. Different geometries and dimensions of microchannels were designed and simulation data was compared to the experimental results.

Aerospace Toolbox--a flight vehicle design, analysis, simulation, and software development environment II: an in-depth overview

NASA Astrophysics Data System (ADS)

Christian, Paul M.

2002-07-01

This paper presents a demonstrated approach to significantly reduce the cost and schedule of non real-time modeling and simulation, real-time HWIL simulation, and embedded code development. The tool and the methodology presented capitalize on a paradigm that has become a standard operating procedure in the automotive industry. The tool described is known as the Aerospace Toolbox, and it is based on the MathWorks Matlab/Simulink framework, which is a COTS application. Extrapolation of automotive industry data and initial applications in the aerospace industry show that the use of the Aerospace Toolbox can make significant contributions in the quest by NASA and other government agencies to meet aggressive cost reduction goals in development programs. The part I of this paper provided a detailed description of the GUI based Aerospace Toolbox and how it is used in every step of a development program; from quick prototyping of concept developments that leverage built-in point of departure simulations through to detailed design, analysis, and testing. Some of the attributes addressed included its versatility in modeling 3 to 6 degrees of freedom, its library of flight test validated library of models (including physics, environments, hardware, and error sources), and its built-in Monte Carlo capability. Other topics that were covered in part I included flight vehicle models and algorithms, and the covariance analysis package, Navigation System Covariance Analysis Tools (NavSCAT). Part II of this series will cover a more in-depth look at the analysis and simulation capability and provide an update on the toolbox enhancements. It will also address how the Toolbox can be used as a design hub for Internet based collaborative engineering tools such as NASA's Intelligent Synthesis Environment (ISE) and Lockheed Martin's Interactive Missile Design Environment (IMD).

Computerized Design Synthesis (CDS), A database-driven multidisciplinary design tool

NASA Technical Reports Server (NTRS)

Anderson, D. M.; Bolukbasi, A. O.

1989-01-01

The Computerized Design Synthesis (CDS) system under development at McDonnell Douglas Helicopter Company (MDHC) is targeted to make revolutionary improvements in both response time and resource efficiency in the conceptual and preliminary design of rotorcraft systems. It makes the accumulated design database and supporting technology analysis results readily available to designers and analysts of technology, systems, and production, and makes powerful design synthesis software available in a user friendly format.

A Web Centric Architecture for Deploying Multi-Disciplinary Engineering Design Processes

NASA Technical Reports Server (NTRS)

Woyak, Scott; Kim, Hongman; Mullins, James; Sobieszczanski-Sobieski, Jaroslaw

2004-01-01

There are continuous needs for engineering organizations to improve their design process. Current state of the art techniques use computational simulations to predict design performance, and optimize it through advanced design methods. These tools have been used mostly by individual engineers. This paper presents an architecture for achieving results at an organization level beyond individual level. The next set of gains in process improvement will come from improving the effective use of computers and software within a whole organization, not just for an individual. The architecture takes advantage of state of the art capabilities to produce a Web based system to carry engineering design into the future. To illustrate deployment of the architecture, a case study for implementing advanced multidisciplinary design optimization processes such as Bi-Level Integrated System Synthesis is discussed. Another example for rolling-out a design process for Design for Six Sigma is also described. Each example explains how an organization can effectively infuse engineering practice with new design methods and retain the knowledge over time.

Computational materials chemistry for carbon capture using porous materials

NASA Astrophysics Data System (ADS)

Sharma, Abhishek; Huang, Runhong; Malani, Ateeque; Babarao, Ravichandar

2017-11-01

Control over carbon dioxide (CO2) release is extremely important to decrease its hazardous effects on the environment such as global warming, ocean acidification, etc. For CO2 capture and storage at industrial point sources, nanoporous materials offer an energetically viable and economically feasible approach compared to chemisorption in amines. There is a growing need to design and synthesize new nanoporous materials with enhanced capability for carbon capture. Computational materials chemistry offers tools to screen and design cost-effective materials for CO2 separation and storage, and it is less time consuming compared to trial and error experimental synthesis. It also provides a guide to synthesize new materials with better properties for real world applications. In this review, we briefly highlight the various carbon capture technologies and the need of computational materials design for carbon capture. This review discusses the commonly used computational chemistry-based simulation methods for structural characterization and prediction of thermodynamic properties of adsorbed gases in porous materials. Finally, simulation studies reported on various potential porous materials, such as zeolites, porous carbon, metal organic frameworks (MOFs) and covalent organic frameworks (COFs), for CO2 capture are discussed.

Decentralized control experiments on NASA's flexible grid

NASA Technical Reports Server (NTRS)

Ozguner, U.; Yurkowich, S.; Martin, J., III; Al-Abbass, F.

1986-01-01

Methods arising from the area of decentralized control are emerging for analysis and control synthesis for large flexible structures. In this paper the control strategy involves a decentralized model reference adaptive approach using a variable structure control. Local models are formulated based on desired damping and response time in a model-following scheme for various modal configurations. Variable structure controllers are then designed employing co-located angular rate and position feedback. In this scheme local control forces the system to move on a local sliding mode in some local error space. An important feature of this approach is that the local subsystem is made insensitive to dynamical interactions with other subsystems once the sliding surface is reached. Experiments based on the above have been performed for NASA's flexible grid experimental apparatus. The grid is designed to admit appreciable low-frequency structural dynamics, and allows for implementation of distributed computing components, inertial sensors, and actuation devices. A finite-element analysis of the grid provides the model for control system design and simulation; results of several simulations are reported on here, and a discussion of application experiments on the apparatus is presented.

Core Competencies or a Competent Core? A Scoping Review and Realist Synthesis of Invasive Bedside Procedural Skills Training in Internal Medicine.

PubMed

Brydges, Ryan; Stroud, Lynfa; Wong, Brian M; Holmboe, Eric S; Imrie, Kevin; Hatala, Rose

2017-11-01

Invasive bedside procedures are core competencies for internal medicine, yet no formal training guidelines exist. The authors conducted a scoping review and realist synthesis to characterize current training for lumbar puncture, arthrocentesis, paracentesis, thoracentesis, and central venous catheterization. They aimed to collate how educators justify using specific interventions, establish which interventions have the best evidence, and offer directions for future research and training. The authors systematically searched Medline, Embase, the Cochrane Library, and ERIC through April 2015. Studies were screened in three phases; all reviews were performed independently and in duplicate. The authors extracted information on learner and patient demographics, study design and methodological quality, and details of training interventions and measured outcomes. A three-step realist synthesis was performed to synthesize findings on each study's context, mechanism, and outcome, and to identify a foundational training model. From an initial 6,671 studies, 149 studies were further reduced to 67 (45%) reporting sufficient information for realist synthesis. Analysis yielded four types of procedural skills training interventions. There was relative consistency across contexts and significant differences in mechanisms and outcomes across the four intervention types. The medical procedural service was identified as an adaptable foundational training model. The observed heterogeneity in procedural skills training implies that programs are not consistently developing residents who are competent in core procedures. The findings suggest that researchers in education and quality improvement will need to collaborate to design training that develops a "competent core" of proceduralists using simulation and clinical rotations.

Biological materials by design.

PubMed

Qin, Zhao; Dimas, Leon; Adler, David; Bratzel, Graham; Buehler, Markus J

2014-02-19

In this topical review we discuss recent advances in the use of physical insight into the way biological materials function, to design novel engineered materials 'from scratch', or from the level of fundamental building blocks upwards and by using computational multiscale methods that link chemistry to material function. We present studies that connect advances in multiscale hierarchical material structuring with material synthesis and testing, review case studies of wood and other biological materials, and illustrate how engineered fiber composites and bulk materials are designed, modeled, and then synthesized and tested experimentally. The integration of experiment and simulation in multiscale design opens new avenues to explore the physics of materials from a fundamental perspective, and using complementary strengths from models and empirical techniques. Recent developments in this field illustrate a new paradigm by which complex material functionality is achieved through hierarchical structuring in spite of simple material constituents.

Design of c-band telecontrol transmitter local oscillator for UAV data link

NASA Astrophysics Data System (ADS)

Cao, Hui; Qu, Yu; Song, Zuxun

2018-01-01

A C-band local oscillator of an Unmanned Aerial Vehicle (UAV) data link radio frequency (RF) transmitter unit with high-stability, high-precision and lightweight was designed in this paper. Based on the highly integrated broadband phase-locked loop (PLL) chip HMC834LP6GE, the system performed fractional-N control by internal modules programming to achieve low phase noise and small frequency resolution. The simulation and testing methods were combined to optimize and select the loop filter parameters to ensure the high precision and stability of the frequency synthesis output. The theoretical analysis and engineering prototype measurement results showed that the local oscillator had stable output frequency, accurate frequency step, high spurious suppression and low phase noise, and met the design requirements. The proposed design idea and research method have theoretical guiding significance for engineering practice.

Perspective: Toward "synthesis by design": Exploring atomic correlations during inorganic materials synthesis

NASA Astrophysics Data System (ADS)

Soderholm, L.; Mitchell, J. F.

2016-05-01

Synthesis of inorganic extended solids is a critical starting point from which real-world functional materials and their consequent technologies originate. However, unlike the rich mechanistic foundation of organic synthesis, with its underlying rules of assembly (e.g., functional groups and their reactivities), the synthesis of inorganic materials lacks an underpinning of such robust organizing principles. In the latter case, any such rules must account for the diversity of chemical species and bonding motifs inherent to inorganic materials and the potential impact of mass transport on kinetics, among other considerations. Without such assembly rules, there is less understanding, less predictive power, and ultimately less control of properties. Despite such hurdles, developing a mechanistic understanding for synthesis of inorganic extended solids would dramatically impact the range of new material discoveries and resulting new functionalities, warranting a broad call to explore what is possible. Here we discuss our recent approaches toward a mechanistic framework for the synthesis of bulk inorganic extended solids, in which either embryonic atomic correlations or fully developed phases in solutions or melts can be identified and tracked during product selection and crystallization. The approach hinges on the application of high-energy x-rays, with their penetrating power and large Q-range, to explore reaction pathways in situ. We illustrate this process using two examples: directed assembly of Zr clusters in aqueous solution and total phase awareness during crystallization from K-Cu-S melts. These examples provide a glimpse of what we see as a larger vision, in which large scale simulations, data-driven science, and in situ studies of atomic correlations combine to accelerate materials discovery and synthesis, based on the assembly of well-defined, prenucleated atomic correlations.

Processors for wavelet analysis and synthesis: NIFS and TI-C80 MVP

NASA Astrophysics Data System (ADS)

Brooks, Geoffrey W.

1996-03-01

Two processors are considered for image quadrature mirror filtering (QMF). The neuromorphic infrared focal-plane sensor (NIFS) is an existing prototype analog processor offering high speed spatio-temporal Gaussian filtering, which could be used for the QMF low- pass function, and difference of Gaussian filtering, which could be used for the QMF high- pass function. Although not designed specifically for wavelet analysis, the biologically- inspired system accomplishes the most computationally intensive part of QMF processing. The Texas Instruments (TI) TMS320C80 Multimedia Video Processor (MVP) is a 32-bit RISC master processor with four advanced digital signal processors (DSPs) on a single chip. Algorithm partitioning, memory management and other issues are considered for optimal performance. This paper presents these considerations with simulated results leading to processor implementation of high-speed QMF analysis and synthesis.

Design of coupled mace filters for optical pattern recognition using practical spatial light modulators

NASA Technical Reports Server (NTRS)

Rajan, P. K.; Khan, Ajmal

1993-01-01

Spatial light modulators (SLMs) are being used in correlation-based optical pattern recognition systems to implement the Fourier domain filters. Currently available SLMs have certain limitations with respect to the realizability of these filters. Therefore, it is necessary to incorporate the SLM constraints in the design of the filters. The design of a SLM-constrained minimum average correlation energy (SLM-MACE) filter using the simulated annealing-based optimization technique was investigated. The SLM-MACE filter was synthesized for three different types of constraints. The performance of the filter was evaluated in terms of its recognition (discrimination) capabilities using computer simulations. The correlation plane characteristics of the SLM-MACE filter were found to be reasonably good. The SLM-MACE filter yielded far better results than the analytical MACE filter implemented on practical SLMs using the constrained magnitude technique. Further, the filter performance was evaluated in the presence of noise in the input test images. This work demonstrated the need to include the SLM constraints in the filter design. Finally, a method is suggested to reduce the computation time required for the synthesis of the SLM-MACE filter.

Modelling and simulation of passive Lab-on-a-Chip (LoC) based micromixer for clinical application

NASA Astrophysics Data System (ADS)

Saikat, Chakraborty; Sharath, M.; Srujana, M.; Narayan, K.; Pattnaik, Prasant Kumar

2016-03-01

In biomedical application, micromixer is an important component because of many processes requires rapid and efficient mixing. At micro scale, the flow is Laminar due to small channel size which enables controlled rapid mixing. The reduction in analysis time along with high throughput can be achieved with the help of rapid mixing. In LoC application, micromixer is used for mixing of fluids especially for the devices which requires efficient mixing. Micromixer of this type of microfluidic devices with a rapid mixing is useful in application such as DNA/RNA synthesis, drug delivery system & biological agent detection. In this work, we design and simulate a microfluidic based passive rapid micromixer for lab-on-a-chip application.

Flexible Generation of Kalman Filter Code

NASA Technical Reports Server (NTRS)

Richardson, Julian; Wilson, Edward

2006-01-01

Domain-specific program synthesis can automatically generate high quality code in complex domains from succinct specifications, but the range of programs which can be generated by a given synthesis system is typically narrow. Obtaining code which falls outside this narrow scope necessitates either 1) extension of the code generator, which is usually very expensive, or 2) manual modification of the generated code, which is often difficult and which must be redone whenever changes are made to the program specification. In this paper, we describe adaptations and extensions of the AUTOFILTER Kalman filter synthesis system which greatly extend the range of programs which can be generated. Users augment the input specification with a specification of code fragments and how those fragments should interleave with or replace parts of the synthesized filter. This allows users to generate a much wider range of programs without their needing to modify the synthesis system or edit generated code. We demonstrate the usefulness of the approach by applying it to the synthesis of a complex state estimator which combines code from several Kalman filters with user-specified code. The work described in this paper allows the complex design decisions necessary for real-world applications to be reflected in the synthesized code. When executed on simulated input data, the generated state estimator was found to produce comparable estimates to those produced by a handcoded estimator

Pre-vitamin D effective ultraviolet transmission through clothing during simulated wear.

PubMed

Parisi, A V; Wilson, C A

2005-12-01

Clothing is an important protective layer used to reduce ultraviolet (UV) exposures to the skin surface. However, not all UV exposure is linked to detrimental health effects with some exposure to UVB wavelengths below 316 nm required for the synthesis of pre-vitamin D(3). The aim of the current research was to investigate the effect of fabric type, color, fit, and wetness on the transmission of pre-vitamin D(3) effective UV through garments during simulated wear, in a high UV exposure environment. Dosimeters fabricated from polysulfone film were positioned at eight selected body sites on the skin surface and clothing surface of identically designed, loose and fitted, black and white T-shirts made up in two knitted fabric types and tested when both dry and when drying after initial wetting (n=3 replicates). The T-shirts were placed on manikins set to simulate humans in the sun between 09:30 and 12:30 Eastern Standard Time during the Southern Hemisphere summer period. The post-exposure absorbance was measured and the dosimeters were calibrated for biologically effective UV for pre-vitamin D(3) synthesis with a UV spectroradiometer. The effect of fit, fabric type, color, and wetness on pre-vitamin D(3) effective UV transmission during simulated wear was assessed. Irradiances varied among body sites with the highest erythemal exposures to a horizontal plane over the 3 h period reaching approximately 14.5 minimal erythema dose (MED) while the highest exposure under the garment was 0.22 MED which may not be above the threshold for pre-vitamin D(3) synthesis for the time period investigated. Fabric and fit were the main variables affecting transmission of pre-vitamin D(3) effective UV. Some interactions were identified between the fabric color and wetness and between fabric type and color; however, while significantly modifying transmission these effects were small. Transmission of pre-vitamin D(3) effective UV occurred through the high UPF knitted fabrics investigated. However, the length of exposure will influence whether the irradiances are sufficient to be above the threshold for pre-vitamin D(3) synthesis. The main effect on transmission of pre-vitamin D(3) effective UV was the fit of the T-shirt and its fabric type (probably structure) rather than color or degree of wetness.

Optimizing doped libraries by using genetic algorithms

NASA Astrophysics Data System (ADS)

Tomandl, Dirk; Schober, Andreas; Schwienhorst, Andreas

1997-01-01

The insertion of random sequences into protein-encoding genes in combination with biologicalselection techniques has become a valuable tool in the design of molecules that have usefuland possibly novel properties. By employing highly effective screening protocols, a functionaland unique structure that had not been anticipated can be distinguished among a hugecollection of inactive molecules that together represent all possible amino acid combinations.This technique is severely limited by its restriction to a library of manageable size. Oneapproach for limiting the size of a mutant library relies on `doping schemes', where subsetsof amino acids are generated that reveal only certain combinations of amino acids in a proteinsequence. Three mononucleotide mixtures for each codon concerned must be designed, suchthat the resulting codons that are assembled during chemical gene synthesis represent thedesired amino acid mixture on the level of the translated protein. In this paper we present adoping algorithm that `reverse translates' a desired mixture of certain amino acids into threemixtures of mononucleotides. The algorithm is designed to optimally bias these mixturestowards the codons of choice. This approach combines a genetic algorithm with localoptimization strategies based on the downhill simplex method. Disparate relativerepresentations of all amino acids (and stop codons) within a target set can be generated.Optional weighing factors are employed to emphasize the frequencies of certain amino acidsand their codon usage, and to compensate for reaction rates of different mononucleotidebuilding blocks (synthons) during chemical DNA synthesis. The effect of statistical errors thataccompany an experimental realization of calculated nucleotide mixtures on the generatedmixtures of amino acids is simulated. These simulations show that the robustness of differentoptima with respect to small deviations from calculated values depends on their concomitantfitness. Furthermore, the calculations probe the fitness landscape locally and allow apreliminary assessment of its structure.

Free Vibration Analysis of a Spinning Flexible DISK-SPINDLE System Supported by Ball Bearing and Flexible Shaft Using the Finite Element Method and Substructure Synthesis

NASA Astrophysics Data System (ADS)

JANG, G. H.; LEE, S. H.; JUNG, M. S.

2002-03-01

Free vibration of a spinning flexible disk-spindle system supported by ball bearing and flexible shaft is analyzed by using Hamilton's principle, FEM and substructure synthesis. The spinning disk is described by using the Kirchhoff plate theory and von Karman non-linear strain. The rotating spindle and stationary shaft are modelled by Rayleigh beam and Euler beam respectively. Using Hamilton's principle and including the rigid body translation and tilting motion, partial differential equations of motion of the spinning flexible disk and spindle are derived consistently to satisfy the geometric compatibility in the internal boundary between substructures. FEM is used to discretize the derived governing equations, and substructure synthesis is introduced to assemble each component of the disk-spindle-bearing-shaft system. The developed method is applied to the spindle system of a computer hard disk drive with three disks, and modal testing is performed to verify the simulation results. The simulation result agrees very well with the experimental one. This research investigates critical design parameters in an HDD spindle system, i.e., the non-linearity of a spinning disk and the flexibility and boundary condition of a stationary shaft, to predict the free vibration characteristics accurately. The proposed method may be effectively applied to predict the vibration characteristics of a spinning flexible disk-spindle system supported by ball bearing and flexible shaft in the various forms of computer storage device, i.e., FDD, CD, HDD and DVD.

Aircraft noise synthesis system

NASA Technical Reports Server (NTRS)

Mccurdy, David A.; Grandle, Robert E.

1987-01-01

A second-generation Aircraft Noise Synthesis System has been developed to provide test stimuli for studies of community annoyance to aircraft flyover noise. The computer-based system generates realistic, time-varying, audio simulations of aircraft flyover noise at a specified observer location on the ground. The synthesis takes into account the time-varying aircraft position relative to the observer; specified reference spectra consisting of broadband, narrowband, and pure-tone components; directivity patterns; Doppler shift; atmospheric effects; and ground effects. These parameters can be specified and controlled in such a way as to generate stimuli in which certain noise characteristics, such as duration or tonal content, are independently varied, while the remaining characteristics, such as broadband content, are held constant. The system can also generate simulations of the predicted noise characteristics of future aircraft. A description of the synthesis system and a discussion of the algorithms and methods used to generate the simulations are provided. An appendix describing the input data and providing user instructions is also included.

Performance comparison of attitude determination, attitude estimation, and nonlinear observers algorithms

NASA Astrophysics Data System (ADS)

MOHAMMED, M. A. SI; BOUSSADIA, H.; BELLAR, A.; ADNANE, A.

2017-01-01

This paper presents a brief synthesis and useful performance analysis of different attitude filtering algorithms (attitude determination algorithms, attitude estimation algorithms, and nonlinear observers) applied to Low Earth Orbit Satellite in terms of accuracy, convergence time, amount of memory, and computation time. This latter is calculated in two ways, using a personal computer and also using On-board computer 750 (OBC 750) that is being used in many SSTL Earth observation missions. The use of this comparative study could be an aided design tool to the designer to choose from an attitude determination or attitude estimation or attitude observer algorithms. The simulation results clearly indicate that the nonlinear Observer is the more logical choice.

Applications of large-eddy simulation: Synthesis of neutral boundary layer models

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

Ohmstede, W.D.

The object of this report is to describe progress made towards the application of large-eddy simulation (LES), in particular, to the study of the neutral boundary layer (NBL). The broad purpose of the study is to provide support to the LES project currently underway at LLNL. The specific purpose of this study is to lay the groundwork for the simulation of the SBL through the establishment and implementation of model criteria for the simulation of the NBL. The idealistic NBL is never observed in the atmosphere and therefore has little practical significance. However, it is of considerable theoretical interest formore » several reasons. The report discusses the concept of Rossby-number similarity theory as it applies to the NBL. A particular implementation of the concept is described. Then, the results from prior simulations of the NBL are summarized. Model design criteria for two versions of the Brost LES (BLES) model are discussed. The general guidelines for the development of Version 1 of the Brost model (BV1) were to implement the model with a minimum of modifications which would alter the design criteria as established by Brost. Two major modifications of BLES incorporated into BV1 pertain to the initialization/parameterization of the model and the generalization of the boundary conditions at the air/earth interface. 18 refs., 4 figs.« less

Adaptive Control Model Reveals Systematic Feedback and Key Molecules in Metabolic Pathway Regulation

PubMed Central

Moffitt, Richard A.; Merrill, Alfred H.; Wang, May D.

2011-01-01

Abstract Robust behavior in metabolic pathways resembles stabilized performance in systems under autonomous control. This suggests we can apply control theory to study existing regulation in these cellular networks. Here, we use model-reference adaptive control (MRAC) to investigate the dynamics of de novo sphingolipid synthesis regulation in a combined theoretical and experimental case study. The effects of serine palmitoyltransferase over-expression on this pathway are studied in vitro using human embryonic kidney cells. We report two key results from comparing numerical simulations with observed data. First, MRAC simulations of pathway dynamics are comparable to simulations from a standard model using mass action kinetics. The root-sum-square (RSS) between data and simulations in both cases differ by less than 5%. Second, MRAC simulations suggest systematic pathway regulation in terms of adaptive feedback from individual molecules. In response to increased metabolite levels available for de novo sphingolipid synthesis, feedback from molecules along the main artery of the pathway is regulated more frequently and with greater amplitude than from other molecules along the branches. These biological insights are consistent with current knowledge while being new that they may guide future research in sphingolipid biology. In summary, we report a novel approach to study regulation in cellular networks by applying control theory in the context of robust metabolic pathways. We do this to uncover potential insight into the dynamics of regulation and the reverse engineering of cellular networks for systems biology. This new modeling approach and the implementation routines designed for this case study may be extended to other systems. Supplementary Material is available at www.liebertonline.com/cmb. PMID:21314456

Optimal control of nutrition restricted dynamics model of Microalgae biomass growth model

NASA Astrophysics Data System (ADS)

Ratianingsih, R.; Azim; Nacong, N.; Resnawati; Mardlijah; Widodo, B.

2017-12-01

The biomass of the microalgae is very potential to be proposed as an alternative renewable energy resources because it could be extracted into lipid. Afterward, the lipid could be processed to get the biodiesel or bioethanol. The extraction of the biomass on lipid synthesis process is very important to be studied because the process just gives some amount of lipid. A mathematical model of restricted microalgae biomass growth just gives 1/3 proportion of lipid with respect to the biomass in the synthesis process. An optimal control is designed to raise the ratio between the number of lipid formation and the microalgae biomass to be used in synthesis process. The minimum/ Pontryagin maximum principle is used to get the optimal lipid production. The simulation shows that the optimal lipid formation could be reach by simultaneously controlling the carbon dioxide, in the respiration and photosynthesis the process, and intake nutrition rates of liquid waste and urea substrate. The production of controlled microalgae lipid could be increase 6.5 times comparing to the uncontrolled one.

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions.

PubMed

Asimow, Paul D; Lin, Chaney; Bindi, Luca; Ma, Chi; Tschauner, Oliver; Hollister, Lincoln S; Steinhardt, Paul J

2016-06-28

We designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg0.75Fe(2+) 0.25)2SiO4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al68-73Fe11-16Cu10-12Cr1-4Ni1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystal in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

NASA Astrophysics Data System (ADS)

Asimow, Paul D.; Lin, Chaney; Bindi, Luca; Ma, Chi; Tschauner, Oliver; Hollister, Lincoln S.; Steinhardt, Paul J.

2016-06-01

We designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg0.75Fe2+0.25)2SiO4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al68-73Fe11-16Cu10-12Cr1-4Ni1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystal in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.

Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: design rules for true single-molecule nanostructures.

PubMed

Thompson, Damien; Hermes, Jens P; Quinn, Aidan J; Mayor, Marcel

2012-04-24

The formation of true single-molecule complexes between organic ligands and nanoparticles is challenging and requires careful design of molecules with size, shape, and chemical properties tailored for the specific nanoparticle. Here we use computer simulations to describe the atomic-scale structure, dynamics, and energetics of ligand-mediated synthesis and interlinking of 1 nm gold clusters. The models help explain recent experimental results and provide insight into how multidentate thioether dendrimers can be employed for synthesis of true single-ligand-nanoparticle complexes and also nanoparticle-molecule-nanoparticle "dumbbell" nanostructures. Electronic structure calculations reveal the individually weak thioether-gold bonds (325 ± 36 meV), which act collectively through the multivalent (multisite) anchoring to stabilize the ligand-nanoparticle complex (∼7 eV total binding energy) and offset the conformational and solvation penalties involved in this "wrapping" process. Molecular dynamics simulations show that the dendrimer is sufficiently flexible to tolerate the strained conformations and desolvation penalties involved in fully wrapping the particle, quantifying the subtle balance between covalent anchoring and noncovalent wrapping in the assembly of ligand-nanoparticle complexes. The computed preference for binding of a single dendrimer to the cluster reveals the prohibitively high dendrimer desolvation barrier (1.5 ± 0.5 eV) to form the alternative double-dendrimer structure. Finally, the models show formation of an additional electron transfer channel between nitrogen and gold for ligands with a central pyridine unit, which gives a stiff binding orientation and explains the recently measured larger interparticle distances for particles synthesized and interlinked using linear ligands with a central pyridine rather than a benzene moiety. The findings stress the importance of organic-inorganic interactions, the control of which is central to the rational engineering and eventual large-scale production of functional building blocks for nano(bio)electronics.

Kinetic Monte Carlo study of vinyl acetate synthesis from ethylene acetoxylation on Pd(100) and Pd/Au(100)

NASA Astrophysics Data System (ADS)

Huang, Yanping; Dong, Xiuqin; Yu, Yingzhe; Zhang, Minhua

2017-11-01

On the basis of the activation barriers and reaction energies from DFT calculations, kinetic Monte Carlo (kMC) simulations of vinyl acetate (VA) synthesis from ethylene acetoxylation on Pd(100) and Pd/Au(100) were carried out. Through kMC simulation, it was found that VA synthesis from ethylene acetoxylation proceeds via Moiseev mechanism on both Pd(100) and Pd/Au(100). The addition of Au into Pd can suppress ethylene dehydrogenation while it can promote acetic acid dehydrogenation, which can eventually facilitate VA synthesis as a whole. The addition of Au into Pd can further improve the conversion and selectivity of VA synthesis from ethylene acetoxylation. When the reaction network is analyzed, besides the energetics of each elementary reaction, the surface coverage of each species and the occupancy of the surface sites on the catalyst should also be taken into consideration.

Static analysis techniques for semiautomatic synthesis of message passing software skeletons

DOE PAGES

Sottile, Matthew; Dagit, Jason; Zhang, Deli; ...

2015-06-29

The design of high-performance computing architectures demands performance analysis of large-scale parallel applications to derive various parameters concerning hardware design and software development. The process of performance analysis and benchmarking an application can be done in several ways with varying degrees of fidelity. One of the most cost-effective ways is to do a coarse-grained study of large-scale parallel applications through the use of program skeletons. The concept of a “program skeleton” that we discuss in this article is an abstracted program that is derived from a larger program where source code that is determined to be irrelevant is removed formore » the purposes of the skeleton. In this work, we develop a semiautomatic approach for extracting program skeletons based on compiler program analysis. Finally, we demonstrate correctness of our skeleton extraction process by comparing details from communication traces, as well as show the performance speedup of using skeletons by running simulations in the SST/macro simulator.« less

Methodology for analysis and simulation of large multidisciplinary problems

NASA Technical Reports Server (NTRS)

Russell, William C.; Ikeda, Paul J.; Vos, Robert G.

1989-01-01

The Integrated Structural Modeling (ISM) program is being developed for the Air Force Weapons Laboratory and will be available for Air Force work. Its goal is to provide a design, analysis, and simulation tool intended primarily for directed energy weapons (DEW), kinetic energy weapons (KEW), and surveillance applications. The code is designed to run on DEC (VMS and UNIX), IRIS, Alliant, and Cray hosts. Several technical disciplines are included in ISM, namely structures, controls, optics, thermal, and dynamics. Four topics from the broad ISM goal are discussed. The first is project configuration management and includes two major areas: the software and database arrangement and the system model control. The second is interdisciplinary data transfer and refers to exchange of data between various disciplines such as structures and thermal. Third is a discussion of the integration of component models into one system model, i.e., multiple discipline model synthesis. Last is a presentation of work on a distributed processing computing environment.

Introduction and Highlights of the Workshop

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Venneri, Samuel L.

1997-01-01

Four generations of CAD/CAM systems can be identified, corresponding to changes in both modeling functionality and software architecture. The systems evolved from 2D and wireframes to solid modeling, to parametric/variational modelers to the current simulation-embedded systems. Recent developments have enabled design engineers to perform many of the complex analysis tasks, typically performed by analysis experts. Some of the characteristics of the current and emerging CAD/CAM/CAE systems are described in subsequent presentations. The focus of the workshop is on the potential of CAD/CAM/CAE systems for use in simulating the entire mission and life-cycle of future aerospace systems, and the needed development to realize this potential. First, the major features of the emerging computing, communication and networking environment are outlined; second, the characteristics and design drivers of future aerospace systems are identified; third, the concept of intelligent synthesis environment being planned by NASA, the UVA ACT Center and JPL is presented; and fourth, the objectives and format of the workshop are outlined.

Advanced Engineering Environments: Implications for Aerospace Manufacturing

NASA Technical Reports Server (NTRS)

Thomas, D.

2001-01-01

There are significant challenges facing today's aerospace industry. Global competition, more complex products, geographically-distributed design teams, demands for lower cost, higher reliability and safer vehicles, and the need to incorporate the latest technologies quicker all face the developer of aerospace systems. New information technologies offer promising opportunities to develop advanced engineering environments (AEEs) to meet these challenges. Significant advances in the state-of-the-art of aerospace engineering practice are envisioned in the areas of engineering design and analytical tools, cost and risk tools, collaborative engineering, and high-fidelity simulations early in the development cycle. These advances will enable modeling and simulation of manufacturing methods, which will in turn allow manufacturing considerations to be included much earlier in the system development cycle. Significant cost savings, increased quality, and decreased manufacturing cycle time are expected to result. This paper will give an overview of the NASA's Intelligent Synthesis Environment, the agency initiative to develop an AEE, with a focus on the anticipated benefits in aerospace manufacturing.

Integrated dynamic analysis simulation of space stations with controllable solar array

NASA Technical Reports Server (NTRS)

Heinrichs, J. A.; Fee, J. J.

1972-01-01

A methodology is formulated and presented for the integrated structural dynamic analysis of space stations with controllable solar arrays and non-controllable appendages. The structural system flexibility characteristics are considered in the dynamic analysis by a synthesis technique whereby free-free space station modal coordinates and cantilever appendage coordinates are inertially coupled. A digital simulation of this analysis method is described and verified by comparison of interaction load solutions with other methods of solution. Motion equations are simulated for both the zero gravity and artificial gravity (spinning) orbital conditions. Closed loop controlling dynamics for both orientation control of the arrays and attitude control of the space station are provided in the simulation by various generic types of controlling systems. The capability of the simulation as a design tool is demonstrated by utilizing typical space station and solar array structural representations and a specific structural perturbing force. Response and interaction load solutions are presented for this structural configuration and indicate the importance of using an integrated type analysis for the predictions of structural interactions.

Recent Developments in Aircraft Flyover Noise Simulation at NASA Langley Research Center

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Sullivan, Brenda M.; Aumann, Aric R.

2008-01-01

The NASA Langley Research Center is involved in the development of a new generation of synthesis and simulation tools for creation of virtual environments used in the study of aircraft community noise. The original emphasis was on simulation of flyover noise associated with subsonic fixed wing aircraft. Recently, the focus has shifted to rotary wing aircraft. Many aspects of the simulation are applicable to both vehicle classes. Other aspects, particularly those associated with synthesis, are more vehicle specific. This paper discusses the capabilities of the current suite of tools, their application to fixed and rotary wing aircraft, and some directions for the future.

Some VTOL head-up display drive-law problems and solutions

NASA Technical Reports Server (NTRS)

Merrick, Vernon K.

1993-01-01

A piloted simulation test was conducted on the Ames Research Center's vertical motion simulator (VMS) in support of the Phase 2A flight test of NASA's V/STOL systems research aircraft (VSRA). During the simulation several problems were found with the head-up display (HUD) symbol drive laws and the flightpath synthesis. These problems and the solutions devised to solve them are described. Most of the resulting HUD drive-law changes were implemented during the simulation and their effectiveness was verified. Subsequently both the HUD symbol drive-law and flightpath-synthesis changes were implemented in the VSRA and tested successfully in the Phase 2A flight tests.

Design, Sustainable Synthesis, and Programmed Reactions of Templated N-Heteroaryl-Fused Vinyl Sultams.

PubMed

Laha, Joydev K; Sharma, Shubhra; Kirar, Seema; Banerjee, Uttam C

2017-09-15

A de novo design and synthesis of N-heteroaryl-fused vinyl sultams as templates for programming chemical reactions on vinyl sultam periphery or (hetero)aryl ring is described. The key features include rational designing and sustainable synthesis of the template, customized reactions of vinyl sultams at C═C bond or involving N-S bond cleavage, and reactions on the periphery of the heteroaryl ring for late-stage diversification. The simple, easy access to the template coupled with opportunities for the synthesis of diversely functionalized heterocyles from a single template constitutes a rare study in contemporary organic synthesis.

Integrating the Engineering Curriculum through the Synthesis and Design Studio

ERIC Educational Resources Information Center

Kellam, Nadia; Walther, Joachim; Costantino, Tracie; Cramond, Bonnie

2013-01-01

Traditional curricular approaches within engineering education tend to be fragmented, with opportunities for content- and meta-level synthesis being mostly limited to freshman and senior year design courses. In this paper, we are proposing a curricular model, the Synthesis and Design Studio, to combat the tendency towards fragmented curricula. The…

Optimal shutdown management

NASA Astrophysics Data System (ADS)

Bottasso, C. L.; Croce, A.; Riboldi, C. E. D.

2014-06-01

The paper presents a novel approach for the synthesis of the open-loop pitch profile during emergency shutdowns. The problem is of interest in the design of wind turbines, as such maneuvers often generate design driving loads on some of the machine components. The pitch profile synthesis is formulated as a constrained optimal control problem, solved numerically using a direct single shooting approach. A cost function expressing a compromise between load reduction and rotor overspeed is minimized with respect to the unknown blade pitch profile. Constraints may include a load reduction not-to-exceed the next dominating loads, a not-to-be-exceeded maximum rotor speed, and a maximum achievable blade pitch rate. Cost function and constraints are computed over a possibly large number of operating conditions, defined so as to cover as well as possible the operating situations encountered in the lifetime of the machine. All such conditions are simulated by using a high-fidelity aeroservoelastic model of the wind turbine, ensuring the accuracy of the evaluation of all relevant parameters. The paper demonstrates the capabilities of the novel proposed formulation, by optimizing the pitch profile of a multi-MW wind turbine. Results show that the procedure can reliably identify optimal pitch profiles that reduce design-driving loads, in a fully automated way.

Application of a novel design paradigm to generate general nonpeptide combinatorial templates mimicking beta-turns: synthesis of ligands for melanocortin receptors.

PubMed

Webb, Thomas R; Jiang, Luyong; Sviridov, Sergey; Venegas, Ruben E; Vlaskina, Anna V; McGrath, Douglas; Tucker, John; Wang, Jian; Deschenes, Alain; Li, Rongshi

2007-01-01

We report the further application of a novel approach to template and ligand design by the synthesis of agonists of the melanocortin receptor. This design method uses the conserved structural data from the three-dimensional conformations of beta-turn peptides to design rigid nonpeptide templates that mimic the orientation of the main chain C-alpha atoms in a peptide beta-turn. We report details on a new synthesis of derivatives of template 1 that are useful for the synthesis of exploratory libraries. The utility of this technique is further exemplified by several iterative rounds of high-throughput synthesis and screening, which result in new partially optimized nonpeptide agonists for several melanocortin receptors.

Hardware Design and Implementation of a Wavelet De-Noising Procedure for Medical Signal Preprocessing

PubMed Central

Chen, Szi-Wen; Chen, Yuan-Ho

2015-01-01

In this paper, a discrete wavelet transform (DWT) based de-noising with its applications into the noise reduction for medical signal preprocessing is introduced. This work focuses on the hardware realization of a real-time wavelet de-noising procedure. The proposed de-noising circuit mainly consists of three modules: a DWT, a thresholding, and an inverse DWT (IDWT) modular circuits. We also proposed a novel adaptive thresholding scheme and incorporated it into our wavelet de-noising procedure. Performance was then evaluated on both the architectural designs of the software and. In addition, the de-noising circuit was also implemented by downloading the Verilog codes to a field programmable gate array (FPGA) based platform so that its ability in noise reduction may be further validated in actual practice. Simulation experiment results produced by applying a set of simulated noise-contaminated electrocardiogram (ECG) signals into the de-noising circuit showed that the circuit could not only desirably meet the requirement of real-time processing, but also achieve satisfactory performance for noise reduction, while the sharp features of the ECG signals can be well preserved. The proposed de-noising circuit was further synthesized using the Synopsys Design Compiler with an Artisan Taiwan Semiconductor Manufacturing Company (TSMC, Hsinchu, Taiwan) 40 nm standard cell library. The integrated circuit (IC) synthesis simulation results showed that the proposed design can achieve a clock frequency of 200 MHz and the power consumption was only 17.4 mW, when operated at 200 MHz. PMID:26501290

A simulation based optimization approach to model and design life support systems for manned space missions

NASA Astrophysics Data System (ADS)

Aydogan, Selen

This dissertation considers the problem of process synthesis and design of life-support systems for manned space missions. A life-support system is a set of technologies to support human life for short and long-term spaceflights, via providing the basic life-support elements, such as oxygen, potable water, and food. The design of the system needs to meet the crewmember demand for the basic life-support elements (products of the system) and it must process the loads generated by the crewmembers. The system is subject to a myriad of uncertainties because most of the technologies involved are still under development. The result is high levels of uncertainties in the estimates of the model parameters, such as recovery rates or process efficiencies. Moreover, due to the high recycle rates within the system, the uncertainties are amplified and propagated within the system, resulting in a complex problem. In this dissertation, two algorithms have been successfully developed to help making design decisions for life-support systems. The algorithms utilize a simulation-based optimization approach that combines a stochastic discrete-event simulation and a deterministic mathematical programming approach to generate multiple, unique realizations of the controlled evolution of the system. The timelines are analyzed using time series data mining techniques and statistical tools to determine the necessary technologies, their deployment schedules and capacities, and the necessary basic life-support element amounts to support crew life and activities for the mission duration.

Hardware design and implementation of a wavelet de-noising procedure for medical signal preprocessing.

PubMed

Chen, Szi-Wen; Chen, Yuan-Ho

2015-10-16

In this paper, a discrete wavelet transform (DWT) based de-noising with its applications into the noise reduction for medical signal preprocessing is introduced. This work focuses on the hardware realization of a real-time wavelet de-noising procedure. The proposed de-noising circuit mainly consists of three modules: a DWT, a thresholding, and an inverse DWT (IDWT) modular circuits. We also proposed a novel adaptive thresholding scheme and incorporated it into our wavelet de-noising procedure. Performance was then evaluated on both the architectural designs of the software and. In addition, the de-noising circuit was also implemented by downloading the Verilog codes to a field programmable gate array (FPGA) based platform so that its ability in noise reduction may be further validated in actual practice. Simulation experiment results produced by applying a set of simulated noise-contaminated electrocardiogram (ECG) signals into the de-noising circuit showed that the circuit could not only desirably meet the requirement of real-time processing, but also achieve satisfactory performance for noise reduction, while the sharp features of the ECG signals can be well preserved. The proposed de-noising circuit was further synthesized using the Synopsys Design Compiler with an Artisan Taiwan Semiconductor Manufacturing Company (TSMC, Hsinchu, Taiwan) 40 nm standard cell library. The integrated circuit (IC) synthesis simulation results showed that the proposed design can achieve a clock frequency of 200 MHz and the power consumption was only 17.4 mW, when operated at 200 MHz.

Methyllithium-Doped Naphthyl-Containing Conjugated Microporous Polymer with Enhanced Hydrogen Storage Performance.

PubMed

Xu, Dan; Sun, Lei; Li, Gang; Shang, Jin; Yang, Rui-Xia; Deng, Wei-Qiao

2016-06-01

Hydrogen storage is a primary challenge for using hydrogen as a fuel. With ideal hydrogen storage kinetics, the weak binding strength of hydrogen to sorbents is the key barrier to obtain decent hydrogen storage performance. Here, we reported the rational synthesis of a methyllithium-doped naphthyl-containing conjugated microporous polymer with exceptional binding strength of hydrogen to the polymer guided by theoretical simulations. Meanwhile, the experimental results showed that isosteric heat can reach up to 8.4 kJ mol(-1) and the methyllithium-doped naphthyl-containing conjugated microporous polymer exhibited an enhanced hydrogen storage performance with 150 % enhancement compared with its counterpart naphthyl-containing conjugated microporous polymer. These results indicate that this strategy provides a direction for design and synthesis of new materials that meet the US Department of Energy (DOE) hydrogen storage target. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Topology optimization for nonlinear dynamic problems: Considerations for automotive crashworthiness

NASA Astrophysics Data System (ADS)

Kaushik, Anshul; Ramani, Anand

2014-04-01

Crashworthiness of automotive structures is most often engineered after an optimal topology has been arrived at using other design considerations. This study is an attempt to incorporate crashworthiness requirements upfront in the topology synthesis process using a mathematically consistent framework. It proposes the use of equivalent linear systems from the nonlinear dynamic simulation in conjunction with a discrete-material topology optimizer. Velocity and acceleration constraints are consistently incorporated in the optimization set-up. Issues specific to crash problems due to the explicit solution methodology employed, nature of the boundary conditions imposed on the structure, etc. are discussed and possible resolutions are proposed. A demonstration of the methodology on two-dimensional problems that address some of the structural requirements and the types of loading typical of frontal and side impact is provided in order to show that this methodology has the potential for topology synthesis incorporating crashworthiness requirements.

Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

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

Green, Martin L.; Choi, C. L.; Hattrick-Simpers, J. R.

The Materials Genome Initiative, a national effort to introduce new materials into the market faster and at lower cost, has made significant progress in computational simulation and modeling of materials. To build on this progress, a large amount of experimental data for validating these models, and informing more sophisticated ones, will be required. High-throughput experimentation generates large volumes of experimental data using combinatorial materials synthesis and rapid measurement techniques, making it an ideal experimental complement to bring the Materials Genome Initiative vision to fruition. This paper reviews the state-of-the-art results, opportunities, and challenges in high-throughput experimentation for materials design. Asmore » a result, a major conclusion is that an effort to deploy a federated network of high-throughput experimental (synthesis and characterization) tools, which are integrated with a modern materials data infrastructure, is needed.« less

Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

DOE PAGES

Green, Martin L.; Choi, C. L.; Hattrick-Simpers, J. R.; ...

2017-03-28

The Materials Genome Initiative, a national effort to introduce new materials into the market faster and at lower cost, has made significant progress in computational simulation and modeling of materials. To build on this progress, a large amount of experimental data for validating these models, and informing more sophisticated ones, will be required. High-throughput experimentation generates large volumes of experimental data using combinatorial materials synthesis and rapid measurement techniques, making it an ideal experimental complement to bring the Materials Genome Initiative vision to fruition. This paper reviews the state-of-the-art results, opportunities, and challenges in high-throughput experimentation for materials design. Asmore » a result, a major conclusion is that an effort to deploy a federated network of high-throughput experimental (synthesis and characterization) tools, which are integrated with a modern materials data infrastructure, is needed.« less

Design, Synthesis and Testing of Novel Antimalarial

DTIC Science & Technology

2006-05-05

U.S.N.A. --- Trident Scholar project report; no. 343 (2006) DESIGN, SYNTHESIS AND TESTING OF NOVEL ANTIMALARIAL COMPOUNDS by Midshipman 1/C...Certification of Adviser Approval Assistant Professor Clare E. Gutteridge Chemistry Department ____________________________________ (signature...Leave blank) 2. REPORT DATE 5 May 2006 3. REPORT TYPE AND DATE COVERED 4. TITLE AND SUBTITLE Design, synthesis and testing of

Germacrone derivatives: synthesis, biological activity, molecular docking studies and molecular dynamics simulations.

PubMed

Wu, Jie; Feng, Yu; Han, Chao; Huang, Wu; Shen, Zhibin; Yang, Mengdie; Chen, Weiqiang; Ye, Lianbao

2017-02-28

Germacrone is one of the major bioactive components in the Curcuma zedoaria oil product, which is extracted from Curcuma zedoaria Roscoe, known as zedoary. The present study designed some novel germacrone derivatives based on combination principles, synthesized these compounds, and investigated their inhibitions on Bel-7402, HepG2, A549 and HeLa cells. Meanwhile, the study evaluated inhibitions of these derivatives on c-Met kinase, which has been detected in a number of cancers. The results suggested that the majority of the compounds showed stronger inhibitory effect on cancers and c-Met kinase than germacrone. Furthermore, our docking experiments analyzed the results and explained the molecular mechanism. Molecular dynamics simulations were then applied to perform further evaluation of the binding stabilities between compounds and their receptors.

Synthesis: Intertwining product and process

NASA Technical Reports Server (NTRS)

Weiss, David M.

1990-01-01

Synthesis is a proposed systematic process for rapidly creating different members of a program family. Family members are described by variations in their requirements. Requirements variations are mapped to variations on a standard design to generate production quality code and documentation. The approach is made feasible by using principles underlying design for change. Synthesis incorporates ideas from rapid prototyping, application generators, and domain analysis. The goals of Synthesis and the Synthesis process are discussed. The technology needed and the feasibility of the approach are also briefly discussed. The status of current efforts to implement Synthesis methodologies is presented.

Rationally Designed 2D Covalent Organic Framework with a Brick-Wall Topology

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

Cai, Song-Liang; Zhang, Kai; Tan, Jing-Bo

In this paper, we report the design and synthesis of an imine-based two-dimensional covalent organic framework (2D COF) with a novel brick-wall topology by judiciously choosing a tritopic T-shaped building block and a ditopic linear linker. Unlike the main body of COF frameworks reported to-date, which consists of higher-symmetry 2D topologies, the unconventional layered brick-wall topology have only been proposed but never been realized experimentally. The brick-wall structure was characterized by powder X-ray diffraction analysis, FT-IR, solid state 13C NMR spectroscopy, nitrogen, and carbon oxide adsorption-desorption measurements as well as theoretical simulations. Lastly, our present work opens the door tomore » the design of novel 2D COFs and will broaden the scope of emerging COF materials.« less

Rationally Designed 2D Covalent Organic Framework with a Brick-Wall Topology

DOE PAGES

Cai, Song-Liang; Zhang, Kai; Tan, Jing-Bo; ...

2016-11-23

In this paper, we report the design and synthesis of an imine-based two-dimensional covalent organic framework (2D COF) with a novel brick-wall topology by judiciously choosing a tritopic T-shaped building block and a ditopic linear linker. Unlike the main body of COF frameworks reported to-date, which consists of higher-symmetry 2D topologies, the unconventional layered brick-wall topology have only been proposed but never been realized experimentally. The brick-wall structure was characterized by powder X-ray diffraction analysis, FT-IR, solid state 13C NMR spectroscopy, nitrogen, and carbon oxide adsorption-desorption measurements as well as theoretical simulations. Lastly, our present work opens the door tomore » the design of novel 2D COFs and will broaden the scope of emerging COF materials.« less

Conceptual spacecraft systems design and synthesis

NASA Technical Reports Server (NTRS)

Wright, R. L.; Deryder, D. D.; Ferebee, M. J., Jr.

1984-01-01

An interactive systems design and synthesis is performed on future spacecraft concepts using the Interactive Design and Evaluation of Advanced Systems (IDEAS) computer-aided design and analysis system. The capabilities and advantages of the systems-oriented interactive computer-aided design and analysis system are described. The synthesis of both large antenna and space station concepts, and space station evolutionary growth designs is demonstrated. The IDEAS program provides the user with both an interactive graphics and an interactive computing capability which consists of over 40 multidisciplinary synthesis and analysis modules. Thus, the user can create, analyze, and conduct parametric studies and modify earth-orbiting spacecraft designs (space stations, large antennas or platforms, and technologically advanced spacecraft) at an interactive terminal with relative ease. The IDEAS approach is useful during the conceptual design phase of advanced space missions when a multiplicity of parameters and concepts must be analyzed and evaluated in a cost-effective and timely manner.

Streamlining the Design-to-Build Transition with Build-Optimization Software Tools.

PubMed

Oberortner, Ernst; Cheng, Jan-Fang; Hillson, Nathan J; Deutsch, Samuel

2017-03-17

Scaling-up capabilities for the design, build, and test of synthetic biology constructs holds great promise for the development of new applications in fuels, chemical production, or cellular-behavior engineering. Construct design is an essential component in this process; however, not every designed DNA sequence can be readily manufactured, even using state-of-the-art DNA synthesis methods. Current biological computer-aided design and manufacture tools (bioCAD/CAM) do not adequately consider the limitations of DNA synthesis technologies when generating their outputs. Designed sequences that violate DNA synthesis constraints may require substantial sequence redesign or lead to price-premiums and temporal delays, which adversely impact the efficiency of the DNA manufacturing process. We have developed a suite of build-optimization software tools (BOOST) to streamline the design-build transition in synthetic biology engineering workflows. BOOST incorporates knowledge of DNA synthesis success determinants into the design process to output ready-to-build sequences, preempting the need for sequence redesign. The BOOST web application is available at https://boost.jgi.doe.gov and its Application Program Interfaces (API) enable integration into automated, customized DNA design processes. The herein presented results highlight the effectiveness of BOOST in reducing DNA synthesis costs and timelines.

Machine learning for inverse lithography: using stochastic gradient descent for robust photomask synthesis

NASA Astrophysics Data System (ADS)

Jia, Ningning; Y Lam, Edmund

2010-04-01

Inverse lithography technology (ILT) synthesizes photomasks by solving an inverse imaging problem through optimization of an appropriate functional. Much effort on ILT is dedicated to deriving superior masks at a nominal process condition. However, the lower k1 factor causes the mask to be more sensitive to process variations. Robustness to major process variations, such as focus and dose variations, is desired. In this paper, we consider the focus variation as a stochastic variable, and treat the mask design as a machine learning problem. The stochastic gradient descent approach, which is a useful tool in machine learning, is adopted to train the mask design. Compared with previous work, simulation shows that the proposed algorithm is effective in producing robust masks.

Automated Design of Board and MCM Level Digital Systems.

DTIC Science & Technology

1997-10-01

Partitioning for Multicomponent Synthesis 159 Appendix K: Resource Constrained RTL Partitioning for Synthesis of Multi- FPGA Designs 169 Appendix L...digital signal processing) ar- chitectures. These target architectures, illustrated in Figure 1, can contain application-specific ASICS, FPGAs ...synthesis tools for ASIC, FPGA and MCM synthesis (Figure 8). Multicomponent Partitioning Engine The par- titioning engine is a hierarchical partitioning

On Polymorphic Circuits and Their Design Using Evolutionary Algorithms

NASA Technical Reports Server (NTRS)

Stoica, Adrian; Zebulum, Ricardo; Keymeulen, Didier; Lohn, Jason; Clancy, Daniel (Technical Monitor)

2002-01-01

This paper introduces the concept of polymorphic electronics (polytronics) - referring to electronics with superimposed built-in functionality. A function change does not require switches/reconfiguration as in traditional approaches. Instead the change comes from modifications in the characteristics of devices involved in the circuit, in response to controls such as temperature, power supply voltage (VDD), control signals, light, etc. The paper illustrates polytronic circuits in which the control is done by temperature, morphing signals, and VDD respectively. Polytronic circuits are obtained by evolutionary design/evolvable hardware techniques. These techniques are ideal for the polytronics design, a new area that lacks design guidelines, know-how,- yet the requirements/objectives are easy to specify and test. The circuits are evolved/synthesized in two different modes. The first mode explores an unstructured space, in which transistors can be interconnected freely in any arrangement (in simulations only). The second mode uses a Field Programmable Transistor Array (FPTA) model, and the circuit topology is sought as a mapping onto a programmable architecture (these experiments are performed both in simulations and on FPTA chips). The experiments demonstrated the synthesis. of polytronic circuits by evolution. The capacity of storing/hiding "extra" functions provides for watermark/invisible functionality, thus polytronics may find uses in intelligence/security applications.

No Escaping the Rat Race: Simulated Night Shift Work Alters the Time-of-Day Variation in BMAL1 Translational Activity in the Prefrontal Cortex.

PubMed

Marti, Andrea R; Patil, Sudarshan; Mrdalj, Jelena; Meerlo, Peter; Skrede, Silje; Pallesen, Ståle; Pedersen, Torhild T; Bramham, Clive R; Grønli, Janne

2017-01-01

Millions of people worldwide work during the night, resulting in disturbed circadian rhythms and sleep loss. This may cause deficits in cognitive functions, impaired alertness and increased risk of errors and accidents. Disturbed circadian rhythmicity resulting from night shift work could impair brain function and cognition through disrupted synthesis of proteins involved in synaptic plasticity and neuronal function. Recently, the circadian transcription factor brain-and-muscle arnt-like protein 1 (BMAL1) has been identified as a promoter of mRNA translation initiation, the most highly regulated step in protein synthesis, through binding to the mRNA "cap". In this study we investigated the effects of simulated shift work on protein synthesis markers. Male rats ( n = 40) were exposed to forced activity, either in their rest phase (simulated night shift work) or in their active phase (simulated day shift work) for 3 days. Following the third work shift, experimental animals and time-matched undisturbed controls were euthanized (rest work at ZT12; active work at ZT0). Tissue lysates from two brain regions (prefrontal cortex, PFC and hippocampus) implicated in cognition and sleep loss, were analyzed with m 7 GTP (cap) pull-down to examine time-of-day variation and effects of simulated shift work on cap-bound protein translation. The results show time-of-day variation of protein synthesis markers in PFC, with increased protein synthesis at ZT12. In the hippocampus there was little difference between ZT0 and ZT12. Active phase work did not induce statistically significant changes in protein synthesis markers at ZT0 compared to time-matched undisturbed controls. Rest work, however, resulted in distinct brain-region specific changes of protein synthesis markers compared to time-matched controls at ZT12. While no changes were observed in the hippocampus, phosphorylation of cap-bound BMAL1 and its regulator S6 kinase beta-1 (S6K1) was significantly reduced in the PFC, together with significant reduction in the synaptic plasticity associated protein activity-regulatedcytoskeleton-associated protein (Arc). Our results indicate considerable time-of-day and brain-region specific variation in cap-dependent translation initiation. We concludethat simulated night shift work in rats disrupts the pathways regulating the circadian component of the translation of mRNA in the PFC, and that this may partly explain impaired waking function during night shift work.

Interactive systems design and synthesis of future spacecraft concepts

NASA Technical Reports Server (NTRS)

Wright, R. L.; Deryder, D. D.; Ferebee, M. J., Jr.

1984-01-01

An interactive systems design and synthesis is performed on future spacecraft concepts using the Interactive Design and Evaluation of Advanced spacecraft (IDEAS) computer-aided design and analysis system. The capabilities and advantages of the systems-oriented interactive computer-aided design and analysis system are described. The synthesis of both large antenna and space station concepts, and space station evolutionary growth is demonstrated. The IDEAS program provides the user with both an interactive graphics and an interactive computing capability which consists of over 40 multidisciplinary synthesis and analysis modules. Thus, the user can create, analyze and conduct parametric studies and modify Earth-orbiting spacecraft designs (space stations, large antennas or platforms, and technologically advanced spacecraft) at an interactive terminal with relative ease. The IDEAS approach is useful during the conceptual design phase of advanced space missions when a multiplicity of parameters and concepts must be analyzed and evaluated in a cost-effective and timely manner.

In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent.

PubMed

Avila-Salas, Fabian; Marican, Adolfo; Villaseñor, Jorge; Arenas-Salinas, Mauricio; Argandoña, Yerko; Caballero, Julio; Durán-Lara, Esteban F

2018-01-04

This study describes the in-silico design, synthesis, and evaluation of a cross-linked PVA hydrogel (CLPH) for the absorption of organophosphorus pesticide dimethoate from aqueous solutions. The crosslinking effectiveness of 14 dicarboxilic acids was evaluated through in-silico studies using semiempirical quantum mechanical calculations. According to the theoretical studies, the nanopore of PVA cross-linked with malic acid (CLPH-MA) showed the best interaction energy with dimethoate. Later, using all-atom molecular dynamics simulations, three hydrogels with different proportions of PVA:MA (10:2, 10:4, and 10:6) were used to evaluate their interactions with dimethoate. These results showed that the suitable crosslinking degree for improving the affinity for the pesticide was with 20% ( W %) of the cross-linker. In the experimental absorption study, the synthesized CLPH-MA20 recovered 100% of dimethoate from aqueous solutions. Therefore, the theoretical data were correlated with the experimental studies. Surface morphology of CLPH-MA20 by Scanning Electron Microscopy (SEM) was analyzed. In conclusion, the ability of CLPH-MA20 to remove dimethoate could be used as a technological alternative for the treatment of contaminated water.

In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent

PubMed Central

Avila-Salas, Fabian; Marican, Adolfo; Villaseñor, Jorge; Argandoña, Yerko

2018-01-01

This study describes the in-silico design, synthesis, and evaluation of a cross-linked PVA hydrogel (CLPH) for the absorption of organophosphorus pesticide dimethoate from aqueous solutions. The crosslinking effectiveness of 14 dicarboxilic acids was evaluated through in-silico studies using semiempirical quantum mechanical calculations. According to the theoretical studies, the nanopore of PVA cross-linked with malic acid (CLPH-MA) showed the best interaction energy with dimethoate. Later, using all-atom molecular dynamics simulations, three hydrogels with different proportions of PVA:MA (10:2, 10:4, and 10:6) were used to evaluate their interactions with dimethoate. These results showed that the suitable crosslinking degree for improving the affinity for the pesticide was with 20% (W%) of the cross-linker. In the experimental absorption study, the synthesized CLPH-MA20 recovered 100% of dimethoate from aqueous solutions. Therefore, the theoretical data were correlated with the experimental studies. Surface morphology of CLPH-MA20 by Scanning Electron Microscopy (SEM) was analyzed. In conclusion, the ability of CLPH-MA20 to remove dimethoate could be used as a technological alternative for the treatment of contaminated water. PMID:29300312

Position and attitude tracking control for a quadrotor UAV.

PubMed

Xiong, Jing-Jing; Zheng, En-Hui

2014-05-01

A synthesis control method is proposed to perform the position and attitude tracking control of the dynamical model of a small quadrotor unmanned aerial vehicle (UAV), where the dynamical model is underactuated, highly-coupled and nonlinear. Firstly, the dynamical model is divided into a fully actuated subsystem and an underactuated subsystem. Secondly, a controller of the fully actuated subsystem is designed through a novel robust terminal sliding mode control (TSMC) algorithm, which is utilized to guarantee all state variables converge to their desired values in short time, the convergence time is so small that the state variables are acted as time invariants in the underactuated subsystem, and, a controller of the underactuated subsystem is designed via sliding mode control (SMC), in addition, the stabilities of the subsystems are demonstrated by Lyapunov theory, respectively. Lastly, in order to demonstrate the robustness of the proposed control method, the aerodynamic forces and moments and air drag taken as external disturbances are taken into account, the obtained simulation results show that the synthesis control method has good performance in terms of position and attitude tracking when faced with external disturbances. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

AMICAL: An aid for architectural synthesis and exploration of control circuits

NASA Astrophysics Data System (ADS)

Park, Inhag

AMICAL is an architectural synthesis system for control flow dominated circuits. A behavioral finite state machine specification, where the scheduling and register allocation were performed, is presented. An abstract architecture specification that may feed existing silicon compilers acting at the logic and register transfer levels is described. AMICAL consists of five main functions allowing automatic, interactive and manual synthesis, as well as the combination of these methods. These functions are a synthesizer, a graphics editor, a verifier, an evaluator, and a documentor. Automatic synthesis is achieved by algorithms that allocate both functional units, stored in an expandable user defined library, and connections. AMICAL also allows the designer to interrupt the synthesis process at any stage and make interactive modifications via a specially designed graphics editor. The user's modifications are verified and evaluated to ensure that no design rules are broken and that any imposed constraints are still met. A documentor provides the designer with status and feedback reports from the synthesis process.

One-pot synthesis of water soluble iron nanoparticles using rationally-designed peptides and ligand release.

PubMed

Papst, Stefanie; Cheong, Soshan; Banholzer, Moritz J; Brimble, Margaret A; Williams, David E; Tilley, Richard D

2013-05-18

Herein we report the rational design of new phosphopeptides for control of nucleation, growth and aggregation of water-soluble, superparamagnetic iron-iron oxide core-shell nanoparticles. The use of the designed peptides enables a one-pot synthesis that avoids utilizing unstable or toxic iron precursors, organic solvents, and the need for exchange of capping agent after synthesis of the NPs.

Man-machine Integration Design and Analysis System (MIDAS) Task Loading Model (TLM) experimental and software detailed design report

NASA Technical Reports Server (NTRS)

Staveland, Lowell

1994-01-01

This is the experimental and software detailed design report for the prototype task loading model (TLM) developed as part of the man-machine integration design and analysis system (MIDAS), as implemented and tested in phase 6 of the Army-NASA Aircrew/Aircraft Integration (A3I) Program. The A3I program is an exploratory development effort to advance the capabilities and use of computational representations of human performance and behavior in the design, synthesis, and analysis of manned systems. The MIDAS TLM computationally models the demands designs impose on operators to aide engineers in the conceptual design of aircraft crewstations. This report describes TLM and the results of a series of experiments which were run this phase to test its capabilities as a predictive task demand modeling tool. Specifically, it includes discussions of: the inputs and outputs of TLM, the theories underlying it, the results of the test experiments, the use of the TLM as both stand alone tool and part of a complete human operator simulation, and a brief introduction to the TLM software design.

Aerospace Toolbox---a flight vehicle design, analysis, simulation ,and software development environment: I. An introduction and tutorial

NASA Astrophysics Data System (ADS)

Christian, Paul M.; Wells, Randy

2001-09-01

This paper presents a demonstrated approach to significantly reduce the cost and schedule of non real-time modeling and simulation, real-time HWIL simulation, and embedded code development. The tool and the methodology presented capitalize on a paradigm that has become a standard operating procedure in the automotive industry. The tool described is known as the Aerospace Toolbox, and it is based on the MathWorks Matlab/Simulink framework, which is a COTS application. Extrapolation of automotive industry data and initial applications in the aerospace industry show that the use of the Aerospace Toolbox can make significant contributions in the quest by NASA and other government agencies to meet aggressive cost reduction goals in development programs. The part I of this paper provides a detailed description of the GUI based Aerospace Toolbox and how it is used in every step of a development program; from quick prototyping of concept developments that leverage built-in point of departure simulations through to detailed design, analysis, and testing. Some of the attributes addressed include its versatility in modeling 3 to 6 degrees of freedom, its library of flight test validated library of models (including physics, environments, hardware, and error sources), and its built-in Monte Carlo capability. Other topics to be covered in this part include flight vehicle models and algorithms, and the covariance analysis package, Navigation System Covariance Analysis Tools (NavSCAT). Part II of this paper, to be published at a later date, will conclude with a description of how the Aerospace Toolbox is an integral part of developing embedded code directly from the simulation models by using the Mathworks Real Time Workshop and optimization tools. It will also address how the Toolbox can be used as a design hub for Internet based collaborative engineering tools such as NASA's Intelligent Synthesis Environment (ISE) and Lockheed Martin's Interactive Missile Design Environment (IMD).

A Program Structure for Event-Based Speech Synthesis by Rules within a Flexible Segmental Framework.

ERIC Educational Resources Information Center

Hill, David R.

1978-01-01

A program structure based on recently developed techniques for operating system simulation has the required flexibility for use as a speech synthesis algorithm research framework. This program makes synthesis possible with less rigid time and frequency-component structure than simpler schemes. It also meets real-time operation and memory-size…

Synthesis and characterisation of novel low temperature ceramic and its implementation as substrate in dual segment CDRA

NASA Astrophysics Data System (ADS)

Kumari, Preeti; Tripathi, Pankaj; Sahu, Bhagirath; Singh, S. P.; Parkash, Om; Kumar, Devendra

2018-02-01

Li2O-(2-3x)MgO-(x)Al2O3-P2O5 (LMAP) (x = 0.00-0.08) ceramic system was prepared through solid state synthesis route at different sintering temperatures (800-925 °C). A small addition of Al2O3 (x = 0.02) in LMAP ceramics lowers the sintering temperature by more than 100 °C with good relative density of 94.13%. The sintered samples were characterized in terms of density, apparent porosity, water absorption, crystal structure, micro-structure and microwave dielectric properties. Silver compatibility test is also performed for its use as electrode material in low temperature co-fired ceramic (LTCC) application. To check the performance of the prepared LTCC as substrate, a microstrip-fed aperture-coupled dual segment cylindrical dielectric resonator antenna (DS-CDRA) is designed using LMAP (x = 0.02) ceramic as substrate material and Barium Strontium Titanate with 10 wt% of PbO-BaO-B2O3-SiO2 glass (BSTG) and Teflon as the components of resonating material. The simulation study of the DS-CDRA is performed using the Ansys High Frequency Structure Simulator (HFSS) software. A conductive coating of silver is used on the substrate. The simulated and measured -10 dB reflection coefficient bandwidths of 910 MHz (9.07-9.98 GHz at resonant frequency of 9.49 GHz) and 1080 MHz (8.68-9.76 GHz at resonant frequency of 9.36 GHz), respectively are achieved. The measured results of the fabricated antenna are found in good agreement with the simulation results. The prepared material can find potential applications in radar and radio navigation as well as radio astronomy and military satellite communication.

The synthesis method for design of electron flow sources

NASA Astrophysics Data System (ADS)

Alexahin, Yu I.; Molodozhenzev, A. Yu

1997-01-01

The synthesis method to design a relativistic magnetically - focused beam source is described in this paper. It allows to find a shape of electrodes necessary to produce laminar space charge flows. Electron guns with shielded cathodes designed with this method were analyzed using the EGUN code. The obtained results have shown the coincidence of the synthesis and analysis calculations [1]. This method of electron gun calculation may be applied for immersed electron flows - of interest for the EBIS electron gun design.

Simulation-Guided 3D Nanomanufacturing via Focused Electron Beam Induced Deposition

DOE PAGES

Fowlkes, Jason D.; Winkler, Robert; Lewis, Brett B.; ...

2016-06-10

Focused electron beam induced deposition (FEBID) is one of the few techniques that enables direct-write synthesis of free-standing 3D nanostructures. While the fabrication of simple architectures such as vertical or curving nanowires has been achieved by simple trial and error, processing complex 3D structures is not tractable with this approach. This is due, inpart, to the dynamic interplay between electron–solid interactions and the transient spatial distribution of absorbed precursor molecules on the solid surface. Here, we demonstrate the ability to controllably deposit 3D lattice structures at the micro/nanoscale, which have received recent interest owing to superior mechanical and optical properties.more » Moreover, a hybrid Monte Carlo–continuum simulation is briefly overviewed, and subsequently FEBID experiments and simulations are directly compared. Finally, a 3D computer-aided design (CAD) program is introduced, which generates the beam parameters necessary for FEBID by both simulation and experiment. In using this approach, we demonstrate the fabrication of various 3D lattice structures using Pt-, Au-, and W-based precursors.« less

Development of a fixed bed gasifier model and optimal operating conditions determination

NASA Astrophysics Data System (ADS)

Dahmani, Manel; Périlhon, Christelle; Marvillet, Christophe; Hajjaji, Noureddine; Houas, Ammar; Khila, Zouhour

2017-02-01

The main objective of this study was to develop a fixed bed gasifier model of palm waste and to identify the optimal operating conditions to produce electricity from synthesis gas. First, the gasifier was simulated using Aspen PlusTM software. Gasification is a thermo-chemical process that has long been used, but it remains a perfectible technology. It means incomplete combustion of biomass solid fuel into synthesis gas through partial oxidation. The operating parameters (temperature and equivalence ratio (ER)) were thereafter varied to investigate their effect on the synthesis gas composition and to provide guidance for future research and development efforts in process design. The equivalence ratio is defined as the ratio of the amount of air actually supplied to the gasifier and the stoichiometric amount of air. Increasing ER decreases the production of CO and H2 and increases the production of CO2 and H2O while an increase in temperature increases the fraction of CO and H2. The results show that the optimum temperature to have a syngas able to be effectively used for power generation is 900°C and the optimum equivalence ratio is 0.1.

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

DOE PAGES

Asimow, Paul D.; Lin, Chaney; Bindi, Luca; ...

2016-06-28

Here, we designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg 0.75Fe 0.25 2+) 2SiO 4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al 68-73Fe 11-16Cu 10-12Cr 1-4Ni 1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystalmore » in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.« less

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

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

Asimow, Paul D.; Lin, Chaney; Bindi, Luca

Here, we designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg 0.75Fe 0.25 2+) 2SiO 4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al 68-73Fe 11-16Cu 10-12Cr 1-4Ni 1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystalmore » in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.« less

Polypeptide nanogels with hydrophobic moieties in the cross-linked ionic cores: Synthesis, characterization and implications for anticancer drug delivery

PubMed Central

Kim, Jong Oh; Oberoi, Hardeep S.; Desale, Swapnil; Kabanov, Alexander V.; Bronich, Tatiana K.

2014-01-01

Polymer nanogels have gained considerable attention as a potential platform for drug delivery applications. Here we describe the design and synthesis of novel polypeptide-based nanogels with hydrophobic moieties in the cross-linked ionic cores. Diblock copolymer, poly(ethylene glycol)-b-poly(L-glutamic acid), hydrophobically modified with L-phenylalanine methyl ester moieties was used for controlled template synthesis of nanogels with small size (ca. 70 nm in diameter) and narrow particle size distribution. Steady-state and time-resolved fluorescence studies using coumarin C153 indicated the existence of hydrophobic domains in the ionic cores of the nanogels. Stable doxorubicin-loaded nanogels were prepared at high drug capacity (30 w/w%). We show that nanogels are enzymatically-degradable leading to accelerated drug release under simulated lysosomal acidic pH. Furthermore, we demonstrate that the nanogel-based formulation of doxorubicin is well tolerated and exhibit an improved antitumor activity compared to a free doxorubicin in an ovarian tumor xenograft mouse model. Our results signify the point to a potential of these biodegradable nanogels as attractive carriers for delivery of chemotherapeutics. PMID:23998716

Investigation on the reproduction performance versus acoustic contrast control in sound field synthesis.

PubMed

Bai, Mingsian R; Wen, Jheng-Ciang; Hsu, Hoshen; Hua, Yi-Hsin; Hsieh, Yu-Hao

2014-10-01

A sound reconstruction system is proposed for audio reproduction with extended sweet spot and reduced reflections. An equivalent source method (ESM)-based sound field synthesis (SFS) approach, with the aid of dark zone minimization is adopted in the study. Conventional SFS that is based on the free-field assumption suffers from synthesis error due to boundary reflections. To tackle the problem, the proposed system utilizes convex optimization in designing array filters with both reproduction performance and acoustic contrast taken into consideration. Control points are deployed in the dark zone to minimize the reflections from the walls. Two approaches are employed to constrain the pressure and velocity in the dark zone. Pressure matching error (PME) and acoustic contrast (AC) are used as performance measures in simulations and experiments for a rectangular loudspeaker array. Perceptual Evaluation of Audio Quality (PEAQ) is also used to assess the audio reproduction quality. The results show that the pressure-constrained (PC) method yields better acoustic contrast, but poorer reproduction performance than the pressure-velocity constrained (PVC) method. A subjective listening test also indicates that the PVC method is the preferred method in a live room.

Simulated Screens of DNA Encoded Libraries: The Potential Influence of Chemical Synthesis Fidelity on Interpretation of Structure-Activity Relationships.

PubMed

Satz, Alexander L

2016-07-11

Simulated screening of DNA encoded libraries indicates that the presence of truncated byproducts complicates the relationship between library member enrichment and equilibrium association constant (these truncates result from incomplete chemical reactions during library synthesis). Further, simulations indicate that some patterns observed in reported experimental data may result from the presence of truncated byproducts in the library mixture and not structure-activity relationships. Potential experimental methods of minimizing the presence of truncates are assessed via simulation; the relationship between enrichment and equilibrium association constant for libraries of differing purities is investigated. Data aggregation techniques are demonstrated that allow for more accurate analysis of screening results, in particular when the screened library contains significant quantities of truncates.

The Synthesis Approach to Analysing Educational Design Dataset: Application of Three Scaffolds to a Learning by Design Task for Postgraduate Education Students

ERIC Educational Resources Information Center

Thompson, Kate; Carvalho, Lucila; Aditomo, Anindito; Dimitriadis, Yannis; Dyke, Gregory; Evans, Michael A.; Khosronejad, Maryam; Martinez-Maldonado, Roberto; Reimann, Peter; Wardak, Dewa

2015-01-01

The aims of the Synthesis and Scaffolding Project were to understand: the role of specific scaffolds in relation to the activity of learners, and the activity of learners during a collaborative design task from multiple perspectives, through the collection and analysis of multiple streams of data and the adoption of a synthesis approach to the…

Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc00667a

PubMed Central

Han, Longtao; Irle, Stephan; Nakai, Hiromi

2018-01-01

We performed nanosecond timescale computer simulations of clusterization and agglomeration processes of boron nitride (BN) nanostructures in hot, high pressure gas, starting from eleven different atomic and molecular precursor systems containing boron, nitrogen and hydrogen at various temperatures from 1500 to 6000 K. The synthesized BN nanostructures self-assemble in the form of cages, flakes, and tubes as well as amorphous structures. The simulations facilitate the analysis of chemical dynamics and we are able to predict the optimal conditions concerning temperature and chemical precursor composition for controlling the synthesis process in a high temperature gas volume, at high pressure. We identify the optimal precursor/temperature choices that lead to the nanostructures of highest quality with the highest rate of synthesis, using a novel parameter of the quality of the synthesis (PQS). Two distinct mechanisms of BN nanotube growth were found, neither of them based on the root-growth process. The simulations were performed using quantum-classical molecular dynamics (QCMD) based on the density-functional tight-binding (DFTB) quantum mechanics in conjunction with a divide-and-conquer (DC) linear scaling algorithm, as implemented in the DC-DFTB-K code, enabling the study of systems as large as 1300 atoms in canonical NVT ensembles for 1 ns time. PMID:29780513

Time Dependent Structural Evolution of Porous Organic Cage CC3

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

Lucero, Jolie; Elsaidi, Sameh; Anderson, Ryther

Porous organic cage compounds are emerged with remarkable structural diversity and functionality that have applications in gas separation, catalysis and energy storage. Fundamental understanding of nucleation and growth of such materials have significant implications for understanding molecularly directed self-assembly phenomena. Herein we followed the structural evolution of a prototypical type of porous organic cage, CC3 as a function of synthesis time. Three distinctive crystal formation stages were identified: at short synthesis times, a rapid crystal growth stage in which amorphous agglomerates transformed into larger irregular particles was observed. At intermediate synthesis times, a decrease in crystal size over time wasmore » observed presumably due to crystal fragmentation, redissolution and/or homogeneous nucleation led. Finally, at longer synthesis times, a regrowth process was observed in which particles coalesced through Ostwald ripening leading to a continuous increase in crystal size. Molecular simulation studies, based on the construction of in silico CC3 models and simulation of XRD patterns and nitrogen isotherms, confirm the samples at different synthesis times to be a mixture of CC3α and CC3 amorphous phases. The CC3α phase is found to contract at different synthesis times, and the amorphous phase is found to essentially disappear at the longest synthesis time. Nitrogen and carbon dioxide adsorption properties of these CC3 phases were evaluated, and were highly dependent on synthesis time.« less

Systematic computational and experimental investigation of lithium-ion transport mechanisms in polyester-based polymer electrolytes

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

Webb, Michael A.; Jung, Yukyung; Pesko, Danielle M.

Understanding the mechanisms of lithium-ion transport in polymers is crucial for the design of polymer electrolytes. We combine modular synthesis, electrochemical characterization, and molecular simulation to investigate lithium-ion transport in a new family of polyester-based polymers and in poly(ethylene oxide) (PEO). Theoretical predictions of glass-transition temperatures and ionic conductivities in the polymers agree well with experimental measurements. Interestingly, both the experiments and simulations indicate that the ionic conductivity of PEO, relative to the polyesters, is far higher than would be expected from its relative glass-transition temperature. The simulations reveal that diffusion of the lithium cations in the polyesters proceeds viamore » a different mechanism than in PEO, and analysis of the distribution of available cation solvation sites in the various polymers provides a novel and intuitive way to explain the experimentally observed ionic conductivities. This work provides a platform for the evaluation and prediction of ionic conductivities in polymer electrolyte materials.« less

Systematic computational and experimental investigation of lithium-ion transport mechanisms in polyester-based polymer electrolytes

DOE PAGES

Webb, Michael A.; Jung, Yukyung; Pesko, Danielle M.; ...

2015-07-10

Understanding the mechanisms of lithium-ion transport in polymers is crucial for the design of polymer electrolytes. We combine modular synthesis, electrochemical characterization, and molecular simulation to investigate lithium-ion transport in a new family of polyester-based polymers and in poly(ethylene oxide) (PEO). Theoretical predictions of glass-transition temperatures and ionic conductivities in the polymers agree well with experimental measurements. Interestingly, both the experiments and simulations indicate that the ionic conductivity of PEO, relative to the polyesters, is far higher than would be expected from its relative glass-transition temperature. The simulations reveal that diffusion of the lithium cations in the polyesters proceeds viamore » a different mechanism than in PEO, and analysis of the distribution of available cation solvation sites in the various polymers provides a novel and intuitive way to explain the experimentally observed ionic conductivities. This work provides a platform for the evaluation and prediction of ionic conductivities in polymer electrolyte materials.« less

Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes

PubMed Central

2015-01-01

Understanding the mechanisms of lithium-ion transport in polymers is crucial for the design of polymer electrolytes. We combine modular synthesis, electrochemical characterization, and molecular simulation to investigate lithium-ion transport in a new family of polyester-based polymers and in poly(ethylene oxide) (PEO). Theoretical predictions of glass-transition temperatures and ionic conductivities in the polymers agree well with experimental measurements. Interestingly, both the experiments and simulations indicate that the ionic conductivity of PEO, relative to the polyesters, is far higher than would be expected from its relative glass-transition temperature. The simulations reveal that diffusion of the lithium cations in the polyesters proceeds via a different mechanism than in PEO, and analysis of the distribution of available cation solvation sites in the various polymers provides a novel and intuitive way to explain the experimentally observed ionic conductivities. This work provides a platform for the evaluation and prediction of ionic conductivities in polymer electrolyte materials. PMID:27162971

Polymerization of amino acids under primitive earth conditions.

NASA Technical Reports Server (NTRS)

Flores, J. J.; Ponnamperuma, C.

1972-01-01

Small amounts of peptides were obtained when equal amounts of methane and ammonia were reacted with vaporized aqueous solutions of C14-labeled glycine, L-alanine, L-aspartic acid, L-glutamic acid and L-threonine in the presence of a continuous spark discharge in a 24-hr cyclic process. The experiment was designed to demonstrate the possibility of peptide synthesis under simulated primeval earth conditions. It is theorized that some dehydration-condensation processes may have taken place, with ammonium cyanide, the hydrogencyanide tetramer or aminonitriles as intermediate products, during the early chemical evolution of the earth.

The Effect of Temperature on the Production of Nitrobenzene

NASA Astrophysics Data System (ADS)

Agustriyanto, R.; Sapei, L.; Rosaline, G.; Setiawan, R.

2017-02-01

Nitrobenzene is a compound derived from benzene and quite fundamental in the petrochemical industry. One of which is in the manufacture of aniline. Aniline has an important role as dyes, synthetic rubber materials, rocket fuels and pharmaceuticals. Nitrobenzene can be synthesized by the nitration reaction of benzene. The purpose of the research is to design synthesis process of nitrobenzene by using Aspen Hysys simulator. The effect of changes in operating condition on nitrobenzene will be investigated. The benefits of the research are to obtain the optimum operating temperature for nitrobenzene production so that the use of utility can be minimized.

Linear Parameter Varying Control for Actuator Failure

NASA Technical Reports Server (NTRS)

Shin, Jong-Yeob; Wu, N. Eva; Belcastro, Christine; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

A robust linear parameter varying (LPV) control synthesis is carried out for an HiMAT vehicle subject to loss of control effectiveness. The scheduling parameter is selected to be a function of the estimates of the control effectiveness factors. The estimates are provided on-line by a two-stage Kalman estimator. The inherent conservatism of the LPV design is reducing through the use of a scaling factor on the uncertainty block that represents the estimation errors of the effectiveness factors. Simulations of the controlled system with the on-line estimator show that a superior fault-tolerance can be achieved.

Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations

NASA Astrophysics Data System (ADS)

Abbas, Saghir; Nasir, Hafiza Huma; Zaib, Sumera; Ali, Saqib; Mahmood, Tariq; Ayub, Khurshid; Tahir, Muhammad Nawaz; Iqbal, Jamshed

2018-03-01

In the present study, we have designed and synthesized a Schiff base derivative 3 and characterized by FT-IR, 1H and 13C NMR spectroscopy. Single crystal X-ray diffraction and NMR studies were also performed. The synthetic compound was screened for its inhibitory potential against carbonic anhydrase II. The experimental results were validated by molecular docking and dynamic simulations of compound 3 in the active pocket of enzyme. Important binding interactions with the key residues in the active site of the carbonic anhydrase enzyme were revealed. Moreover, supramolecular assembly of the title compound was analyzed by density functional theory (DFT) calculations. These studies rendered a more clear understanding for the demonstration of novel molecular mechanism involved in CA II inhibition by the synthesized compound.

Modeling and Composing Scenario-Based Requirements with Aspects

NASA Technical Reports Server (NTRS)

Araujo, Joao; Whittle, Jon; Ki, Dae-Kyoo

2004-01-01

There has been significant recent interest, within the Aspect-Oriented Software Development (AOSD) community, in representing crosscutting concerns at various stages of the software lifecycle. However, most of these efforts have concentrated on the design and implementation phases. We focus in this paper on representing aspects during use case modeling. In particular, we focus on scenario-based requirements and show how to compose aspectual and non-aspectual scenarios so that they can be simulated as a whole. Non-aspectual scenarios are modeled as UML sequence diagram. Aspectual scenarios are modeled as Interaction Pattern Specifications (IPS). In order to simulate them, the scenarios are transformed into a set of executable state machines using an existing state machine synthesis algorithm. Previous work composed aspectual and non-aspectual scenarios at the sequence diagram level. In this paper, the composition is done at the state machine level.

A Comparison of the Effectiveness of Two Design Methodologies in a Secondary School Setting.

ERIC Educational Resources Information Center

Cannizzaro, Brenton; Boughton, Doug

1998-01-01

Examines the effectiveness of the analysis-synthesis and generator-conjuncture-analysis models of design education. Concludes that the generator-conjecture-analysis design method produced student design product of a slightly higher standard than the analysis-synthesis design method. Discusses the findings in more detail and considers implications.…

MHDL CAD tool with fault circuit handling

NASA Astrophysics Data System (ADS)

Espinosa Flores-Verdad, Guillermo; Altamirano Robles, Leopoldo; Osorio Roque, Leticia

2003-04-01

Behavioral modeling and simulation, with Analog Hardware and Mixed Signal Description High Level Languages (MHDLs), have generated the development of diverse simulation tools that allow handling the requirements of the modern designs. These systems have million of transistors embedded and they are radically diverse between them. This tendency of simulation tools is exemplified by the development of languages for modeling and simulation, whose applications are the re-use of complete systems, construction of virtual prototypes, realization of test and synthesis. This paper presents the general architecture of a Mixed Hardware Description Language, based on the standard 1076.1-1999 IEEE VHDL Analog and Mixed-Signal Extensions known as VHDL-AMS. This architecture is novel by consider the modeling and simulation of faults. The main modules of the CAD tool are briefly described in order to establish the information flow and its transformations, starting from the description of a circuit model, going throw the lexical analysis, mathematical models generation and the simulation core, ending at the collection of the circuit behavior as simulation"s data. In addition, the incorporated mechanisms to the simulation core are explained in order to realize the handling of faults into the circuit models. Currently, the CAD tool works with algebraic and differential descriptions for the circuit models, nevertheless the language design is open to be able to handle different model types: Fuzzy Models, Differentials Equations, Transfer Functions and Tables. This applies for fault models too, in this sense the CAD tool considers the inclusion of mutants and saboteurs. To exemplified the results obtained until now, the simulated behavior of a circuit is shown when it is fault free and when it has been modified by the inclusion of a fault as a mutant or a saboteur. The obtained results allow the realization of a virtual diagnosis for mixed circuits. This language works in a UNIX system; it was developed with an object-oriented methodology and programmed in C++.

Fuel ethanol production: process design trends and integration opportunities.

PubMed

Cardona, Carlos A; Sánchez, Oscar J

2007-09-01

Current fuel ethanol research and development deals with process engineering trends for improving biotechnological production of ethanol. In this work, the key role that process design plays during the development of cost-effective technologies is recognized through the analysis of major trends in process synthesis, modeling, simulation and optimization related to ethanol production. Main directions in techno-economical evaluation of fuel ethanol processes are described as well as some prospecting configurations. The most promising alternatives for compensating ethanol production costs by the generation of valuable co-products are analyzed. Opportunities for integration of fuel ethanol production processes and their implications are underlined. Main ways of process intensification through reaction-reaction, reaction-separation and separation-separation processes are analyzed in the case of bioethanol production. Some examples of energy integration during ethanol production are also highlighted. Finally, some concluding considerations on current and future research tendencies in fuel ethanol production regarding process design and integration are presented.

Beamforming synthesis of binaural responses from computer simulations of acoustic spaces.

PubMed

Poletti, Mark A; Svensson, U Peter

2008-07-01

Auditorium designs can be evaluated prior to construction by numerical modeling of the design. High-accuracy numerical modeling produces the sound pressure on a rectangular grid, and subjective assessment of the design requires auralization of the sampled sound field at a desired listener position. This paper investigates the production of binaural outputs from the sound pressure at a selected number of grid points by using a least squares beam forming approach. Low-frequency axisymmetric emulations are derived by assuming a solid sphere model of the head, and a spherical array of 640 microphones is used to emulate ten measured head-related transfer function (HRTF) data sets from the CIPIC database for half the audio bandwidth. The spherical array can produce high-accuracy band-limited emulation of any human subject's measured HRTFs for a fixed listener position by using individual sets of beam forming impulse responses.

Invited article: Dielectric material characterization techniques and designs of high-Q resonators for applications from micro to millimeter-waves frequencies applicable at room and cryogenic temperatures.

PubMed

Le Floch, Jean-Michel; Fan, Y; Humbert, Georges; Shan, Qingxiao; Férachou, Denis; Bara-Maillet, Romain; Aubourg, Michel; Hartnett, John G; Madrangeas, Valerie; Cros, Dominique; Blondy, Jean-Marc; Krupka, Jerzy; Tobar, Michael E

2014-03-01

Dielectric resonators are key elements in many applications in micro to millimeter wave circuits, including ultra-narrow band filters and frequency-determining components for precision frequency synthesis. Distributed-layered and bulk low-loss crystalline and polycrystalline dielectric structures have become very important for building these devices. Proper design requires careful electromagnetic characterization of low-loss material properties. This includes exact simulation with precision numerical software and precise measurements of resonant modes. For example, we have developed the Whispering Gallery mode technique for microwave applications, which has now become the standard for characterizing low-loss structures. This paper will give some of the most common characterization techniques used in the micro to millimeter wave regime at room and cryogenic temperatures for designing high-Q dielectric loaded cavities.

"Genetically Engineered" Nanoelectronics

NASA Technical Reports Server (NTRS)

Klimeck, Gerhard; Salazar-Lazaro, Carlos H.; Stoica, Adrian; Cwik, Thomas

2000-01-01

The quantum mechanical functionality of nanoelectronic devices such as resonant tunneling diodes (RTDs), quantum well infrared-photodetectors (QWIPs), quantum well lasers, and heterostructure field effect transistors (HFETs) is enabled by material variations on an atomic scale. The design and optimization of such devices requires a fundamental understanding of electron transport in such dimensions. The Nanoelectronic Modeling Tool (NEMO) is a general-purpose quantum device design and analysis tool based on a fundamental non-equilibrium electron transport theory. NEW was combined with a parallelized genetic algorithm package (PGAPACK) to evolve structural and material parameters to match a desired set of experimental data. A numerical experiment that evolves structural variations such as layer widths and doping concentrations is performed to analyze an experimental current voltage characteristic. The genetic algorithm is found to drive the NEMO simulation parameters close to the experimentally prescribed layer thicknesses and doping profiles. With such a quantitative agreement between theory and experiment design synthesis can be performed.

A Design Study of Onboard Navigation and Guidance During Aerocapture at Mars. M.S. Thesis

NASA Technical Reports Server (NTRS)

Fuhry, Douglas Paul

1988-01-01

The navigation and guidance of a high lift-to-drag ratio sample return vehicle during aerocapture at Mars are investigated. Emphasis is placed on integrated systems design, with guidance algorithm synthesis and analysis based on vehicle state and atmospheric density uncertainty estimates provided by the navigation system. The latter utilizes a Kalman filter for state vector estimation, with useful update information obtained through radar altimeter measurements and density altitude measurements based on IMU-measured drag acceleration. A three-phase guidance algorithm, featuring constant bank numeric predictor/corrector atmospheric capture and exit phases and an extended constant altitude cruise phase, is developed to provide controlled capture and depletion of orbital energy, orbital plane control, and exit apoapsis control. Integrated navigation and guidance systems performance are analyzed using a four degree-of-freedom computer simulation. The simulation environment includes an atmospheric density model with spatially correlated perturbations to provide realistic variations over the vehicle trajectory. Navigation filter initial conditions for the analysis are based on planetary approach optical navigation results. Results from a selection of test cases are presented to give insight into systems performance.

Analysis of satellite multibeam antennas’ performances

NASA Astrophysics Data System (ADS)

Sterbini, Guido

2006-07-01

In this work, we discuss the application of frequency reuse's concept in satellite communications, stressing the importance for a design-oriented mathematical model as first step for dimensioning antenna systems. We consider multibeam reflector antennas. The first part of the work consists in reorganizing, making uniform and completing the models already developed in the scientific literature. In doing it, we adopt the multidimensional Taylor development formalism. For computing the spillover efficiency of the antenna, we consider different feed's illuminations and we propose a completely original mathematical model, obtained by the interpolation of simulator results. The second part of the work is dedicated to characterize the secondary far field pattern. Combining this model together with the information on the cellular coverage geometry is possible to evaluate the isolation and the minimum directivity on the cell. As third part, in order to test the model and its analysis and synthesis capabilities, we implement a software tool that helps the designer in the rapid tuning of the fundamental quantities for the optimization of the performance: the proposed model shows an optimum agreement with the results of the simulations.

The Separatrix Algorithm for Synthesis and Analysis of Stochastic Simulations with Applications in Disease Modeling

PubMed Central

Klein, Daniel J.; Baym, Michael; Eckhoff, Philip

2014-01-01

Decision makers in epidemiology and other disciplines are faced with the daunting challenge of designing interventions that will be successful with high probability and robust against a multitude of uncertainties. To facilitate the decision making process in the context of a goal-oriented objective (e.g., eradicate polio by ), stochastic models can be used to map the probability of achieving the goal as a function of parameters. Each run of a stochastic model can be viewed as a Bernoulli trial in which “success” is returned if and only if the goal is achieved in simulation. However, each run can take a significant amount of time to complete, and many replicates are required to characterize each point in parameter space, so specialized algorithms are required to locate desirable interventions. To address this need, we present the Separatrix Algorithm, which strategically locates parameter combinations that are expected to achieve the goal with a user-specified probability of success (e.g. 95%). Technically, the algorithm iteratively combines density-corrected binary kernel regression with a novel information-gathering experiment design to produce results that are asymptotically correct and work well in practice. The Separatrix Algorithm is demonstrated on several test problems, and on a detailed individual-based simulation of malaria. PMID:25078087

Identification of a new binding site in E. coli FabH using Molecular dynamics simulations: validation by computational alanine mutagenesis and docking studies.

PubMed

Ramamoorthy, Divya; Turos, Edward; Guida, Wayne C

2013-05-24

FabH (Fatty acid biosynthesis, enzyme H, also referred to as β-ketoacyl-ACP-synthase III) is a key condensing enzyme in the type II fatty acid synthesis (FAS) system. The FAS pathway in bacteria is essential for growth and survival and vastly differs from the human FAS pathway. Enzymes involved in this pathway have arisen as promising biomolecular targets for discovery of new antibacterial drugs. However, currently there are no clinical drugs that selectively target FabH, and known inhibitors of FabH all act within the active site. FabH exerts its catalytic function as a dimer, which could potentially be exploited in developing new strategies for inhibitor design. The aim of this study was to elucidate structural details of the dimer interface region by means of computational modeling, including molecular dynamics (MD) simulations, in order to derive information for the structure-based design of new FabH inhibitors. The dimer interface region was analyzed by MD simulations, trajectory snapshots were collected for further analyses, and docking studies were performed with potential small molecule disruptors. Alanine mutation and docking studies strongly suggest that the dimer interface could be a potential target for anti-infection drug discovery.

Synthesis of calculational methods for design and analysis of radiation shields for nuclear rocket systems

NASA Technical Reports Server (NTRS)

Capo, M. A.; Disney, R. K.; Jordan, T. A.; Soltesz, R. G.; Woodsum, H. C.

1969-01-01

Eight computer programs make up a nine volume synthesis containing two design methods for nuclear rocket radiation shields. The first design method is appropriate for parametric and preliminary studies, while the second accomplishes the verification of a final nuclear rocket reactor design.

Method of sound synthesis

DOEpatents

Miner, Nadine E.; Caudell, Thomas P.

2004-06-08

A sound synthesis method for modeling and synthesizing dynamic, parameterized sounds. The sound synthesis method yields perceptually convincing sounds and provides flexibility through model parameterization. By manipulating model parameters, a variety of related, but perceptually different sounds can be generated. The result is subtle changes in sounds, in addition to synthesis of a variety of sounds, all from a small set of models. The sound models can change dynamically according to changes in the simulation environment. The method is applicable to both stochastic (impulse-based) and non-stochastic (pitched) sounds.

Heterochiral Knottin Protein: Folding and Solution Structure.

PubMed

Mong, Surin K; Cochran, Frank V; Yu, Hongtao; Graziano, Zachary; Lin, Yu-Shan; Cochran, Jennifer R; Pentelute, Bradley L

2017-10-31

Homochirality is a general feature of biological macromolecules, and Nature includes few examples of heterochiral proteins. Herein, we report on the design, chemical synthesis, and structural characterization of heterochiral proteins possessing loops of amino acids of chirality opposite to that of the rest of a protein scaffold. Using the protein Ecballium elaterium trypsin inhibitor II, we discover that selective β-alanine substitution favors the efficient folding of our heterochiral constructs. Solution nuclear magnetic resonance spectroscopy of one such heterochiral protein reveals a homogeneous global fold. Additionally, steered molecular dynamics simulation indicate β-alanine reduces the free energy required to fold the protein. We also find these heterochiral proteins to be more resistant to proteolysis than homochiral l-proteins. This work informs the design of heterochiral protein architectures containing stretches of both d- and l-amino acids.

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.

PubMed

Gómez-Bombarelli, Rafael; Aguilera-Iparraguirre, Jorge; Hirzel, Timothy D; Duvenaud, David; Maclaurin, Dougal; Blood-Forsythe, Martin A; Chae, Hyun Sik; Einzinger, Markus; Ha, Dong-Gwang; Wu, Tony; Markopoulos, Georgios; Jeon, Soonok; Kang, Hosuk; Miyazaki, Hiroshi; Numata, Masaki; Kim, Sunghan; Huang, Wenliang; Hong, Seong Ik; Baldo, Marc; Adams, Ryan P; Aspuru-Guzik, Alán

2016-10-01

Virtual screening is becoming a ground-breaking tool for molecular discovery due to the exponential growth of available computer time and constant improvement of simulation and machine learning techniques. We report an integrated organic functional material design process that incorporates theoretical insight, quantum chemistry, cheminformatics, machine learning, industrial expertise, organic synthesis, molecular characterization, device fabrication and optoelectronic testing. After exploring a search space of 1.6 million molecules and screening over 400,000 of them using time-dependent density functional theory, we identified thousands of promising novel organic light-emitting diode molecules across the visible spectrum. Our team collaboratively selected the best candidates from this set. The experimentally determined external quantum efficiencies for these synthesized candidates were as large as 22%.

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

NASA Astrophysics Data System (ADS)

Gómez-Bombarelli, Rafael; Aguilera-Iparraguirre, Jorge; Hirzel, Timothy D.; Duvenaud, David; MacLaurin, Dougal; Blood-Forsythe, Martin A.; Chae, Hyun Sik; Einzinger, Markus; Ha, Dong-Gwang; Wu, Tony; Markopoulos, Georgios; Jeon, Soonok; Kang, Hosuk; Miyazaki, Hiroshi; Numata, Masaki; Kim, Sunghan; Huang, Wenliang; Hong, Seong Ik; Baldo, Marc; Adams, Ryan P.; Aspuru-Guzik, Alán

2016-10-01

Virtual screening is becoming a ground-breaking tool for molecular discovery due to the exponential growth of available computer time and constant improvement of simulation and machine learning techniques. We report an integrated organic functional material design process that incorporates theoretical insight, quantum chemistry, cheminformatics, machine learning, industrial expertise, organic synthesis, molecular characterization, device fabrication and optoelectronic testing. After exploring a search space of 1.6 million molecules and screening over 400,000 of them using time-dependent density functional theory, we identified thousands of promising novel organic light-emitting diode molecules across the visible spectrum. Our team collaboratively selected the best candidates from this set. The experimentally determined external quantum efficiencies for these synthesized candidates were as large as 22%.

Robust distributed model predictive control of linear systems with structured time-varying uncertainties

NASA Astrophysics Data System (ADS)

Zhang, Langwen; Xie, Wei; Wang, Jingcheng

2017-11-01

In this work, synthesis of robust distributed model predictive control (MPC) is presented for a class of linear systems subject to structured time-varying uncertainties. By decomposing a global system into smaller dimensional subsystems, a set of distributed MPC controllers, instead of a centralised controller, are designed. To ensure the robust stability of the closed-loop system with respect to model uncertainties, distributed state feedback laws are obtained by solving a min-max optimisation problem. The design of robust distributed MPC is then transformed into solving a minimisation optimisation problem with linear matrix inequality constraints. An iterative online algorithm with adjustable maximum iteration is proposed to coordinate the distributed controllers to achieve a global performance. The simulation results show the effectiveness of the proposed robust distributed MPC algorithm.

Application of type synthesis theory to the redesign of a complex surgical instrument.

PubMed

Lim, Jonas J B; Erdman, Arthur G

2002-06-01

Surgical instruments consist of basic mechanical components such as gears, links, pivots, sliders, etc., which are common in mechanical design. This paper describes the application of a method in the analysis and design of complex surgical instruments such as those employed in laparoscopic surgery. This is believed to be the first application of type synthesis theory to a complex medical instrument. Type synthesis is a methodology that can be applied during the conceptual phase of mechanical design. A handle assembly from a patented laparoscopic surgical stapler is used to illustrate the application of the design method developed. Type synthesis is applied on specific subsystems of the mechanism within the handle assembly where alternative design concepts are generated. Chosen concepts are then combined to form a new conceptual design for the handle assembly. The new handle assembly is improved because it has fewer number of parts, is a simpler design and is easier to assemble. Surgical instrument designers may use the methodology presented here to analyze the mechanical subsystems within complex instruments and to create new options that may offer improvements to the original design.

Facile Synthesis and Proposed Mechanism of α,ω-Oxetanyl-Telechelic Poly(3-nitratomethyl-3-methyl oxetane) by an SN2(i) Nitrato Displacement Method in Basic Media

NASA Astrophysics Data System (ADS)

Desai, Hemant J.; Acheampong, Daniel O.; Hudson, Robert; Lacey, Richard; Stanley, Claire; Turner, Helen; Whitmore, Hannah; Torry, Simon; Golding, Peter; Erothu, Harikrishna; Topham, Paul

2017-01-01

The synthesis of a novel heterocyclic-telechelic polymer, α,ω-oxetanyl-telechelic poly(3-nitratomethyl-3-methyl oxetane), is described. Infrared spectroscopy (IR), gel permeation chromatography (GPC), and nuclear magnetic resonance (NMR) spectroscopy have been used to confirm the successful synthesis, demonstrating the presence of the telechelic-oxetanyl moieties. Synthesis of the terminal functionalities has been achieved via displacement of nitrato groups, in a manner similar to that employed with other leaving groups such as azido, bromo, and nitro, initiated by nucleophiles. In the present case, displacement occurs on the ends of a nitrato-functionalized polymer driven by the formation of sodium nitrate, which is supported by the polar aprotic solvent N,N-dimethyl formamide. The formation of an alkoxide at the polymer chain ends is favored and allows internal back-biting to the nearest carbon bearing the nitrato group, intrinsically in an SN2(i) reaction, leading to α,ω-oxetanyl functionalization. The telechelic-oxetanyl moieties have the potential to be cross-linked by chemical (e.g., acidic) or radiative (e.g., ultraviolet) curing methods without the use of high temperatures, usually below 100°C. This type of material was designed for future use as a contraband simulant, whereby it would form the predominant constituent of elastomeric composites comprising rubbery polymer with small quantities of solids, typically crystals of contraband substances, such as explosives or narcotics. This method also provides an alternative approach to ring closure and synthesis of heterocycles.

Off-site training of laparoscopic skills, a scoping review using a thematic analysis.

PubMed

Thinggaard, Ebbe; Kleif, Jakob; Bjerrum, Flemming; Strandbygaard, Jeanett; Gögenur, Ismail; Matthew Ritter, E; Konge, Lars

2016-11-01

The focus of research in simulation-based laparoscopic training has changed from examining whether simulation training works to examining how best to implement it. In laparoscopic skills training, portable and affordable box trainers allow for off-site training. Training outside simulation centers and hospitals can increase access to training, but also poses new challenges to implementation. This review aims to guide implementation of off-site training of laparoscopic skills by critically reviewing the existing literature. An iterative systematic search was carried out in MEDLINE, EMBASE, ERIC, Scopus, and PsychINFO, following a scoping review methodology. The included literature was analyzed iteratively using a thematic analysis approach. The study was reported in accordance with the STructured apprOach to the Reporting In healthcare education of Evidence Synthesis statement. From the search, 22 records were identified and included for analysis. A thematic analysis revealed the themes: access to training, protected training time, distribution of training, goal setting and testing, task design, and unsupervised training. The identified themes were based on learning theories including proficiency-based learning, deliberate practice, and self-regulated learning. Methods of instructional design vary widely in off-site training of laparoscopic skills. Implementation can be facilitated by organizing courses and training curricula following sound education theories such as proficiency-based learning and deliberate practice. Directed self-regulated learning has the potential to improve off-site laparoscopic skills training; however, further studies are needed to demonstrate the effect of this type of instructional design.

Mechanical discrete simulator of the electro-mechanical lift with n:1 roping

NASA Astrophysics Data System (ADS)

Alonso, F. J.; Herrera, I.

2016-05-01

The design process of new products in lift engineering is a difficult task due to, mainly, the complexity and slenderness of the lift system, demanding a predictive tool for the lift mechanics. A mechanical ad-hoc discrete simulator, as an alternative to ‘general purpose’ mechanical simulators is proposed. Firstly, the synthesis and experimentation process that has led to establish a suitable model capable of simulating accurately the response of the electromechanical lift is discussed. Then, the equations of motion are derived. The model comprises a discrete system of 5 vertically displaceable masses (car, counterweight, car frame, passengers/loads and lift drive), an inertial mass of the assembly tension pulley-rotor shaft which can rotate about the machine axis and 6 mechanical connectors with 1:1 suspension layout. The model is extended to any n:1 roping lift by setting 6 equivalent mechanical components (suspension systems for car and counterweight, lift drive silent blocks, tension pulley-lift drive stator and passengers/load equivalent spring-damper) by inductive inference from 1:1 and generalized 2:1 roping system. The application to simulate real elevator systems is proposed by numeric time integration of the governing equations using the Kutta-Meden algorithm and implemented in a computer program for ad-hoc elevator simulation called ElevaCAD.

The design of multirate digital control systems

NASA Technical Reports Server (NTRS)

Berg, M. C.

1986-01-01

The successive loop closures synthesis method is the only method for multirate (MR) synthesis in common use. A new method for MR synthesis is introduced which requires a gradient-search solution to a constrained optimization problem. Some advantages of this method are that the control laws for all control loops are synthesized simultaneously, taking full advantage of all cross-coupling effects, and that simple, low-order compensator structures are easily accomodated. The algorithm and associated computer program for solving the constrained optimization problem are described. The successive loop closures , optimal control, and constrained optimization synthesis methods are applied to two example design problems. A series of compensator pairs are synthesized for each example problem. The succesive loop closure, optimal control, and constrained optimization synthesis methods are compared, in the context of the two design problems.

Design, synthesis, and biological evaluation of stable β6.3-Helices: Discovery of non-hemolytic antibacterial peptides.

PubMed

Reddy, Damodara N; Singh, Sukrit; Ho, Chris M W; Patel, Janki; Schlesinger, Paul; Rodgers, Stephen; Doctor, Allan; Marshall, Garland R

2018-04-10

Gramicidin A, a topical antibiotic made from alternating L and D amino acids, is characterized by its wide central pore; upon insertion into membranes, it forms channels that disrupts ion gradients. We present helical peptidomimetics with this characteristic wide central pore that have been designed to mimic gramicidin A channels. Mimetics were designed using molecular modeling focused on oligomers of heterochiral dipeptides of proline analogs, in particular azaproline (AzPro). Molecular Dynamics simulations in water confirmed the stability of the designed helices. A sixteen-residue Formyl-(AzPro-Pro) 8 -NHCH 2 CH 2 OH helix was synthesized as well as a full thirty-two residue Cbz-(AzPro-Pro) 16 -O t Bu channels. No liposomal lysis activity was observed suggesting lack of channel formation, possibly due to inappropriate hydrogen-bonding interactions in the membrane. These peptidomimetics also did not hemolyze red blood cells, unlike gramicidin A. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Silicon compilation: From the circuit to the system

NASA Astrophysics Data System (ADS)

Obrien, Keven

The methodology used for the compilation of silicon from a behavioral level to a system level is presented. The aim was to link the heretofore unrelated areas of high level synthesis and system level design. This link will play an important role in the development of future design automation tools as it will allow hardware/software co-designs to be synthesized. A design methodology that alllows, through the use of an intermediate representation, SOLAR, a System level Design Language (SDL), to be combined with a Hardware Description Language (VHDL) is presented. Two main steps are required in order to transform this specification into a synthesizable one. Firstly, a system level synthesis step including partitioning and communication synthesis is required in order to split the model into a set of interconnected subsystems, each of which will be processed by a high level synthesis tool. For this latter step AMICAL is used and this allows powerful scheduling techniques to be used, that accept very abstract descriptions of control flow dominated circuits as input, and interconnected RTL blocks that may feed existing logic-level synthesis tools to be generated.

Nonlinear multivariable design by total synthesis. [of gas turbine engine control systems

NASA Technical Reports Server (NTRS)

Sain, M. K.; Peczkowski, J. L.

1982-01-01

The Nominal Design Problem (NDP) is extended to nonlinear cases, and a new case study of robust feedback synthesis for gas turbine control design is presented. The discussion of NDP extends and builds on earlier Total Synthesis Problem theory and ideas. Some mathematical preliminaries are given in which a bijection from a set S onto a set T is considered, with T admitting the structure of an F-vector space. NDP is then discussed for a nonlinear plant, and nonlinear nominal design is defined and characterized. The design of local controllers for a turbojet and the scheduling of these controls into a global control are addressed.

The "Virtual ChemLab" Project: A Realistic and Sophisticated Simulation of Organic Synthesis and Organic Qualitative Analysis

ERIC Educational Resources Information Center

Woodfield, Brian F.; Andrus, Merritt B.; Waddoups, Gregory L.; Moore, Melissa S.; Swan, Richard; Allen, Rob; Bodily, Greg; Andersen, Tricia; Miller, Jordan; Simmons, Bryon; Stanger, Richard

2005-01-01

A set of sophisticated and realistic laboratory simulations is created for use in freshman- and sophomore-level chemistry classes and laboratories called 'Virtual ChemLab'. A detailed assessment of student responses is provided and the simulation's pedagogical utility is described using the organic simulation.

Theoretical approaches to creation of robotic coal mines based on the synthesis of simulation technologies

NASA Astrophysics Data System (ADS)

Fryanov, V. N.; Pavlova, L. D.; Temlyantsev, M. V.

2017-09-01

Methodological approaches to theoretical substantiation of the structure and parameters of robotic coal mines are outlined. The results of mathematical and numerical modeling revealed the features of manifestation of geomechanical and gas dynamic processes in the conditions of robotic mines. Technological solutions for the design and manufacture of technical means for robotic mine are adopted using the method of economic and mathematical modeling and in accordance with the current regulatory documents. For a comparative performance evaluation of technological schemes of traditional and robotic mines, methods of cognitive modeling and matrix search for subsystem elements in the synthesis of a complex geotechnological system are applied. It is substantiated that the process of technical re-equipment of a traditional mine with a phased transition to a robotic mine will reduce unit costs by almost 1.5 times with a significant social effect due to a reduction in the number of personnel engaged in hazardous work.

Synthesis of Monodisperse Chitosan Nanoparticles and in Situ Drug Loading Using Active Microreactor.

PubMed

Kamat, Vivek; Marathe, Ila; Ghormade, Vandana; Bodas, Dhananjay; Paknikar, Kishore

2015-10-21

Chitosan nanoparticles are promising drug delivery vehicles. However, the conventional method of unregulated mixing during ionic gelation limits their application because of heterogeneity in size and physicochemical properties. Therefore, a detailed theoretical analysis of conventional and active microreactor models was simulated. This led to design and fabrication of a polydimethylsiloxane microreactor with magnetic micro needles for the synthesis of monodisperse chitosan nanoparticles. Chitosan nanoparticles synthesized conventionally, using 0.5 mg/mL chitosan, were 250 ± 27 nm with +29.8 ± 8 mV charge. Using similar parameters, the microreactor yielded small size particles (154 ± 20 nm) at optimized flow rate of 400 μL/min. Further optimization at 0.4 mg/mL chitosan concentration yielded particles (130 ± 9 nm) with higher charge (+39.8 ± 5 mV). The well-controlled microreactor-based mixing generated highly monodisperse particles with tunable properties including antifungal drug entrapment (80%), release rate, and effective activity (MIC, 1 μg/mL) against Candida.

Globally linearized control on diabatic continuous stirred tank reactor: a case study.

PubMed

Jana, Amiya Kumar; Samanta, Amar Nath; Ganguly, Saibal

2005-07-01

This paper focuses on the promise of globally linearized control (GLC) structure in the realm of strongly nonlinear reactor system control. The proposed nonlinear control strategy is comprised of: (i) an input-output linearizing state feedback law (transformer), (ii) a state observer, and (iii) an external linear controller. The synthesis of discrete-time GLC controller for single-input single-output diabatic continuous stirred tank reactor (DCSTR) has been studied first, followed by the synthesis of feedforward/feedback controller for the same reactor having dead time in process as well as in disturbance. Subsequently, the multivariable GLC structure has been designed and then applied on multi-input multi-output DCSTR system. The simulation study shows high quality performance of the derived nonlinear controllers. The better-performed GLC in conjunction with reduced-order observer has been compared with the conventional proportional integral controller on the example reactor and superior performance has been achieved by the proposed GLC control scheme.

Process optimization using combinatorial design principles: parallel synthesis and design of experiment methods.

PubMed

Gooding, Owen W

2004-06-01

The use of parallel synthesis techniques with statistical design of experiment (DoE) methods is a powerful combination for the optimization of chemical processes. Advances in parallel synthesis equipment and easy to use software for statistical DoE have fueled a growing acceptance of these techniques in the pharmaceutical industry. As drug candidate structures become more complex at the same time that development timelines are compressed, these enabling technologies promise to become more important in the future.

Metal Ion-Catalyzed Alcoholysis as a Strategy for the High Loading Destruction of Chemical Warfare Organophosphorus Agents

DTIC Science & Technology

2013-11-01

products was developed. At the core of the strategy was the use of the thionyl chloride reaction (shown above) for the synthesis of the G agent simulant...The synthesis diverges at the chloridate stage, where instead of conversion to the fluoride derivative, conversion to the mixed ester is accomplished...12 6.2 Synthesis of Product Standards ........................................................................14 6.3

Microgravity isolation system design: A modern control synthesis framework

NASA Technical Reports Server (NTRS)

Hampton, R. D.; Knospe, C. R.; Allaire, P. E.; Grodsinsky, C. M.

1994-01-01

Manned orbiters will require active vibration isolation for acceleration-sensitive microgravity science experiments. Since umbilicals are highly desirable or even indispensable for many experiments, and since their presence greatly affects the complexity of the isolation problem, they should be considered in control synthesis. In this paper a general framework is presented for applying extended H2 synthesis methods to the three-dimensional microgravity isolation problem. The methodology integrates control and state frequency weighting and input and output disturbance accommodation techniques into the basic H2 synthesis approach. The various system models needed for design and analysis are also presented. The paper concludes with a discussion of a general design philosophy for the microgravity vibration isolation problem.

Microgravity isolation system design: A modern control synthesis framework

NASA Technical Reports Server (NTRS)

Hampton, R. D.; Knospe, C. R.; Allaire, P. E.; Grodsinsky, C. M.

1994-01-01

Manned orbiters will require active vibration isolation for acceleration-sensitive microgravity science experiments. Since umbilicals are highly desirable or even indispensable for many experiments, and since their presence greatly affects the complexity of the isolation problem, they should be considered in control synthesis. A general framework is presented for applying extended H2 synthesis methods to the three-dimensional microgravity isolation problem. The methodology integrates control and state frequency weighting and input and output disturbance accommodation techniques into the basic H2 synthesis approach. The various system models needed for design and analysis are also presented. The paper concludes with a discussion of a general design philosophy for the microgravity vibration isolation problem.

Synthesis, Decomposition and Characterization of Fe and Ni Sulfides and Fe and CO Nanoparticles for Aerospace Applications

NASA Technical Reports Server (NTRS)

Cowen, Jonathan E.; Hepp, Aloysius F.; Duffy, Norman V.; Jose, Melanie J.; Choi, D. B.; Brothers, Scott M.; Baird, Michael F.; Tomsik, Thomas M.; Duraj, Stan A.; Williams, Jennifer N.;

The evolution of the protein synthesis system. I - A model of a primitive protein synthesis system

NASA Technical Reports Server (NTRS)

Mizutani, H.; Ponnamperuma, C.

1977-01-01

A model is developed to describe the evolution of the protein synthesis system. The model is comprised of two independent autocatalytic systems, one including one gene (A-gene) and two activated amino acid polymerases (O and A-polymerases), and the other including the addition of another gene (N-gene) and a nucleotide polymerase. Simulation results have suggested that even a small enzymic activity and polymerase specificity could lead the system to the most accurate protein synthesis, as far as permitted by transitions to systems with higher accuracy.

An IP-Based Software System for Real-time, Closed Loop, Multi-Spacecraft Mission Simulations

NASA Technical Reports Server (NTRS)

Cary, Everett; Davis, George; Higinbotham, John; Burns, Richard; Hogie, Keith; Hallahan, Francis

2003-01-01

This viewgraph presentation provides information on the architecture of a computerized testbest for simulating Distributed Space Systems (DSS) for controlling spacecraft flying in formation. The presentation also discusses and diagrams the Distributed Synthesis Environment (DSE) for simulating and planning DSS missions.

Effects of pH and Redox Gradients on Prebiotic Organic Synthesis and the Generation of Free Energy in Simulated Hydrothermal Systems

NASA Astrophysics Data System (ADS)

Barge, L. M.; Flores, E.; Abedian, Y.; Maltais, T.; Cameron, R.; Hermis, N.; Chin, K.; Russell, M. J.; Baum, M. M.

2017-07-01

Hydrothermal minerals in alkaline vents can promote phosphorus and organic concentration, redox reactions driven by catalytic metal sulfides, and the ambient pH and redox gradients can affect the synthesis of organics.

Expediting analog design retargeting by design knowledge re-use and circuit synthesis: a practical example on a Delta-Sigma modulator

NASA Astrophysics Data System (ADS)

Webb, Matthew; Tang, Hua

2016-08-01

In the past decade or two, due to constant and rapid technology changes, analog design re-use or design retargeting to newer technologies has been brought to the table in order to expedite the design process and improve time-to-market. If properly conducted, analog design retargeting could significantly cut down design cycle compared to designs starting from the scratch. In this article, we present an empirical and general method for efficient analog design retargeting by design knowledge re-use and circuit synthesis (CS). The method first identifies circuit blocks that compose the source system and extracts the performance parameter specifications of each circuit block. Then, for each circuit block, it scales the values of design variables (DV) from the source design to derive an initial design in the target technology. Depending on the performance of this initial target design, a design space is defined for synthesis. Subsequently, each circuit block is automatically synthesised using state-of-art analog synthesis tools based on a combination of global and local optimisation techniques to achieve comparable performance specifications to those extracted from the source system. Finally, the overall system is composed of those synthesised circuit blocks in the target technology. We illustrate the method using a practical example of a complex Delta-Sigma modulator (DSM) circuit.

Spectrum synthesis for a spectrally tunable light source based on a DMD-convex grating Offner configuration

NASA Astrophysics Data System (ADS)

Ma, Suodong; Pan, Qiao; Shen, Weimin

2016-09-01

As one kind of light source simulation devices, spectrally tunable light sources are able to generate specific spectral shape and radiant intensity outputs according to different application requirements, which have urgent demands in many fields of the national economy and the national defense industry. Compared with the LED-type spectrally tunable light source, the one based on a DMD-convex grating Offner configuration has advantages of high spectral resolution, strong digital controllability, high spectrum synthesis accuracy, etc. As a key link of the above type light source to achieve target spectrum outputs, spectrum synthesis algorithm based on spectrum matching is therefore very important. An improved spectrum synthesis algorithm based on linear least square initialization and Levenberg-Marquardt iterative optimization is proposed in this paper on the basis of in-depth study of the spectrum matching principle. The effectiveness of the proposed method is verified by a series of simulations and experimental works.

A Review on Breathing Behaviors of Metal-Organic-Frameworks (MOFs) for Gas Adsorption

PubMed Central

Alhamami, Mays; Doan, Huu; Cheng, Chil-Hung

2014-01-01

Metal-organic frameworks (MOFs) are a new class of microporous materials that possess framework flexibility, large surface areas, “tailor-made” framework functionalities, and tunable pore sizes. These features empower MOFs superior performances and broader application spectra than those of zeolites and phosphine-based molecular sieves. In parallel with designing new structures and new chemistry of MOFs, the observation of unique breathing behaviors upon adsorption of gases or solvents stimulates their potential applications as host materials in gas storage for renewable energy. This has attracted intense research energy to understand the causes at the atomic level, using in situ X-ray diffraction, calorimetry, Fourier transform infrared spectroscopy, and molecular dynamics simulations. This article is developed in the following order: first to introduce the definition of MOFs and the observation of their framework flexibility. Second, synthesis routes of MOFs are summarized with the emphasis on the hydrothermal synthesis, owing to the environmental-benign and economically availability of water. Third, MOFs exhibiting breathing behaviors are summarized, followed by rationales from thermodynamic viewpoint. Subsequently, effects of various functionalities on breathing behaviors are appraised, including using post-synthetic modification routes. Finally, possible framework spatial requirements of MOFs for yielding breathing behaviors are highlighted as the design strategies for new syntheses. PMID:28788614

Inverse problem analysis for identification of reaction kinetics constants in microreactors for biodiesel synthesis

NASA Astrophysics Data System (ADS)

Pontes, P. C.; Naveira-Cotta, C. P.

2016-09-01

The theoretical analysis for the design of microreactors in biodiesel production is a complicated task due to the complex liquid-liquid flow and mass transfer processes, and the transesterification reaction that takes place within these microsystems. Thus, computational simulation is an important tool that aids in understanding the physical-chemical phenomenon and, consequently, in determining the suitable conditions that maximize the conversion of triglycerides during the biodiesel synthesis. A diffusive-convective-reactive coupled nonlinear mathematical model, that governs the mass transfer process during the transesterification reaction in parallel plates microreactors, under isothermal conditions, is here described. A hybrid numerical-analytical solution via the Generalized Integral Transform Technique (GITT) for this partial differential system is developed and the eigenfunction expansions convergence rates are extensively analyzed and illustrated. The heuristic method of Particle Swarm Optimization (PSO) is applied in the inverse analysis of the proposed direct problem, to estimate the reaction kinetics constants, which is a critical step in the design of such microsystems. The results present a good agreement with the limited experimental data in the literature, but indicate that the GITT methodology combined with the PSO approach provide a reliable computational algorithm for direct-inverse analysis in such reactive mass transfer problems.

Reverse engineering biomolecular systems using -omic data: challenges, progress and opportunities.

PubMed

Quo, Chang F; Kaddi, Chanchala; Phan, John H; Zollanvari, Amin; Xu, Mingqing; Wang, May D; Alterovitz, Gil

2012-07-01

Recent advances in high-throughput biotechnologies have led to the rapid growing research interest in reverse engineering of biomolecular systems (REBMS). 'Data-driven' approaches, i.e. data mining, can be used to extract patterns from large volumes of biochemical data at molecular-level resolution while 'design-driven' approaches, i.e. systems modeling, can be used to simulate emergent system properties. Consequently, both data- and design-driven approaches applied to -omic data may lead to novel insights in reverse engineering biological systems that could not be expected before using low-throughput platforms. However, there exist several challenges in this fast growing field of reverse engineering biomolecular systems: (i) to integrate heterogeneous biochemical data for data mining, (ii) to combine top-down and bottom-up approaches for systems modeling and (iii) to validate system models experimentally. In addition to reviewing progress made by the community and opportunities encountered in addressing these challenges, we explore the emerging field of synthetic biology, which is an exciting approach to validate and analyze theoretical system models directly through experimental synthesis, i.e. analysis-by-synthesis. The ultimate goal is to address the present and future challenges in reverse engineering biomolecular systems (REBMS) using integrated workflow of data mining, systems modeling and synthetic biology.

Synthesis of Optimal Constant-Gain Positive-Real Controllers for Passive Systems

NASA Technical Reports Server (NTRS)

Mao, Y.; Kelkar, A. G.; Joshi, S. M.

1999-01-01

This paper presents synthesis methods for the design of constant-gain positive real controllers for passive systems. The results presented in this paper, in conjunction with the previous work by the authors on passification of non-passive systems, offer a useful synthesis tool for the design of passivity-based robust controllers for non-passive systems as well. Two synthesis approaches are given for minimizing an LQ-type performance index, resulting in optimal controller gains. Two separate algorithms, one for each of these approaches, are given. The synthesis techniques are demonstrated using two numerical examples: control of a flexible structure and longitudinal control of a fighter aircraft.

Research on Intelligent Synthesis Environments

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Lobeck, William E.

2002-01-01

Four research activities related to Intelligent Synthesis Environment (ISE) have been performed under this grant. The four activities are: 1) non-deterministic approaches that incorporate technologies such as intelligent software agents, visual simulations and other ISE technologies; 2) virtual labs that leverage modeling, simulation and information technologies to create an immersive, highly interactive virtual environment tailored to the needs of researchers and learners; 3) advanced learning modules that incorporate advanced instructional, user interface and intelligent agent technologies; and 4) assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments.

Research on Intelligent Synthesis Environments

NASA Astrophysics Data System (ADS)

Noor, Ahmed K.; Loftin, R. Bowen

2002-12-01

Four research activities related to Intelligent Synthesis Environment (ISE) have been performed under this grant. The four activities are: 1) non-deterministic approaches that incorporate technologies such as intelligent software agents, visual simulations and other ISE technologies; 2) virtual labs that leverage modeling, simulation and information technologies to create an immersive, highly interactive virtual environment tailored to the needs of researchers and learners; 3) advanced learning modules that incorporate advanced instructional, user interface and intelligent agent technologies; and 4) assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments.

Fuel-conservative guidance system for powered-lift aircraft

NASA Technical Reports Server (NTRS)

Erzberger, H.; Mclean, J. D.

1979-01-01

A concept for automatic terminal area guidance, comprising two modes of operation, was developed and evaluated in flight tests. In the predictive mode, fuel efficient approach trajectories are synthesized in fast time. In the tracking mode, the synthesized trajectories are reconstructed and tracked automatically. An energy rate performance model derived from the lift, drag, and propulsion system characteristics of the aircraft is used in the synthesis algorithm. The method optimizes the trajectory for the initial aircraft position and wind and temperature profiles encountered during each landing approach. The design theory and the results of simulations and flight tests using the Augmentor Wing Jet STOL Research Aircraft are described.

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

Zitney, S.E.

Emerging fossil energy power generation systems must operate with unprecedented efficiency and near-zero emissions, while optimizing profitably amid cost fluctuations for raw materials, finished products, and energy. To help address these challenges, the fossil energy industry will have to rely increasingly on the use advanced computational tools for modeling and simulating complex process systems. In this paper, we present the computational research challenges and opportunities for the optimization of fossil energy power generation systems across the plant lifecycle from process synthesis and design to plant operations. We also look beyond the plant gates to discuss research challenges and opportunities formore » enterprise-wide optimization, including planning, scheduling, and supply chain technologies.« less

Gravimetric chemical sensors based on silica-based mesoporous organic-inorganic hybrids.

PubMed

Xu, Jiaqiang; Zheng, Qi; Zhu, Yongheng; Lou, Huihui; Xiang, Qun; Cheng, Zhixuan

2014-09-01

Silica-based mesoporous organic-inorganic hybrid material modified quartz crystal microbalance (QCM) sensors have been examined for their ability to achieve highly sensitive and selective detection. Mesoporous silica SBA-15 serves as an inorganic host with large specific surface area, facilitating gas adsorption, and thus leads to highly sensitive response; while the presence of organic functional groups contributes to the greatly improved specific sensing property. In this work, we summarize our efforts in the rational design and synthesis of novel sensing materials for the detection of hazardous substances, including simulant nerve agent, organic vapor, and heavy metal ion, and develop high-performance QCM-based chemical sensors.

RBAP, a rhodamine B-based derivative: synthesis, crystal structure analysis, molecular simulation, and its application as a selective fluorescent chemical sensor for Sn2+.

PubMed

Bao, Xiaofeng; Cao, Xiaowei; Nie, Xuemei; Jin, Yanyan; Zhou, Baojing

2014-06-11

A new fluorescent chemosensor based on a Rhodamine B and a benzyl 3-aminopropanoate conjugate (RBAP) was designed, synthesized, and structurally characterized. Its single crystal structure was obtained and analyzed by X-ray analysis. In a MeOH/H2O (2:3, v/v, pH 5.95) solution RBAP exhibits a high selectivity and excellent sensitivity for Sn2+ ions in the presence of many other metal cations. The binding analysis using the Job's plot suggested the RBAP formed a 1:1 complex with Sn2+.

A simplified calculation procedure for mass isotopomer distribution analysis (MIDA) based on multiple linear regression.

PubMed

Fernández-Fernández, Mario; Rodríguez-González, Pablo; García Alonso, J Ignacio

2016-10-01

We have developed a novel, rapid and easy calculation procedure for Mass Isotopomer Distribution Analysis based on multiple linear regression which allows the simultaneous calculation of the precursor pool enrichment and the fraction of newly synthesized labelled proteins (fractional synthesis) using linear algebra. To test this approach, we used the peptide RGGGLK as a model tryptic peptide containing three subunits of glycine. We selected glycine labelled in two 13 C atoms ( 13 C 2 -glycine) as labelled amino acid to demonstrate that spectral overlap is not a problem in the proposed methodology. The developed methodology was tested first in vitro by changing the precursor pool enrichment from 10 to 40% of 13 C 2 -glycine. Secondly, a simulated in vivo synthesis of proteins was designed by combining the natural abundance RGGGLK peptide and 10 or 20% 13 C 2 -glycine at 1 : 1, 1 : 3 and 3 : 1 ratios. Precursor pool enrichments and fractional synthesis values were calculated with satisfactory precision and accuracy using a simple spreadsheet. This novel approach can provide a relatively rapid and easy means to measure protein turnover based on stable isotope tracers. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Bone fracture healing in mechanobiological modeling: A review of principles and methods.

PubMed

Ghiasi, Mohammad S; Chen, Jason; Vaziri, Ashkan; Rodriguez, Edward K; Nazarian, Ara

2017-06-01

Bone fracture is a very common body injury. The healing process is physiologically complex, involving both biological and mechanical aspects. Following a fracture, cell migration, cell/tissue differentiation, tissue synthesis, and cytokine and growth factor release occur, regulated by the mechanical environment. Over the past decade, bone healing simulation and modeling has been employed to understand its details and mechanisms, to investigate specific clinical questions, and to design healing strategies. The goal of this effort is to review the history and the most recent work in bone healing simulations with an emphasis on both biological and mechanical properties. Therefore, we provide a brief review of the biology of bone fracture repair, followed by an outline of the key growth factors and mechanical factors influencing it. We then compare different methodologies of bone healing simulation, including conceptual modeling (qualitative modeling of bone healing to understand the general mechanisms), biological modeling (considering only the biological factors and processes), and mechanobiological modeling (considering both biological aspects and mechanical environment). Finally we evaluate different components and clinical applications of bone healing simulation such as mechanical stimuli, phases of bone healing, and angiogenesis.

On-chip visual perception of motion: a bio-inspired connectionist model on FPGA.

PubMed

Torres-Huitzil, César; Girau, Bernard; Castellanos-Sánchez, Claudio

2005-01-01

Visual motion provides useful information to understand the dynamics of a scene to allow intelligent systems interact with their environment. Motion computation is usually restricted by real time requirements that need the design and implementation of specific hardware architectures. In this paper, the design of hardware architecture for a bio-inspired neural model for motion estimation is presented. The motion estimation is based on a strongly localized bio-inspired connectionist model with a particular adaptation of spatio-temporal Gabor-like filtering. The architecture is constituted by three main modules that perform spatial, temporal, and excitatory-inhibitory connectionist processing. The biomimetic architecture is modeled, simulated and validated in VHDL. The synthesis results on a Field Programmable Gate Array (FPGA) device show the potential achievement of real-time performance at an affordable silicon area.

Design, synthesis, biological evaluation, and molecular modeling studies of chalcone-rivastigmine hybrids as cholinesterase inhibitors.

PubMed

Wang, Ling; Wang, Yu; Tian, Yiguang; Shang, Jinling; Sun, Xiaoou; Chen, Hongzhuan; Wang, Hao; Tan, Wen

2017-01-01

A series of novel chalcone-rivastigmine hybrids were designed, synthesized, and tested in vitro for their ability to inhibit human acetylcholinesterase and butyrylcholinesterase. Most of the target compounds showed hBChE selective activity in the micro- and submicromolar ranges. The most potent compound 3 exhibited comparable IC 50 to the commercially available drug (rivastigmine). To better understand their structure activity relationships (SAR) and mechanisms of enzyme-inhibitor interactions, kinetic and molecular modeling studies including molecular docking and molecular dynamics (MD) simulations were carried out. Furthermore, compound 3 blocks the formation of reactive oxygen species (ROS) in SH-SY5Y cells and shows the required druggability and low cytotoxicity, suggesting this hybrid is a promising multifunctional drug candidate for Alzheimer's disease (AD) treatment. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Low-Complexity Euclidean Orthogonal LDPC Architecture for Low Power Applications.

PubMed

Revathy, M; Saravanan, R

2015-01-01

Low-density parity-check (LDPC) codes have been implemented in latest digital video broadcasting, broadband wireless access (WiMax), and fourth generation of wireless standards. In this paper, we have proposed a high efficient low-density parity-check code (LDPC) decoder architecture for low power applications. This study also considers the design and analysis of check node and variable node units and Euclidean orthogonal generator in LDPC decoder architecture. The Euclidean orthogonal generator is used to reduce the error rate of the proposed LDPC architecture, which can be incorporated between check and variable node architecture. This proposed decoder design is synthesized on Xilinx 9.2i platform and simulated using Modelsim, which is targeted to 45 nm devices. Synthesis report proves that the proposed architecture greatly reduces the power consumption and hardware utilizations on comparing with different conventional architectures.

Four experimental demonstrations of active vibration control for flexible structures

NASA Technical Reports Server (NTRS)

Phillips, Doug; Collins, Emmanuel G., Jr.

1990-01-01

Laboratory experiments designed to test prototype active-vibration-control systems under development for future flexible space structures are described, summarizing previously reported results. The control-synthesis technique employed for all four experiments was the maximum-entropy optimal-projection (MEOP) method (Bernstein and Hyland, 1988). Consideration is given to: (1) a pendulum experiment on large-amplitude LF dynamics; (2) a plate experiment on broadband vibration suppression in a two-dimensional structure; (3) a multiple-hexagon experiment combining the factors studied in (1) and (2) to simulate the complexity of a large space structure; and (4) the NASA Marshall ACES experiment on a lightweight deployable 45-foot beam. Extensive diagrams, drawings, graphs, and photographs are included. The results are shown to validate the MEOP design approach, demonstrating that good performance is achievable using relatively simple low-order decentralized controllers.

The Hermod Behavioral Synthesis System

DTIC Science & Technology

1988-06-08

LDescription 1 lib tech-independent Transformation & Parser Optimization lib Hardware • g - utSynhesze Generator li Datapath lb Hardware liCotllb...Proc. 22nd Design Automation Conference, ACM/IEEE, June 1985, pp. 475-481. [7] G . De Micheli, "Synthesis of Control Systems", in Design Systems for...VLSI Circuits: Logic Synthesis and Silicon Compilation, G . De Micheli, A. Sangiovanni-Vincentelli, and P. Antognetti, (editor), Martinus Nijhoff

Samarium Diiodide-Mediated Reactions in Total Synthesis

PubMed Central

Nicolaou, K. C.; Ellery, Shelby P.; Chen, Jason S.

2009-01-01

Introduced by Henri Kagan more than three decades ago, samarium diiodide (SmI2) has found increasing applications in chemical synthesis. This single-electron reducing agent has been particularly useful in C–C bond formations, including those found in total synthesis endeavors. This Review highlights selected applications of SmI2 in total synthesis, with special emphasis on novel transformations and mechanistic considerations. The examples discussed are both illustrative of the power of this reagent in complex molecule construction and inspirational for the design of synthetic strategies toward such targets, both natural and designed. PMID:19714695

Application of advanced multidisciplinary analysis and optimization methods to vehicle design synthesis

NASA Technical Reports Server (NTRS)

Consoli, Robert David; Sobieszczanski-Sobieski, Jaroslaw

1990-01-01

Advanced multidisciplinary analysis and optimization methods, namely system sensitivity analysis and non-hierarchical system decomposition, are applied to reduce the cost and improve the visibility of an automated vehicle design synthesis process. This process is inherently complex due to the large number of functional disciplines and associated interdisciplinary couplings. Recent developments in system sensitivity analysis as applied to complex non-hierarchic multidisciplinary design optimization problems enable the decomposition of these complex interactions into sub-processes that can be evaluated in parallel. The application of these techniques results in significant cost, accuracy, and visibility benefits for the entire design synthesis process.

Behavioral study and design of a digital interpolator filter for wireless reconfigurable transmitters

NASA Astrophysics Data System (ADS)

Ferragina, V.; Frassone, A.; Ghittori, N.; Malcovati, P.; Vigna, A.

2005-06-01

The behavioral analysis and the design in a 0.13 μm CMOS technology of a digital interpolator filter for wireless applications are presented. The proposed block is designed to be embedded in the baseband part of a reconfigurable transmitter (WLAN 802.11a, UMTS) to operate as a sampling frequency boost between the digital signal processor (DSP) and the digital-to-analog converter (DAC). In recent trends the DAC of such transmitters usually operates at high conversion frequencies (to allow a relaxed implementation of the following analog reconstruction filter), while the DSP output flows at low frequencies (typically Nyquist rate). Thus a block able to increase the digital data rate, like the one proposed, is needed before the DAC. For example, in the WLAN case, an interpolation factor of 4 has been used, allowing the digital data frequency to raise from 20 MHz to 80 MHz. Using a time-domain model of the TX chain, a behavioral analysis has been performed to determine the impact of the filter performance on the quality of the signal at the antenna. This study has led to the evaluation of the z-domain filter transfer function, together with the specifications concerning a finite precision implementation. A VHDL description has allowed an automatic synthesis of the circuit in a 0.13 μm CMOS technology (with a supply voltage of 1.2 V). Post-synthesis simulations have confirmed the effectiveness of the proposed study.

The Design of Future Airbreathing Engine Systems within an Intelligent Synthesis Environment

NASA Technical Reports Server (NTRS)

Malone, J. B.; Housner, J. M.; Lytle, J. K.

1999-01-01

This paper describes a new Initiative proposed by the National Aeronautics and Space Administration (NASA). The purpose of this initiative is to develop a future design environment for engineering and science mission synthesis for use by NASA scientists and engineers. This new initiative is called the Intelligent Synthesis Environment (ISE). The paper describes the mission of NASA, future aerospace system characteristics, the current engineering design process, the ISE concept, and concludes with a description of possible ISE applications for the decision of air-breathing propulsion systems.

Streamlined Total Synthesis of Trioxacarcins and Its Application to the Design, Synthesis, and Biological Evaluation of Analogues Thereof. Discovery of Simpler Designed and Potent Trioxacarcin Analogues.

PubMed

Nicolaou, K C; Chen, Pengxi; Zhu, Shugao; Cai, Quan; Erande, Rohan D; Li, Ruofan; Sun, Hongbao; Pulukuri, Kiran Kumar; Rigol, Stephan; Aujay, Monette; Sandoval, Joseph; Gavrilyuk, Julia

2017-11-01

A streamlined total synthesis of the naturally occurring antitumor agents trioxacarcins is described, along with its application to the construction of a series of designed analogues of these complex natural products. Biological evaluation of the synthesized compounds revealed a number of highly potent, and yet structurally simpler, compounds that are effective against certain cancer cell lines, including a drug-resistant line. A novel one-step synthesis of anthraquinones and chloro anthraquinones from simple ketone precursors and phenylselenyl chloride is also described. The reported work, featuring novel chemistry and cascade reactions, has potential applications in cancer therapy, including targeted approaches as in antibody-drug conjugates.

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis

NASA Astrophysics Data System (ADS)

Hassan, M. A.; Mahmoodian, Reza; Hamdi, M.

2014-01-01

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration.

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis

PubMed Central

Hassan, M. A.; Mahmoodian, Reza; Hamdi, M.

2014-01-01

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration. PMID:24430621

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis.

PubMed

Hassan, M A; Mahmoodian, Reza; Hamdi, M

2014-01-16

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration.

A model-data comparison of gross primary productivity: Results from the North American Carbon Program site synthesis

Treesearch

Kevin Schaefer; Christopher R. Schwalm; Chris Williams; M. Altaf Arain; Alan Barr; Jing M. Chen; Kenneth J. Davis; Dimitre Dimitrov; Timothy W. Hilton; David Y. Hollinger; Elyn Humphreys; Benjamin Poulter; Brett M. Raczka; Andrew D. Richardson; Alok Sahoo; Peter Thornton; Rodrigo Vargas; Hans Verbeeck; Ryan Anderson; Ian Baker; T. Andrew Black; Paul Bolstad; Jiquan Chen; Peter S. Curtis; Ankur R. Desai; Michael Dietze; Danilo Dragoni; Christopher Gough; Robert F. Grant; Lianhong Gu; Atul Jain; Chris Kucharik; Beverly Law; Shuguang Liu; Erandathie Lokipitiya; Hank A. Margolis; Roser Matamala; J. Harry McCaughey; Russ Monson; J. William Munger; Walter Oechel; Changhui Peng; David T. Price; Dan Ricciuto; William J. Riley; Nigel Roulet; Hanqin Tian; Christina Tonitto; Margaret Torn; Ensheng Weng; Xiaolu Zhou

2012-01-01

Accurately simulating gross primary productivity (GPP) in terrestrial ecosystem models is critical because errors in simulated GPP propagate through the model to introduce additional errors in simulated biomass and other fluxes. We evaluated simulated, daily average GPP from 26 models against estimated GPP at 39 eddy covariance flux tower sites across the United States...

Application of modern control design methodology to oblique wing research aircraft

NASA Technical Reports Server (NTRS)

Vincent, James H.

1991-01-01

A Linear Quadratic Regulator synthesis technique was used to design an explicit model following control system for the Oblique Wing Research Aircraft (OWRA). The forward path model (Maneuver Command Generator) was designed to incorporate the desired flying qualities and response decoupling. The LQR synthesis was based on the use of generalized controls, and it was structured to provide a proportional/integral error regulator with feedforward compensation. An unexpected consequence of this design approach was the ability to decouple the control synthesis into separate longitudinal and lateral directional designs. Longitudinal and lateral directional control laws were generated for each of the nine design flight conditions, and gain scheduling requirements were addressed. A fully coupled 6 degree of freedom open loop model of the OWRA along with the longitudinal and lateral directional control laws was used to assess the closed loop performance of the design. Evaluations were performed for each of the nine design flight conditions.

Dynamic load synthesis for shock numerical simulation in space structure design

NASA Astrophysics Data System (ADS)

Monti, Riccardo; Gasbarri, Paolo

2017-08-01

Pyroshock loads are the most stressing environments that a space equipment experiences during its operating life from a mechanical point of view. In general, the mechanical designer considers the pyroshock analysis as a very demanding constraint. Unfortunately, due to the non-linear behaviour of the structure under such loads, only the experimental tests can demonstrate if it is able to withstand these dynamic loads. By taking all the previous considerations into account, some preliminary information about the design correctness could be done by performing ;ad-hoc; numerical simulations, for example via commercial finite element software (i.e. MSC Nastran). Usually these numerical tools face the shock solution in two ways: 1) a direct mode, by using a time dependent enforcement and by evaluating the time-response and space-response as well as the internal forces; 2) a modal basis approach, by considering a frequency dependent load and of course by evaluating internal forces in the frequency domain. This paper has the main aim to develop a numerical tool to synthetize the time dependent enforcement based on deterministic and/or genetic algorithm optimisers. In particular starting from a specified spectrum in terms of SRS (Shock Response Spectrum) a time dependent discrete function, typically an acceleration profile, will be obtained to force the equipment by simulating the shock event. The synthetizing time and the interface with standards numerical codes will be two of the main topics dealt with in the paper. In addition a congruity and consistency methodology will be presented to ensure that the identified time dependent loads fully match the specified spectrum.

A decentralized linear quadratic control design method for flexible structures

NASA Technical Reports Server (NTRS)

Su, Tzu-Jeng; Craig, Roy R., Jr.

1990-01-01

A decentralized suboptimal linear quadratic control design procedure which combines substructural synthesis, model reduction, decentralized control design, subcontroller synthesis, and controller reduction is proposed for the design of reduced-order controllers for flexible structures. The procedure starts with a definition of the continuum structure to be controlled. An evaluation model of finite dimension is obtained by the finite element method. Then, the finite element model is decomposed into several substructures by using a natural decomposition called substructuring decomposition. Each substructure, at this point, still has too large a dimension and must be reduced to a size that is Riccati-solvable. Model reduction of each substructure can be performed by using any existing model reduction method, e.g., modal truncation, balanced reduction, Krylov model reduction, or mixed-mode method. Then, based on the reduced substructure model, a subcontroller is designed by an LQ optimal control method for each substructure independently. After all subcontrollers are designed, a controller synthesis method called substructural controller synthesis is employed to synthesize all subcontrollers into a global controller. The assembling scheme used is the same as that employed for the structure matrices. Finally, a controller reduction scheme, called the equivalent impulse response energy controller (EIREC) reduction algorithm, is used to reduce the global controller to a reasonable size for implementation. The EIREC reduced controller preserves the impulse response energy of the full-order controller and has the property of matching low-frequency moments and low-frequency power moments. An advantage of the substructural controller synthesis method is that it relieves the computational burden associated with dimensionality. Besides that, the SCS design scheme is also a highly adaptable controller synthesis method for structures with varying configuration, or varying mass and stiffness properties.

Simulation-based bronchoscopy training: systematic review and meta-analysis.

PubMed

Kennedy, Cassie C; Maldonado, Fabien; Cook, David A

2013-07-01

Simulation-based bronchoscopy training is increasingly used, but effectiveness remains uncertain. We sought to perform a comprehensive synthesis of published work on simulation-based bronchoscopy training. We searched MEDLINE, EMBASE, CINAHL, PsycINFO, ERIC, Web of Science, and Scopus for eligible articles through May 11, 2011. We included all original studies involving health professionals that evaluated, in comparison with no intervention or an alternative instructional approach, simulation-based training for flexible or rigid bronchoscopy. Study selection and data abstraction were performed independently and in duplicate. We pooled results using random effects meta-analysis. From an initial pool of 10,903 articles, we identified 17 studies evaluating simulation-based bronchoscopy training. In comparison with no intervention, simulation training was associated with large benefits on skills and behaviors (pooled effect size, 1.21 [95% CI, 0.82-1.60]; n=8 studies) and moderate benefits on time (0.62 [95% CI, 0.12-1.13]; n=7). In comparison with clinical instruction, behaviors with real patients showed nonsignificant effects favoring simulation for time (0.61 [95% CI, -1.47 to 2.69]) and process (0.33 [95% CI, -1.46 to 2.11]) outcomes (n=2 studies each), although variation in training time might account for these differences. Four studies compared alternate simulation-based training approaches. Inductive analysis to inform instructional design suggested that longer or more structured training is more effective, authentic clinical context adds value, and animal models and plastic part-task models may be superior to more costly virtual-reality simulators. Simulation-based bronchoscopy training is effective in comparison with no intervention. Comparative effectiveness studies are few.

Fabrication of W-Cu alloy via combustion synthesis infiltration under an ultra-gravity field

NASA Astrophysics Data System (ADS)

Song, Yuepeng; Li, Qian; Li, Jiangtao; He, Gang; Chen, Yixiang; Kim, Hyoung Seop

2014-11-01

Tungsten copper alloy with a tungsten concentrate of 70 vol% was prepared by self-propagating high-temperature synthesis in an ultra-gravity field. The phase structures and components of the W-Cu alloy fabricated via this approach were the same as those via traditional sintering methods. The temperature and stress distributions during this process were simulated using a new scheme of the finite element method. The results indicated that nonequilibrium crystallization conditions can be created for combustion synthesis infiltration in an ultra-gravity field by the rapid infiltration of the liquid copper product into the tungsten compact at high temperature and low viscosity. The cooling rate can be above 100,000 K/s and high stresses in tungsten ( 5 GPa) and copper ( 2.6 GPa) were developed, which passivates the tungsten particle surface, resulting in easy sintering and densifying the W-Cu alloy. The reliability of the simulation was verified through temperature measurement and investigation of the microstructure. The W-Cu composite-formation mechanism was also analyzed and discussed with the simulation results.

Highly Efficient Flexible Hybrid Photovoltaic Cells Based on Low-Band-Gap Conjugated Polymers Sensitized by Nanoparticle-Grafted Carbon

DTIC Science & Technology

2010-09-01

modeling, synthesis , and characterization of several series functional and processable electro-active conjugated polymers with evolving frontier...tasks as a basic obligation of this award: Task #1. Low Band Gap Polymers The awardee (Professor Sun’s group at NSU) shall design, synthesis , and...design, modeling, synthesis , and characterizations of several series functional and processable electro-active conjugated polymers with evolving

Numerical analysis of hydrodynamics in a rotor-stator reactor for biodiesel synthesis

NASA Astrophysics Data System (ADS)

Wen, Zhuqing; Petera, Jerzy

2016-06-01

A rotor-stator spinning disk reactor for intensified biodiesel synthesis is described and numerically simulated. The reactor consists of two flat disks, located coaxially and parallel to each other with a gap ranging from 0.1 mm to 0.2 mm between the disks. The upper disk is located on a rotating shaft while the lower disk is stationary. The feed liquids, triglycerides (TG) and methanol are introduced coaxially along the center line of rotating disk and stationary disk, respectively. Fluid hydrodynamics in the reactor for synthesis of biodiesel from TG and methanol in the presence of a sodium hydroxide catalyst are simulated, using convection-diffusion-reaction species transport model by the CFD software ANSYS©Fluent v. 13.0. The effects of upper disk's spinning speed, gap size and flow rates at inlets are evaluated.

Molecular modeling and computational simulation of the photosystem-II reaction center to address isoproturon resistance in Phalaris minor.

PubMed

Singh, Durg Vijay; Agarwal, Shikha; Kesharwani, Rajesh Kumar; Misra, Krishna

2012-08-01

Isoproturon is the only herbicide that can control Phalaris minor, a competitive weed of wheat that developed resistance in 1992. Resistance against isoproturon was reported to be due to a mutation in the psbA gene that encodes the isoproturon-binding D1 protein. Previously in our laboratory, a triazole derivative of isoproturon (TDI) was synthesized and found to be active against both susceptible and resistant biotypes at 0.5 kg/ha but has shown poor specificity. In the present study, both susceptible D1((S)), resistant D1((R)) and D2 proteins of the PS-II reaction center of P. minor have been modeled and simulated, selecting the crystal structure of PS-II from Thermosynechococcus elongatus (2AXT.pdb) as template. Loop regions were refined, and the complete reaction center D1/D2 was simulated with GROMACS in lipid (1-palmitoyl-2-oleoylglycero-3-phosphoglycerol, POPG) environment along with ligands and cofactor. Both S and R models were energy minimized using steepest decent equilibrated with isotropic pressure coupling and temperature coupling using a Berendsen protocol, and subjected to 1,000 ps of MD simulation. As a result of MD simulation, the best model obtained in lipid environment had five chlorophylls, two plastoquinones, two phenophytins and a bicarbonate ion along with cofactor Fe and oxygen evolving center (OEC). The triazole derivative of isoproturon was used as lead molecule for docking. The best worked out conformation of TDI was chosen for receptor-based de novo ligand design. In silico designed molecules were screened and, as a result, only those molecules that show higher docking and binding energies in comparison to isoproturon and its triazole derivative were proposed for synthesis in order to get more potent, non-resistant and more selective TDI analogs.

A hybrid stochastic model of folate-mediated one-carbon metabolism: Effect of the common C677T MTHFR variant on de novo thymidylate biosynthesis.

PubMed

Misselbeck, Karla; Marchetti, Luca; Field, Martha S; Scotti, Marco; Priami, Corrado; Stover, Patrick J

2017-04-11

Folate-mediated one-carbon metabolism (FOCM) is an interconnected network of metabolic pathways, including those required for the de novo synthesis of dTMP and purine nucleotides and for remethylation of homocysteine to methionine. Mouse models of folate-responsive neural tube defects (NTDs) indicate that impaired de novo thymidylate (dTMP) synthesis through changes in SHMT expression is causative in folate-responsive NTDs. We have created a hybrid computational model comprised of ordinary differential equations and stochastic simulation. We investigated whether the de novo dTMP synthesis pathway was sensitive to perturbations in FOCM that are known to be associated with human NTDs. This computational model shows that de novo dTMP synthesis is highly sensitive to the common MTHFR C677T polymorphism and that the effect of the polymorphism on FOCM is greater in folate deficiency. Computational simulations indicate that the MTHFR C677T polymorphism and folate deficiency interact to increase the stochastic behavior of the FOCM network, with the greatest instability observed for reactions catalyzed by serine hydroxymethyltransferase (SHMT). Furthermore, we show that de novo dTMP synthesis does not occur in the cytosol at rates sufficient for DNA replication, supporting empirical data indicating that impaired nuclear de novo dTMP synthesis results in uracil misincorporation into DNA.

RZWQM2 Simulations of Alternative Cropping Systems With and Without Summer Crops in the Central Great Plains

USDA-ARS?s Scientific Manuscript database

Integration and synthesis of data accruing from complex alternative crop rotation experiments across locations and climates is a challenge to agriculturists. System simulation models are potential tools to address this challenge. In this study, we simulated three long-term (1991 to 2008) dryland c...

Case-Crossover Analysis of Air Pollution Health Effects: A Systematic Review of Methodology and Application

PubMed Central

Carracedo-Martínez, Eduardo; Taracido, Margarita; Tobias, Aurelio; Saez, Marc; Figueiras, Adolfo

2010-01-01

Background Case-crossover is one of the most used designs for analyzing the health-related effects of air pollution. Nevertheless, no one has reviewed its application and methodology in this context. Objective We conducted a systematic review of case-crossover (CCO) designs used to study the relationship between air pollution and morbidity and mortality, from the standpoint of methodology and application. Data sources and extraction A search was made of the MEDLINE and EMBASE databases. Reports were classified as methodologic or applied. From the latter, the following information was extracted: author, study location, year, type of population (general or patients), dependent variable(s), independent variable(s), type of CCO design, and whether effect modification was analyzed for variables at the individual level. Data synthesis The review covered 105 reports that fulfilled the inclusion criteria. Of these, 24 addressed methodological aspects, and the remainder involved the design’s application. In the methodological reports, the designs that yielded the best results in simulation were symmetric bidirectional CCO and time-stratified CCO. Furthermore, we observed an increase across time in the use of certain CCO designs, mainly symmetric bidirectional and time-stratified CCO. The dependent variables most frequently analyzed were those relating to hospital morbidity; the pollutants most often studied were those linked to particulate matter. Among the CCO-application reports, 13.6% studied effect modification for variables at the individual level. Conclusions The use of CCO designs has undergone considerable growth; the most widely used designs were those that yielded better results in simulation studies: symmetric bidirectional and time-stratified CCO. However, the advantages of CCO as a method of analysis of variables at the individual level are put to little use. PMID:20356818

Linear-parameter-varying gain-scheduled control of aerospace systems

NASA Astrophysics Data System (ADS)

Barker, Jeffrey Michael

The dynamics of many aerospace systems vary significantly as a function of flight condition. Robust control provides methods of guaranteeing performance and stability goals across flight conditions. In mu-syntthesis, changes to the dynamical system are primarily treated as uncertainty. This method has been successfully applied to many control problems, and here is applied to flutter control. More recently, two techniques for generating robust gain-scheduled controller have been developed. Linear fractional transformation (LFT) gain-scheduled control is an extension of mu-synthesis in which the plant and controller are explicit functions of parameters measurable in real-time. This LFT gain-scheduled control technique is applied to the Benchmark Active Control Technology (BACT) wing, and compared with mu-synthesis control. Linear parameter-varying (LPV) gain-scheduled control is an extension of Hinfinity control to parameter varying systems. LPV gain-scheduled control directly incorporates bounds on the rate of change of the scheduling parameters, and often reduces conservatism inherent in LFT gain-scheduled control. Gain-scheduled LPV control of the BACT wing compares very favorably with the LFT controller. Gain-scheduled LPV controllers are generated for the lateral-directional and longitudinal axes of the Innovative Control Effectors (ICE) aircraft and implemented in nonlinear simulations and real-time piloted nonlinear simulations. Cooper-Harper and pilot-induced oscillation ratings were obtained for an initial design, a reference aircraft and a redesign. Piloted simulation results for the initial LPV gain-scheduled control of the ICE aircraft are compared with results for a conventional fighter aircraft in discrete pitch and roll angle tracking tasks. The results for the redesigned controller are significantly better than both the previous LPV controller and the conventional aircraft.

The solar exposure time required for vitamin D3 synthesis in the human body estimated by numerical simulation and observation in Japan.

PubMed

Miyauchi, Masaatsu; Hirai, Chizuko; Nakajima, Hideaki

2013-01-01

Although the importance of solar radiation for vitamin D3 synthesis in the human body is well known, the solar exposure time required to prevent vitamin D deficiency has not been determined in Japan. This study attempted to identify the time of solar exposure required for vitamin D3 synthesis in the body by season, time of day, and geographic location (Sapporo, Tsukuba, and Naha) using both numerical simulations and observations. According to the numerical simulation for Tsukuba at noon in July under a cloudless sky, 3.5 min of solar exposure are required to produce 5.5 μg vitamin D3 per 600 cm2 skin corresponding to the area of a face and the back of a pair of hands without ingestion from foods. In contrast, it took 76.4 min to produce the same quantity of vitamin D3 at Sapporo in December, at noon under a cloudless sky. The necessary exposure time varied considerably with the time of the day. For Tsukuba at noon in December, 22.4 min were required, but 106.0 min were required at 09:00 and 271.3 min were required at 15:00 for the same meteorological conditions. Naha receives high levels of ultraviolet radiation allowing vitamin D3 synthesis almost throughout the year.

De novo design of recombinant spider silk proteins for material applications.

PubMed

Zheng, Ke; Ling, Shengjie

2018-05-21

Spider silks are well known for their superior mechanical properties that are stronger and tougher than steel despite being assembled at close to ambient conditions and using water as the solvent. However, it is a significant challenge to utilize spider silks for practical applications due to their limited sources. Fortunately, genetic engineering techniques offer a promising approach to produce useable amounts of spider silk variants. Starting from these recombinant spider silk proteins, a series of experiments and simulations strategies were developed to improve the recombinant spider silk proteins (RSSP) material design and fabrication with the aim of biomimicking the structure-property-function relationships of spider silks. Accordingly, in this review, we first introduce the structure-property-function relationship of spider silks. Then, we discuss the recent progress in the genetic synthesis of RSSPs and summarize their related multiscale self-assembly behaviors. Finally, we outline works utilizing multiscale modeling to assist RSSP material design. This article is protected by copyright. All rights reserved.

Conceptual design of cost-effective and environmentally-friendly configurations for fuel ethanol production from sugarcane by knowledge-based process synthesis.

PubMed

Sánchez, Óscar J; Cardona, Carlos A

2012-01-01

In this work, the hierarchical decomposition methodology was used to conceptually design the production of fuel ethanol from sugarcane. The decomposition of the process into six levels of analysis was carried out. Several options of technological configurations were assessed in each level considering economic and environmental criteria. The most promising alternatives were chosen rejecting the ones with a least favorable performance. Aspen Plus was employed for simulation of each one of the technological configurations studied. Aspen Icarus was used for economic evaluation of each configuration, and WAR algorithm was utilized for calculation of the environmental criterion. The results obtained showed that the most suitable synthesized flowsheet involves the continuous cultivation of Zymomonas mobilis with cane juice as substrate and including cell recycling and the ethanol dehydration by molecular sieves. The proposed strategy demonstrated to be a powerful tool for conceptual design of biotechnological processes considering both techno-economic and environmental indicators. Copyright © 2011 Elsevier Ltd. All rights reserved.

DRS: Derivational Reasoning System

NASA Technical Reports Server (NTRS)

Bose, Bhaskar

1995-01-01

The high reliability requirements for airborne systems requires fault-tolerant architectures to address failures in the presence of physical faults, and the elimination of design flaws during the specification and validation phase of the design cycle. Although much progress has been made in developing methods to address physical faults, design flaws remain a serious problem. Formal methods provides a mathematical basis for removing design flaws from digital systems. DRS (Derivational Reasoning System) is a formal design tool based on advanced research in mathematical modeling and formal synthesis. The system implements a basic design algebra for synthesizing digital circuit descriptions from high level functional specifications. DRS incorporates an executable specification language, a set of correctness preserving transformations, verification interface, and a logic synthesis interface, making it a powerful tool for realizing hardware from abstract specifications. DRS integrates recent advances in transformational reasoning, automated theorem proving and high-level CAD synthesis systems in order to provide enhanced reliability in designs with reduced time and cost.

A reliable algorithm for optimal control synthesis

NASA Technical Reports Server (NTRS)

Vansteenwyk, Brett; Ly, Uy-Loi

1992-01-01

In recent years, powerful design tools for linear time-invariant multivariable control systems have been developed based on direct parameter optimization. In this report, an algorithm for reliable optimal control synthesis using parameter optimization is presented. Specifically, a robust numerical algorithm is developed for the evaluation of the H(sup 2)-like cost functional and its gradients with respect to the controller design parameters. The method is specifically designed to handle defective degenerate systems and is based on the well-known Pade series approximation of the matrix exponential. Numerical test problems in control synthesis for simple mechanical systems and for a flexible structure with densely packed modes illustrate positively the reliability of this method when compared to a method based on diagonalization. Several types of cost functions have been considered: a cost function for robust control consisting of a linear combination of quadratic objectives for deterministic and random disturbances, and one representing an upper bound on the quadratic objective for worst case initial conditions. Finally, a framework for multivariable control synthesis has been developed combining the concept of closed-loop transfer recovery with numerical parameter optimization. The procedure enables designers to synthesize not only observer-based controllers but also controllers of arbitrary order and structure. Numerical design solutions rely heavily on the robust algorithm due to the high order of the synthesis model and the presence of near-overlapping modes. The design approach is successfully applied to the design of a high-bandwidth control system for a rotorcraft.

Crucial breakthrough of second near-infrared biological window fluorophores: design and synthesis toward multimodal imaging and theranostics

DOE PAGES

He, Shuqing; Song, Jun; Qu, Junle; ...

2018-01-01

Recent advances in the chemical design and synthesis of fluorophores in the second near-infrared biological window (NIR-II) for multimodal imaging and theranostics are summarized and highlighted in this review article.

Crucial breakthrough of second near-infrared biological window fluorophores: design and synthesis toward multimodal imaging and theranostics

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

He, Shuqing; Song, Jun; Qu, Junle

Recent advances in the chemical design and synthesis of fluorophores in the second near-infrared biological window (NIR-II) for multimodal imaging and theranostics are summarized and highlighted in this review article.

EHWPACK: An evolvable hardware environment using the SPICE simulator and the Field Programmable Transistor Array

NASA Technical Reports Server (NTRS)

Keymeulen, D.; Klimeck, G.; Zebulum, R.; Stoica, A.; Jin, Y.; Lazaro, C.

2000-01-01

This paper describes the EHW development system, a tool that performs the evolutionary synthesis of electronic circuits, using the SPICE simulator and the Field Programmable Transistor Array hardware (FPTA) developed at JPL.

General aviation design synthesis utilizing interactive computer graphics

NASA Technical Reports Server (NTRS)

Galloway, T. L.; Smith, M. R.

1976-01-01

Interactive computer graphics is a fast growing area of computer application, due to such factors as substantial cost reductions in hardware, general availability of software, and expanded data communication networks. In addition to allowing faster and more meaningful input/output, computer graphics permits the use of data in graphic form to carry out parametric studies for configuration selection and for assessing the impact of advanced technologies on general aviation designs. The incorporation of interactive computer graphics into a NASA developed general aviation synthesis program is described, and the potential uses of the synthesis program in preliminary design are demonstrated.

Instrument Modeling and Synthesis

NASA Astrophysics Data System (ADS)

Horner, Andrew B.; Beauchamp, James W.

During the 1970s and 1980s, before synthesizers based on direct sampling of musical sounds became popular, replicating musical instruments using frequency modulation (FM) or wavetable synthesis was one of the “holy grails” of music synthesis. Synthesizers such as the Yamaha DX7 allowed users great flexibility in mixing and matching sounds, but were notoriously difficult to coerce into producing sounds like those of a given instrument. Instrument design wizards practiced the mysteries of FM instrument design.

Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

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

Crabtree, George; Glotzer, Sharon; McCurdy, Bill

This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. Newmore » materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of abating, has enabled the development of computer simulations and models of unprecedented fidelity. We are at the threshold of a new era where the integrated synthesis, characterization, and modeling of complex materials and chemical processes will transform our ability to understand and design new materials and chemistries with predictive power. In turn, this predictive capability will transform technological innovation by accelerating the development and deployment of new materials and processes in products and manufacturing. Harnessing the potential of computational science and engineering for the discovery and development of materials and chemical processes is essential to maintaining leadership in these foundational fields that underpin energy technologies and industrial competitiveness. Capitalizing on the opportunities presented by simulation-based engineering and science in materials and chemistry will require an integration of experimental capabilities with theoretical and computational modeling; the development of a robust and sustainable infrastructure to support the development and deployment of advanced computational models; and the assembly of a community of scientists and engineers to implement this integration and infrastructure. This community must extend to industry, where incorporating predictive materials science and chemistry into design tools can accelerate the product development cycle and drive economic competitiveness. The confluence of new theories, new materials synthesis capabilities, and new computer platforms has created an unprecedented opportunity to implement a "materials-by-design" paradigm with wide-ranging benefits in technological innovation and scientific discovery. The Workshop on Computational Materials Science and Chemistry for Innovation was convened in Bethesda, Maryland, on July 26-27, 2010. Sponsored by the Department of Energy (DOE) Offices of Advanced Scientific Computing Research and Basic Energy Sciences, the workshop brought together 160 experts in materials science, chemistry, and computational science representing more than 65 universities, laboratories, and industries, and four agencies. The workshop examined seven foundational challenge areas in materials science and chemistry: materials for extreme conditions, self-assembly, light harvesting, chemical reactions, designer fluids, thin films and interfaces, and electronic structure. Each of these challenge areas is critical to the development of advanced energy systems, and each can be accelerated by the integrated application of predictive capability with theory and experiment. The workshop concluded that emerging capabilities in predictive modeling and simulation have the potential to revolutionize the development of new materials and chemical processes. Coupled with world-leading materials characterization and nanoscale science facilities, this predictive capability provides the foundation for an innovation ecosystem that can accelerate the discovery, development, and deployment of new technologies, including advanced energy systems. Delivering on the promise of this innovation ecosystem requires the following: Integration of synthesis, processing, characterization, theory, and simulation and modeling. Many of the newly established Energy Frontier Research Centers and Energy Hubs are exploiting this integration. Achieving/strengthening predictive capability in foundational challenge areas. Predictive capability in the seven foundational challenge areas described in this report is critical to the development of advanced energy technologies. Developing validated computational approaches that span vast differences in time and length scales. This fundamental computational challenge crosscuts all of the foundational challenge areas. Similarly challenging is coupling of analytical data from multiple instruments and techniques that are required to link these length and time scales. Experimental validation and quantification of uncertainty in simulation and modeling. Uncertainty quantification becomes increasingly challenging as simulations become more complex. Robust and sustainable computational infrastructure, including software and applications. For modeling and simulation, software equals infrastructure. To validate the computational tools, software is critical infrastructure that effectively translates huge arrays of experimental data into useful scientific understanding. An integrated approach for managing this infrastructure is essential. Efficient transfer and incorporation of simulation-based engineering and science in industry. Strategies for bridging the gap between research and industrial applications and for widespread industry adoption of integrated computational materials engineering are needed.« less

Survey of adaptive control using Liapunov design

NASA Technical Reports Server (NTRS)

Lindorff, D. P.; Carroll, R. L.

1972-01-01

A survey was made of the literature devoted to the synthesis of model-tracking adaptive systems based on application of Liapunov's second method. The basic synthesis procedure is introduced and a critical review of extensions made to the theory since 1966 is made. The extensions relate to design for relative stability, reduction of order techniques, design with disturbance, design with time variable parameters, multivariable systems, identification, and an adaptive observer.

Design and synthesis of type-III mimetics of ShK toxin

NASA Astrophysics Data System (ADS)

Baell, Jonathan B.; Harvey, Andrew J.; Norton, Raymond S.

2002-04-01

ShK toxin is a structurally defined, 35-residue polypeptide which blocks the voltage-gated Kv1.3 potassium channel in T-lymphocytes and has been identified as a possible immunosuppressant. Our interest lies in the rational design and synthesis of type-III mimetics of protein and polypeptide structure and function. ShK toxin is a challenging target for mimetic design as its binding epitope consists of relatively weakly binding residues, some of which are discontinuous. We discuss here our investigations into the design and synthesis of 1st generation, small molecule mimetics of ShK toxin and highlight any principles relevant to the generic design of type-III mimetics of continuous and discontinuous binding epitopes. We complement our approach with attempted pharmacophore-based database mining.

Fault Accommodation in Control of Flexible Systems

NASA Technical Reports Server (NTRS)

Maghami, Peiman G.; Sparks, Dean W., Jr.; Lim, Kyong B.

1998-01-01

New synthesis techniques for the design of fault accommodating controllers for flexible systems are developed. Three robust control design strategies, static dissipative, dynamic dissipative and mu-synthesis, are used in the approach. The approach provides techniques for designing controllers that maximize, in some sense, the tolerance of the closed-loop system against faults in actuators and sensors, while guaranteeing performance robustness at a specified performance level, measured in terms of the proximity of the closed-loop poles to the imaginary axis (the degree of stability). For dissipative control designs, nonlinear programming is employed to synthesize the controllers, whereas in mu-synthesis, the traditional D-K iteration is used. To demonstrate the feasibility of the proposed techniques, they are applied to the control design of a structural model of a flexible laboratory test structure.

Fractional order PIλ controller synthesis for steam turbine speed governing systems.

PubMed

Chen, Kai; Tang, Rongnian; Li, Chuang; Lu, Junguo

2018-06-01

The current state of the art of fractional order stability theory is hardly to build connection between the time domain analysis and frequency domain synthesis. The existing tuning methodologies for fractional order PI λ D μ are not always satisfy the given gain crossover frequency and phase margin simultaneously. To overcome the drawbacks in the existing synthesis of fractional order controller, the synthesis of optimal fractional order PI λ controller for higher-order process is proposed. According to the specified phase margin, the corresponding upper boundary of gain crossover frequency and stability surface in parameter space are obtained. Sweeping the order parameter over λ∈(0,2), the complete set of stabilizing controller which guarantees both pre-specifying phase frequency characteristic can be collected. Whereafter, the optimal fractional order PI λ controller is applied to the speed governing systems of steam turbine generation units. The numerical simulation and hardware-in-the-loop simulation demonstrate the effectiveness and satisfactory closed-loop performance of obtained fractional order PI λ controller. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Force fields for describing the solution-phase synthesis of shape-selective metal nanoparticles

NASA Astrophysics Data System (ADS)

Zhou, Ya; Al-Saidi, Wissam; Fichthorn, Kristen

2013-03-01

Polyvinylpyrrolidone (PVP) and polyethylene oxide (PEO) are structure-directing agents that exhibit different performance in the polyol synthesis of Ag nanostructures. The success of these structure-directing agents in selective nanostructure synthesis is often attributed to their selective binding to Ag(100) facets. We use first-principles, density-functional theory (DFT) calculations in a vacuum environment to show that PVP has a stronger preference to bind to Ag(100) than to Ag(111), whereas PEO exhibits much weaker selectivity. To understand the role of solvent in the surface-sensitive binding, we develop classical force fields to describe the interactions of the structure-directing (PVP and PEO) and solvent (ethylene glycol) molecules with various Ag substrates. We parameterize the force fields through force-and-energy matching to DFT results using simulated annealing. We validate the force fields by comparisons to DFT and experimental binding energies. Our force fields reproduce the surface-sensitive binding predicted by DFT calculations. Molecular dynamics simulations based on these force fields can be used to reveal the role of solvent, polymer chain length, and polymer concentration in the selective synthesis of Ag nanostructures.

The Total Synthesis Problem of linear multivariable control. II - Unity feedback and the design morphism

NASA Technical Reports Server (NTRS)

Sain, M. K.; Antsaklis, P. J.; Gejji, R. R.; Wyman, B. F.; Peczkowski, J. L.

1981-01-01

Zames (1981) has observed that there is, in general, no 'separation principle' to guarantee optimality of a division between control law design and filtering of plant uncertainty. Peczkowski and Sain (1978) have solved a model matching problem using transfer functions. Taking into consideration this investigation, Peczkowski et al. (1979) proposed the Total Synthesis Problem (TSP), wherein both the command/output-response and command/control-response are to be synthesized, subject to the plant constraint. The TSP concept can be subdivided into a Nominal Design Problem (NDP), which is not dependent upon specific controller structures, and a Feedback Synthesis Problem (FSP), which is. Gejji (1980) found that NDP was characterized in terms of the plant structural matrices and a single, 'good' transfer function matrix. Sain et al. (1981) have extended this NDP work. The present investigation is concerned with a study of FSP for the unity feedback case. NDP, together with feedback synthesis, is understood as a Total Synthesis Problem.

Modeling of multiphase flow with solidification and chemical reaction in materials processing

NASA Astrophysics Data System (ADS)

Wei, Jiuan

Understanding of multiphase flow and related heat transfer and chemical reactions are the keys to increase the productivity and efficiency in industrial processes. The objective of this thesis is to utilize the computational approaches to investigate the multiphase flow and its application in the materials processes, especially in the following two areas: directional solidification, and pyrolysis and synthesis. In this thesis, numerical simulations will be performed for crystal growth of several III-V and II-VI compounds. The effects of Prandtl and Grashof numbers on the axial temperature profile, the solidification interface shape, and melt flow are investigated. For the material with high Prandtl and Grashof numbers, temperature field and growth interface will be significantly influenced by melt flow, resulting in the complicated temperature distribution and curved interface shape, so it will encounter tremendous difficulty using a traditional Bridgman growth system. A new design is proposed to reduce the melt convection. The geometric configuration of top cold and bottom hot in the melt will dramatically reduce the melt convection. The new design has been employed to simulate the melt flow and heat transfer in crystal growth with large Prandtl and Grashof numbers and the design parameters have been adjusted. Over 90% of commercial solar cells are made from silicon and directional solidification system is the one of the most important method to produce multi-crystalline silicon ingots due to its tolerance to feedstock impurities and lower manufacturing cost. A numerical model is developed to simulate the silicon ingot directional solidification process. Temperature distribution and solidification interface location are presented. Heat transfer and solidification analysis are performed to determine the energy efficiency of the silicon production furnace. Possible improvements are identified. The silicon growth process is controlled by adjusting heating power and moving the side insulation layer upward. It is possible to produce high quality crystal with a good combination of heating and cooling. SiC based ceramic materials fabricated by polymer pyrolysis and synthesis becomes a promising candidate for nuclear applications. To obtain high uniformity of microstructure/concentration fuel without crack at high operating temperature, it is important to understand transport phenomena in material processing at different scale levels. In our prior work, a system level model based on reactive porous media theory was developed to account for the pyrolysis process in uranium-ceramic nuclear fabrication In this thesis, a particle level mesoscopic model based on the Smoothed Particle Hydrodynamics (SPH) is developed for modeling the synthesis of filler U3O8 particles and SiC matrix. The system-level model provides the thermal boundary conditions needed in the particle level simulation. The evolution of particle concentration and structure as well as composition of composite produced will be investigated. Since the process temperature and heat flux play the important roles in material quality and uniformity, the effects of heating rate at different directions, filler particle size and distribution on uniformity and microstructure of the final product are investigated. Uncertainty issue is also discussed. For the multiphase flow with directional solidification, a system level based on FVM is established. In this model, melt convection, temperature distribution, phase change and solidification interface can be investigated. For the multiphase flow with chemical reaction, a particle level model based on SPH method is developed to describe the pyrolysis and synthesis process of uranium-ceramic nuclear fuel. Due to its mesh-free nature, SPH can easily handle the problems with multi phases and components, large deformation, chemical reactions and even solidifications. A multi-scale meso-macroscopic approach, which combine a mesoscopic model based on SPH method and macroscopic model based on FVM, FEM and FDM, can be applied to even more complicated system. In the mesoscopic model by SPH method, some fundamental mesoscopic phenomena, such as the microstructure evolution, interface morphology represented by high resolution, particle entrapment in solidification can be studied. In the macroscopic model, the heat transfer, fluid flow, species transport can be modeled, and the simulation results provided the velocity, temperature and species boundary condition necessary for the mesoscopic model. This part falls into the region of future work. (Abstract shortened by UMI.)

Type synthesis for 4-DOF parallel press mechanism using GF set theory

NASA Astrophysics Data System (ADS)

He, Jun; Gao, Feng; Meng, Xiangdun; Guo, Weizhong

2015-07-01

Parallel mechanisms is used in the large capacity servo press to avoid the over-constraint of the traditional redundant actuation. Currently, the researches mainly focus on the performance analysis for some specific parallel press mechanisms. However, the type synthesis and evaluation of parallel press mechanisms is seldom studied, especially for the four degrees of freedom(DOF) press mechanisms. The type synthesis of 4-DOF parallel press mechanisms is carried out based on the generalized function(GF) set theory. Five design criteria of 4-DOF parallel press mechanisms are firstly proposed. The general procedure of type synthesis of parallel press mechanisms is obtained, which includes number synthesis, symmetrical synthesis of constraint GF sets, decomposition of motion GF sets and design of limbs. Nine combinations of constraint GF sets of 4-DOF parallel press mechanisms, ten combinations of GF sets of active limbs, and eleven combinations of GF sets of passive limbs are synthesized. Thirty-eight kinds of press mechanisms are presented and then different structures of kinematic limbs are designed. Finally, the geometrical constraint complexity( GCC), kinematic pair complexity( KPC), and type complexity( TC) are proposed to evaluate the press types and the optimal press type is achieved. The general methodologies of type synthesis and evaluation for parallel press mechanism are suggested.

Hybrid Architectural Framework for C4ISR and Discrete-Event Simulation (DES) to Support Sensor-Driven Model Synthesis in Real-World Scenarios

DTIC Science & Technology

2013-09-01

which utilizes FTA and then loads it into a DES engine to generate simulation results. .......44 Figure 21. This simulation architecture is...While Discrete Event Simulation ( DES ) can provide accurate time estimation and fast simulation speed, models utilizing it often suffer...C4ISR progress in MDW is developed in this research to demonstrate the feasibility of AEMF- DES and explore its potential. The simulation (MDSIM

Design of Ultra-Wideband Tapered Slot Antenna by Using Binomial Transformer with Corrugation

NASA Astrophysics Data System (ADS)

Chareonsiri, Yosita; Thaiwirot, Wanwisa; Akkaraekthalin, Prayoot

2017-05-01

In this paper, the tapered slot antenna (TSA) with corrugation is proposed for UWB applications. The multi-section binomial transformer is used to design taper profile of the proposed TSA that does not involve using time consuming optimization. A step-by-step procedure for synthesis of the step impedance values related with step slot widths of taper profile is presented. The smooth taper can be achieved by fitting the smoothing curve to the entire step slot. The design of TSA based on this method yields results with a quite flat gain and wide impedance bandwidth covering UWB spectrum from 3.1 GHz to 10.6 GHz. To further improve the radiation characteristics, the corrugation is added on the both edges of the proposed TSA. The effects of different corrugation shapes on the improvement of antenna gain and front-to-back ratio (F-to-B ratio) are investigated. To demonstrate the validity of the design, the prototypes of TSA without and with corrugation are fabricated and measured. The results show good agreement between simulation and measurement.

Longitudinal-control design approach for high-angle-of-attack aircraft

NASA Technical Reports Server (NTRS)

Ostroff, Aaron J.; Proffitt, Melissa S.

1993-01-01

This paper describes a control synthesis methodology that emphasizes a variable-gain output feedback technique that is applied to the longitudinal channel of a high-angle-of-attack aircraft. The aircraft is a modified F/A-18 aircraft with thrust-vectored controls. The flight regime covers a range up to a Mach number of 0.7; an altitude range from 15,000 to 35,000 ft; and an angle-of-attack (alpha) range up to 70 deg, which is deep into the poststall region. A brief overview is given of the variable-gain mathematical formulation as well as a description of the discrete control structure used for the feedback controller. This paper also presents an approximate design procedure with relationships for the optimal weights for the selected feedback control structure. These weights are selected to meet control design guidelines for high-alpha flight controls. Those guidelines that apply to the longitudinal-control design are also summarized. A unique approach is presented for the feed-forward command generator to obtain smooth transitions between load factor and alpha commands. Finally, representative linear analysis results and nonlinear batch simulation results are provided.

A Rational Design, Synthesis, Biological Evaluation and Structure--Activity Relationship Study of Novel Inhibitors against Cyanobacterial Fructose-1,6-bisphosphate Aldolase.

PubMed

Han, Xinya; Zhu, Xiuyun; Zhu, Shuaihua; Wei, Lin; Hong, Zongqin; Guo, Li; Chen, Haifeng; Chi, Bo; Liu, Yan; Feng, Lingling; Ren, Yanliang; Wan, Jian

2016-01-25

In the present study, a series of novel maleimide derivatives were rationally designed and optimized, and their inhibitory activities against cyanobacteria class-II fructose-1,6-bisphosphate aldolase (Cy-FBA-II) and Synechocystis sp. PCC 6803 were further evaluated. The experimental results showed that the introduction of a bigger group (Br, Cl, CH3, or C6H3-o-F) on the pyrrole-2',5'-dione ring resulted in a decrease in the Cy-FBA-II inhibitory activity of the hit compounds. Generally, most of the hit compounds with high Cy-FBA-II inhibitory activities could also exhibit high in vivo activities against Synechocystis sp. PCC 6803. Especially, compound 10 not only shows a high Cy-FBA-II activity (IC50 = 1.7 μM) but also has the highest in vivo activity against Synechocystis sp. PCC 6803 (EC50 = 0.6 ppm). Thus, compound 10 was selected as a representative molecule, and its probable interactions with the surrounding important residues in the active site of Cy-FBA-II were elucidated by the joint use of molecular docking, molecular dynamics simulations, ONIOM calculations, and enzymatic assays to provide new insight into the binding mode of the inhibitors and Cy-FBA-II. The positive results indicate that the design strategy used in the present study is very likely to be a promising way to find novel lead compounds with high inhibitory activities against Cy-FBA-II in the future. The enzymatic and algal inhibition assays suggest that Cy-FBA-II is very likely to be a promising target for the design, synthesis, and development of novel specific algicides to solve cyanobacterial harmful algal blooms.

Practical computational toolkits for dendrimers and dendrons structure design.

PubMed

Martinho, Nuno; Silva, Liana C; Florindo, Helena F; Brocchini, Steve; Barata, Teresa; Zloh, Mire

2017-09-01

Dendrimers and dendrons offer an excellent platform for developing novel drug delivery systems and medicines. The rational design and further development of these repetitively branched systems are restricted by difficulties in scalable synthesis and structural determination, which can be overcome by judicious use of molecular modelling and molecular simulations. A major difficulty to utilise in silico studies to design dendrimers lies in the laborious generation of their structures. Current modelling tools utilise automated assembly of simpler dendrimers or the inefficient manual assembly of monomer precursors to generate more complicated dendrimer structures. Herein we describe two novel graphical user interface toolkits written in Python that provide an improved degree of automation for rapid assembly of dendrimers and generation of their 2D and 3D structures. Our first toolkit uses the RDkit library, SMILES nomenclature of monomers and SMARTS reaction nomenclature to generate SMILES and mol files of dendrimers without 3D coordinates. These files are used for simple graphical representations and storing their structures in databases. The second toolkit assembles complex topology dendrimers from monomers to construct 3D dendrimer structures to be used as starting points for simulation using existing and widely available software and force fields. Both tools were validated for ease-of-use to prototype dendrimer structure and the second toolkit was especially relevant for dendrimers of high complexity and size.

Practical computational toolkits for dendrimers and dendrons structure design

NASA Astrophysics Data System (ADS)

Martinho, Nuno; Silva, Liana C.; Florindo, Helena F.; Brocchini, Steve; Barata, Teresa; Zloh, Mire

2017-09-01

Dendrimers and dendrons offer an excellent platform for developing novel drug delivery systems and medicines. The rational design and further development of these repetitively branched systems are restricted by difficulties in scalable synthesis and structural determination, which can be overcome by judicious use of molecular modelling and molecular simulations. A major difficulty to utilise in silico studies to design dendrimers lies in the laborious generation of their structures. Current modelling tools utilise automated assembly of simpler dendrimers or the inefficient manual assembly of monomer precursors to generate more complicated dendrimer structures. Herein we describe two novel graphical user interface toolkits written in Python that provide an improved degree of automation for rapid assembly of dendrimers and generation of their 2D and 3D structures. Our first toolkit uses the RDkit library, SMILES nomenclature of monomers and SMARTS reaction nomenclature to generate SMILES and mol files of dendrimers without 3D coordinates. These files are used for simple graphical representations and storing their structures in databases. The second toolkit assembles complex topology dendrimers from monomers to construct 3D dendrimer structures to be used as starting points for simulation using existing and widely available software and force fields. Both tools were validated for ease-of-use to prototype dendrimer structure and the second toolkit was especially relevant for dendrimers of high complexity and size.

GASP- GENERAL AVIATION SYNTHESIS PROGRAM

NASA Technical Reports Server (NTRS)

Galloway, T. L.

1994-01-01

The General Aviation Synthesis Program, GASP, was developed to perform tasks generally associated with the preliminary phase of aircraft design. GASP gives the analyst the capability of performing parametric studies in a rapid manner during preliminary design efforts. During the development of GASP, emphasis was placed on small fixed-wing aircraft employing propulsion systems varying from a single piston engine with a fixed pitch propeller through twin turboprop/turbofan systems as employed in business or transport type aircraft. The program is comprised of modules representing the various technical disciplines of design, integrated into a computational flow which ensures that the interacting effects of design variables are continuously accounted for in the aircraft sizing procedures. GASP provides a useful tool for comparing configurations, assessing aircraft performance and economics, and performing tradeoff and sensitivity studies. By utilizing GASP, the impact of various aircraft requirements and design factors may be studied in a systematic manner, with benefits being measured in terms of overall aircraft performance and economics. The GASP program consists of a control module and six "technology" submodules which perform the various independent studies required in the design of general aviation or small transport type aircraft. The six technology modules include geometry, aerodynamics, propulsion, weight and balance, mission analysis, and economics. The geometry module calculates the dimensions of the synthesized aircraft components based on such input parameters as number of passengers, aspect ratio, taper ratio, sweep angles, and thickness of wing and tail surfaces. The aerodynamics module calculates the various lift and drag coefficients of the synthesized aircraft based on inputs concerning configuration geometry, flight conditions, and type of high lift device. The propulsion module determines the engine size and performance for the synthesized aircraft. Both cruise and take-off requirements for the aircraft may be specified. This module can currently simulate turbojet, turbofan, turboprop, and reciprocating or rotating combustion engines. The weight and balance module accepts as input gross weight, payload, aircraft geometry, and weight trend coefficients for use in calculating the size of tip tanks and wing location required such that the synthesized aircraft is in balance for center of gravity travel. In the mission analysis module, the taxi, take-off, climb, cruise, and landing segments of a specified mission are analyzed to compute the total range, and the aircraft size required to provide this range is determined. In the economic module both the flyaway and operating costs are determined from estimated resources and services cost. The six technology modules are integrated into a single synthesis system by the control module. This integrated approach ensures that the results from each module contain the effect of design interactions among all the modules. Starting from a set of simple input quantities concerning aircraft type, size, and performance, the synthesis is extended to the point where all of the important aircraft characteristics have been analyzed quantitatively. Together, the synthesis model and procedure develops aircraft configurations in a manner useful in parametric analysis and provides a useful step toward more detailed analytical and experimental studies. The GASP program is written in FORTRAN IV for batch execution and has been implemented on a CDC CYBER 170 series computer with a central memory requirement of approximately 200K(octal) of 60 bit words. The GASP program was developed in 1978.

Periodic control of the individual-blade-control helicopter rotor. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Mckillip, R. M., Jr.

1984-01-01

Results of an investigation into methods of controller design for an individual helicopter rotor blade in the high forward-flight speed regime are described. This operating condition poses a unique control problem in that the perturbation equations of motion are linear with coefficients that vary periodically with time. The design of a control law was based on extensions to modern multivariate synthesis techniques and incorporated a novel approach to the reconstruction of the missing system state variables. The controller was tested on both an electronic analog computer simulation of the out-of-plane flapping dynamics, and on a four foot diameter single-bladed model helicopter rotor in the M.I.T. 5x7 subsonic wind tunnel at high levels of advance ratio. It is shown that modal control using the IBC concept is possible over a large range of advance ratios with only a modest amount of computational power required.

The NASA Auralization Framework and Plugin Architecture

NASA Technical Reports Server (NTRS)

Aumann, Aric R.; Tuttle, Brian C.; Chapin, William L.; Rizzi, Stephen A.

2015-01-01

NASA has a long history of investigating human response to aircraft flyover noise and in recent years has developed a capability to fully auralize the noise of aircraft during their design. This capability is particularly useful for unconventional designs with noise signatures significantly different from the current fleet. To that end, a flexible software architecture has been developed to facilitate rapid integration of new simulation techniques for noise source synthesis and propagation, and to foster collaboration amongst researchers through a common releasable code base. The NASA Auralization Framework (NAF) is a skeletal framework written in C++ with basic functionalities and a plugin architecture that allows users to mix and match NAF capabilities with their own methods through the development and use of dynamically linked libraries. This paper presents the NAF software architecture and discusses several advanced auralization techniques that have been implemented as plugins to the framework.

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

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

Witman, Matthew; Ling, Sanliang; Anderson, Samantha

Here, we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We then introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad search for new linkers that satisfy the topological requirements of MOF-74 and consider the largest database of known chemical space for organic compounds, the PubChem database. Our in silico crystal assembly, when combined with dispersion-corrected density functional theory (DFT) calculations, is demonstrated to generate a hypothetical library of open-metal site containing MOF-74 analogs in the 1-D rod topology frommore » which we can simulate the adsorption behavior of CO 2 . We conclude that these hypothetical structures have synthesizable potential through computational identification and experimental validation of a novel MOF-74 analog, Mg 2 (olsalazine).« less

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

DOE PAGES

Witman, Matthew; Ling, Sanliang; Anderson, Samantha; ...

2016-06-21

Here, we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We then introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad search for new linkers that satisfy the topological requirements of MOF-74 and consider the largest database of known chemical space for organic compounds, the PubChem database. Our in silico crystal assembly, when combined with dispersion-corrected density functional theory (DFT) calculations, is demonstrated to generate a hypothetical library of open-metal site containing MOF-74 analogs in the 1-D rod topology frommore » which we can simulate the adsorption behavior of CO 2 . We conclude that these hypothetical structures have synthesizable potential through computational identification and experimental validation of a novel MOF-74 analog, Mg 2 (olsalazine).« less

A Low-Complexity Euclidean Orthogonal LDPC Architecture for Low Power Applications

PubMed Central

Revathy, M.; Saravanan, R.

2015-01-01

Low-density parity-check (LDPC) codes have been implemented in latest digital video broadcasting, broadband wireless access (WiMax), and fourth generation of wireless standards. In this paper, we have proposed a high efficient low-density parity-check code (LDPC) decoder architecture for low power applications. This study also considers the design and analysis of check node and variable node units and Euclidean orthogonal generator in LDPC decoder architecture. The Euclidean orthogonal generator is used to reduce the error rate of the proposed LDPC architecture, which can be incorporated between check and variable node architecture. This proposed decoder design is synthesized on Xilinx 9.2i platform and simulated using Modelsim, which is targeted to 45 nm devices. Synthesis report proves that the proposed architecture greatly reduces the power consumption and hardware utilizations on comparing with different conventional architectures. PMID:26065017

Phase-synchroniser based on gm-C all-pass filter chain with sliding mode control

NASA Astrophysics Data System (ADS)

Mitić, Darko B.; Jovanović, Goran S.; Stojčev, Mile K.; Antić, Dragan S.

2015-03-01

Phase-synchronisers have many applications in VLSI circuit designs. They are used in CMOS RF circuits including phase (de)modulators, phase recovery circuits, multiphase synthesis, etc. In this article, a phase-synchroniser based on gm-C all-pass filter chain with sliding mode control is presented. The filter chain provides good controllable delay characteristics over the full range of phase and frequency regulation, without deterioration of input signal amplitude and waveform, while the sliding mode control enables us to achieve fast and predetermined finite locking time. IHP 0.25 µm SiGe BiCMOS technology has been used in design and verification processes. The circuit operates in the frequency range from 33 MHz up to 150 MHz. Simulation results indicate that it is possible to achieve very fast synchronisation time period, which is approximately four time intervals of the input signal during normal operation, and 20 time intervals during power-on.

Describing litho-constrained layout by a high-resolution model filter

NASA Astrophysics Data System (ADS)

Tsai, Min-Chun

2008-05-01

A novel high-resolution model (HRM) filtering technique was proposed to describe litho-constrained layouts. Litho-constrained layouts are layouts that have difficulties to pattern or are highly sensitive to process-fluctuations under current lithography technologies. HRM applies a short-wavelength (or high NA) model simulation directly on the pre-OPC, original design layout to filter out low spatial-frequency regions, and retain high spatial-frequency components which are litho-constrained. Since no OPC neither mask-synthesis steps are involved, this new technique is highly efficient in run time and can be used in design stage to detect and fix litho-constrained patterns. This method has successfully captured all the hot-spots with less than 15% overshoots on a realistic 80 mm2 full-chip M1 layout in 65nm technology node. A step by step derivation of this HRM technique is presented in this paper.

Numerical analysis of hydrodynamics in a rotor-stator reactor for biodiesel synthesis

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

Wen, Zhuqing; Petera, Jerzy

A rotor-stator spinning disk reactor for intensified biodiesel synthesis is described and numerically simulated. The reactor consists of two flat disks, located coaxially and parallel to each other with a gap ranging from 0.1 mm to 0.2 mm between the disks. The upper disk is located on a rotating shaft while the lower disk is stationary. The feed liquids, triglycerides (TG) and methanol are introduced coaxially along the center line of rotating disk and stationary disk, respectively. Fluid hydrodynamics in the reactor for synthesis of biodiesel from TG and methanol in the presence of a sodium hydroxide catalyst are simulated, using convection-diffusion-reactionmore » species transport model by the CFD software ANSYS©Fluent v. 13.0. The effects of upper disk’s spinning speed, gap size and flow rates at inlets are evaluated.« less

Local Synthesis and Tooth Contact Analysis of Face-Milled Spiral Bevel Gears

NASA Technical Reports Server (NTRS)

Litvin, Faydor L.; Zhang, Yi

1991-01-01

Computerized simulation of meshing and bearing contact for spiral bevel gears and hypoid gears is a significant achievement that could substantially improve the technology and the quality of the gears. An approach to the synthesis of face-milled spiral bevel gears and their tooth contact analysis is presented. The proposed approach is based on the following ideas: application of the principle of local synthesis that provides optimal conditions of meshing and contact at the mean contact point, M, and in the neighborhood of M; and application of relations between principle directions and curvatures for surfaces being in line contact or in point contact. The developed local synthesis of gears provides the following: (1) the required gear ratio at M; (2) a localized bearing contact with the desired direction of the tangent to the contact path on gear tooth surface and the desired length of the major axis of contact ellipse at M; (3) a predesigned parabolic function of a controlled level for transmission errors which enables absorption of linear functions of transmission errors caused by misalignment and reduces the level of vibrations. The proposed approach does not require either the tilt of the head-cutter for the process of generation or modified roll for the pinion generation. Improved conditions of meshing and contact of the gears can be achieved without the above mentioned parameters. A computer program for determination of basic machine-tool settings and tooth contact analysis for the designed gears is presented. The approach is illustrated with a numerical example.

LIRAS mission for lunar exploration by microwave interferometric radiometer: Moon's subsurface characterization, emission model and numerical simulator

NASA Astrophysics Data System (ADS)

Pompili, Sara; Silvio Marzano, Frank; Di Carlofelice, Alessandro; Montopoli, Mario; Talone, Marco; Crapolicchio, Raffaele; L'Abbate, Michelangelo; Varchetta, Silvio; Tognolatti, Piero

2013-04-01

The "Lunar Interferometric Radiometer by Aperture Synthesis" (LIRAS) mission is promoted by the Italian Space Agency and is currently in feasibility phase. LIRAS' satellite will orbit around the Moon at a height of 100 km, with a revisiting time period lower than 1 lunar month and will be equipped with: a synthetic aperture radiometer for subsurface sounding purposes, working at 1 and 3 GHz, and a real aperture radiometer for near-surface probing, working at 12 and 24 GHz. The L-band payload, representing a novel concept for lunar exploration, is designed as a Y-shaped thinned array with three arms less than 2.5 m long. The main LIRAS objectives are high-resolution mapping and vertical sounding of the Moon subsurface by applying the advantages of the antenna aperture synthesis technique to a multi-frequency microwave passive payload. The mission is specifically designed to achieve spatial resolutions less than 10 km at surface and to retrieve thermo-morphological properties of the Moon subsurface within 5 m of depth. Among LIRAS products are: lunar near-surface brightness temperature, subsurface brightness temperature gross profile, subsurface regolith thickness, density and average thermal conductivity, detection index of possible subsurface discontinuities (e.g. ice presence). The following study involves the preliminary design of the LIRAS payload and the electromagnetic and thermal characterization of the lunar subsoil through the implementation of a simulator for reproducing the LIRAS measurements in response to observations of the Moon surface and subsurface layers. Lunar physical data, collected after the Apollo missions, and LIRAS instrument parameters are taken as input for the abovementioned simulator, called "LIRAS End-to-end Performance Simulator" (LEPS) and obtained by adapting the SMOS End-to-end Performance Simulator to the different instrumental, orbital, and geophysical LIRAS characteristics. LEPS completely simulates the behavior of the satellite when it becomes operational providing the extrapolation of lunar brightness temperature maps in both Antenna frame (the cosine domain) and on the Moon surface and allowing an accurate analysis of the instrument performance. The Moon stratigraphy is reproduced in LEPS environment through three scenarios: a macro-layer of regolith; two subsequent macro-layers of regolith and rock; three subsequent macro-layers of regolith, ice and rock, respectively. These scenarios are studied using an incoherent approach, taking into account the interaction between the upwelling and downwelling radiation contributions from each layer to model the resulting brightness temperature at the surface level. It has been considered that the radiative behavior of the Moon varies over time, depending on solar illumination conditions, and it is also function of the material properties, layer thickness and specific position on the lunar crust; moreover it has been examined its variation with frequency, observation angle, and polarization. Using the proposed emission model it has been possible to derive a digital thermal model in the microwave frequency of the Moon, allowing in-depth analysis of the lunar soil consistency; this collected information could be related with a lunar digital elevation model in order to achieve global coverage information on topological aspects. The main results of the study will be presented at the conference.

Procedure and information displays in advanced nuclear control rooms: experimental evaluation of an integrated design.

PubMed

Chen, Yue; Gao, Qin; Song, Fei; Li, Zhizhong; Wang, Yufan

2017-08-01

In the main control rooms of nuclear power plants, operators frequently have to switch between procedure displays and system information displays. In this study, we proposed an operation-unit-based integrated design, which combines the two displays to facilitate the synthesis of information. We grouped actions that complete a single goal into operation units and showed these operation units on the displays of system states. In addition, we used different levels of visual salience to highlight the current unit and provided a list of execution history records. A laboratory experiment, with 42 students performing a simulated procedure to deal with unexpected high pressuriser level, was conducted to compare this design against an action-based integrated design and the existing separated-displays design. The results indicate that our operation-unit-based integrated design yields the best performance in terms of time and completion rate and helped more participants to detect unexpected system failures. Practitioner Summary: In current nuclear control rooms, operators frequently have to switch between procedure and system information displays. We developed an integrated design that incorporates procedure information into system displays. A laboratory study showed that the proposed design significantly improved participants' performance and increased the probability of detecting unexpected system failures.

Flow Chemistry for Designing Sustainable Chemical Synthesis (journal article)

EPA Science Inventory

An efficiently designed continuous flow chemical process can lead to significant advantages in developing a sustainable chemical synthesis or process. These advantages are the direct result of being able to impart a higher degree of control on several key reactor and reaction par...

Fuel-conservative guidance system for powered-lift aircraft

NASA Technical Reports Server (NTRS)

Erzberger, H.; Mclean, J. D.

1979-01-01

A concept for automatic terminal-area guidance, comprising two modes of operation, has been developed and evaluated in flight tests. In the first or predictive mode, fuel-efficient approach trajectories are synthesized in fast time. In the second or tracking mode, the synthesized trajectories are reconstructed and tracked automatically. An energy rate performance model derived from the lift, drag, and propulsion-system characteristics of the aircraft is used in the synthesis algorithm. The method optimizes the trajectory for the initial aircraft position and wind and temperature profiles encountered during each landing approach. The paper describes the design theory and discusses the results of simulations and flight tests using the Augmentor Wing Jet STOL Research Aircraft.

Low-Level Space Optimization of an AES Implementation for a Bit-Serial Fully Pipelined Architecture

NASA Astrophysics Data System (ADS)

Weber, Raphael; Rettberg, Achim

A previously developed AES (Advanced Encryption Standard) implementation is optimized and described in this paper. The special architecture for which this implementation is targeted comprises synchronous and systematic bit-serial processing without a central controlling instance. In order to shrink the design in terms of logic utilization we deeply analyzed the architecture and the AES implementation to identify the most costly logic elements. We propose to merge certain parts of the logic to achieve better area efficiency. The approach was integrated into an existing synthesis tool which we used to produce synthesizable VHDL code. For testing purposes, we simulated the generated VHDL code and ran tests on an FPGA board.

Synthesis and biological evaluation of di-aryl urea derivatives as c-Kit inhibitors.

PubMed

Ravez, Séverine; Arsenlis, Stéphane; Barczyk, Amélie; Dupont, Anthony; Frédérick, Raphaël; Hesse, Stéphanie; Kirsch, Gilbert; Depreux, Patrick; Goossens, Laurence

2015-11-15

Inhibition of receptor tyrosine kinases (RTKs) continued to be a successful approach for the treatment of many types of human cancers and many potent small molecules kinase inhibitors have been discovered the last decade. In the present study, we describe the synthesis of thienopyrimidine derivatives and their pharmacological evaluation against nine kinases (EGFR, PDGFR-ß, c-Kit, c-Met, Src, Raf, VEGFR-1, -2 and -3). Most of the synthesized compounds showed from moderate to potent activities against c-Kit with IC50 values in the nanomolar range. Among them, 4-anilino(urea)thienopyrimidine analogs showed selectivity and potent c-Kit inhibition with IC50 values less than 6 nM. Docking simulation was performed for the most promising compound 9 into the c-Kit active site to determine the potential binding mode. This study reveal that the 4-anilino(urea)thienopyrimidine is an interesting scaffold to design novel potent and selective c-Kit inhibitors which may make promising candidates for cancers where c-Kit receptors are overexpressed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Advanced Control Synthesis for Reverse Osmosis Water Desalination Processes.

PubMed

Phuc, Bui Duc Hong; You, Sam-Sang; Choi, Hyeung-Six; Jeong, Seok-Kwon

2017-11-01

  In this study, robust control synthesis has been applied to a reverse osmosis desalination plant whose product water flow and salinity are chosen as two controlled variables. The reverse osmosis process has been selected to study since it typically uses less energy than thermal distillation. The aim of the robust design is to overcome the limitation of classical controllers in dealing with large parametric uncertainties, external disturbances, sensor noises, and unmodeled process dynamics. The analyzed desalination process is modeled as a multi-input multi-output (MIMO) system with varying parameters. The control system is decoupled using a feed forward decoupling method to reduce the interactions between control channels. Both nominal and perturbed reverse osmosis systems have been analyzed using structured singular values for their stabilities and performances. Simulation results show that the system responses meet all the control requirements against various uncertainties. Finally the reduced order controller provides excellent robust performance, with achieving decoupling, disturbance attenuation, and noise rejection. It can help to reduce the membrane cleanings, increase the robustness against uncertainties, and lower the energy consumption for process monitoring.

Sound synthesis and evaluation of interactive footsteps and environmental sounds rendering for virtual reality applications.

PubMed

Nordahl, Rolf; Turchet, Luca; Serafin, Stefania

2011-09-01

We propose a system that affords real-time sound synthesis of footsteps on different materials. The system is based on microphones, which detect real footstep sounds from subjects, from which the ground reaction force (GRF) is estimated. Such GRF is used to control a sound synthesis engine based on physical models. Two experiments were conducted. In the first experiment, the ability of subjects to recognize the surface they were exposed to was assessed. In the second experiment, the sound synthesis engine was enhanced with environmental sounds. Results show that, in some conditions, adding a soundscape significantly improves the recognition of the simulated environment.

Rational Design, Synthesis and Evaluation of γ-CD-Containing Cross-Linked Polyvinyl Alcohol Hydrogel as a Prednisone Delivery Platform.

PubMed

Marican, Adolfo; Avila-Salas, Fabián; Valdés, Oscar; Wehinger, Sergio; Villaseñor, Jorge; Fuentealba, Natalia; Arenas-Salinas, Mauricio; Argandoña, Yerko; Carrasco-Sánchez, Verónica; Durán-Lara, Esteban F

2018-03-07

This study describes the in-silico rational design, synthesis and evaluation of cross-linked polyvinyl alcohol hydrogels containing γ-cyclodextrin (γ-CDHSAs) as platforms for the sustained release of prednisone (PDN). Through in-silico studies using semi-empirical quantum mechanical calculations, the effectiveness of 20 dicarboxylic acids to generate a specific cross-linked hydrogel capable of supporting different amounts of γ-cyclodextrin (γ-CD) was evaluated. According to the interaction energies calculated with the in-silico studies, the hydrogel made from PVA cross-linked with succinic acids (SA) was shown to be the best candidate for containing γ-CD. Later, molecular dynamics simulation studies were performed in order to evaluate the intermolecular interactions between PDN and three cross-linked hydrogel formulations with different proportions of γ-CD (2.44%, 4.76% and 9.1%). These three cross-linked hydrogels were synthesized and characterized. The loading and the subsequent release of PDN from the hydrogels were investigated. The in-silico and experimental results showed that the interaction between PDN and γ-CDHSA was mainly produced with the γ-CDs linked to the hydrogels. Thus, the unique structures and properties of γ-CDHSA demonstrated an interesting multiphasic profile that could be utilized as a promising drug carrier for controlled, sustained and localized release of PDN.

Rational Design, Synthesis and Evaluation of γ-CD-Containing Cross-Linked Polyvinyl Alcohol Hydrogel as a Prednisone Delivery Platform

PubMed Central

Marican, Adolfo; Valdés, Oscar; Wehinger, Sergio; Villaseñor, Jorge; Fuentealba, Natalia; Argandoña, Yerko; Carrasco-Sánchez, Verónica

2018-01-01

This study describes the in-silico rational design, synthesis and evaluation of cross-linked polyvinyl alcohol hydrogels containing γ-cyclodextrin (γ-CDHSAs) as platforms for the sustained release of prednisone (PDN). Through in-silico studies using semi-empirical quantum mechanical calculations, the effectiveness of 20 dicarboxylic acids to generate a specific cross-linked hydrogel capable of supporting different amounts of γ-cyclodextrin (γ-CD) was evaluated. According to the interaction energies calculated with the in-silico studies, the hydrogel made from PVA cross-linked with succinic acids (SA) was shown to be the best candidate for containing γ-CD. Later, molecular dynamics simulation studies were performed in order to evaluate the intermolecular interactions between PDN and three cross-linked hydrogel formulations with different proportions of γ-CD (2.44%, 4.76% and 9.1%). These three cross-linked hydrogels were synthesized and characterized. The loading and the subsequent release of PDN from the hydrogels were investigated. The in-silico and experimental results showed that the interaction between PDN and γ-CDHSA was mainly produced with the γ-CDs linked to the hydrogels. Thus, the unique structures and properties of γ-CDHSA demonstrated an interesting multiphasic profile that could be utilized as a promising drug carrier for controlled, sustained and localized release of PDN. PMID:29518980

Reduction of vibration by using mechatronical subsystem

NASA Astrophysics Data System (ADS)

Białas, K.; Buchacz, A.

2015-11-01

The primary aim introduced in this paper is synthesis of mechatronical system understand as planning of this type of systems. Mechatronical system is consisted of fundamental mechanical system and subsystem reducing vibration including electric elements. Fundamental system is received applying reverse task of dynamic (synthesis) and it's including inertial and elastic elements. The subsystem includes electric elements by means moving-coil transducer. The synthesis can also be used to change the already existing systems. Due to the method, introduced in this work, may be performed as early as whilst the designing of future functions. Using this way of designing is support for designers of mechanical systems with active reducing of vibrations.

New Editions for the Apple II of the Chelsea Science Simulations.

ERIC Educational Resources Information Center

Pipeline, 1983

1983-01-01

Ten computer simulations for the Apple II are described. Subject areas of programs include: population dynamics, plant competition, enzyme kinetics, evolution and natural selection, genetic mapping, ammonia synthesis, reaction kinetics, wave interference/diffraction, satellite orbits, and particle scattering. (JN)

Development and evaluation of elastomeric materials for geothermal applications. Annual report, October 1977-December 1978

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

Mueller, W.A.; Kalfayan, S.H.; Reilly, W.W.

1979-05-15

The research involved formulation of commercially available materials and synthesis of new elastomers. Formulation studies at JPL and elsewhere produced a material having about 250-350 psi tensile strength and 30 to 80% elongation at 260/sup 0/C for at least 24 hours in simulated brine. The relationship between these laboratory test results and sealing performance in actual or simulated test conditions is not entirely clear; however, it is believed that no conventional formation or casing packer design is likely to perform well using these materials. The synthetic effort focused on high temperature block copolymers and development of curable polystyrene. Procedures weremore » worked out for synthesizing these new materials. Initial results with heat-cured unfilled polystyrene gum at 260/sup 0/C indicated a tensile strength of about 50 psi. Cast films of the first sample of polyphenyl quinoxaline-polystyrene block copolymer, which has a graft-block structure consisting of a polystyrene chain with pendant polyphenyl quinoxaline groups, showed elastomeric behavior in the required temperature range. Its tensile strength and elongation at 260/sup 0/C were 220 to 350 psi and 18 to 36%, respectively. All of these materials also showed satisfactory hydrolytic stability. A procedure for the synthesis of a linear block copolymer of this type has been devised, and the required new intermediates have been synthesized and characterized. A description of the previous year's work is included in an appendix.« less

Center for Nanophase Materials Sciences

NASA Astrophysics Data System (ADS)

Horton, Linda

2002-10-01

The Center for Nanophase Materials Sciences (CNMS) will be a user facility with a strong component of joint, collaborative research. CNMS is being developed, together with the scientific community, with support from DOE's Office of Basic Energy Sciences. The Center will provide a thriving, multidisciplinary environment for research as well as the education of students and postdoctoral scholars. It will be co-located with the Spallation Neutron Source (SNS) and the Joint Institute for Neutron Sciences (JINS). The CNMS will integrate nanoscale research with neutron science, synthesis science, and theory/modeling/simulation, bringing together four areas in which the United States has clear national research and educational needs. The Center's research will be organized under three scientific thrusts: nano-dimensioned "soft" materials (including organic, hybrid, and interfacial nanophases); complex "hard" materials systems (including the crosscutting areas of interfaces and reduced dimensionality that become scientifically critical on the nanoscale); and theory/modeling/simulation. This presentation will summarize the progress towards identification of the specific research focus topics for the Center. Currently proposed topics, based on two workshops with the potential user community, include catalysis, nanomagnetism, synthetic and bio-inspired macromolecular materials, nanophase biomaterials, nanofluidics, optics/photonics, carbon-based nanostructures, collective behavior, nanoscale interface science, virtual synthesis and nanomaterials design, and electronic structure, correlations, and transport. In addition, the proposed 80,000 square foot facility (wet/dry labs, nanofabrication clean rooms, and offices) and the associated technical equipment will be described. The CNMS is scheduled to begin construction in spring, 2003. Initial operations are planned for late in 2004.

The Challenge of Self-Directed and Self-Regulated Learning in Vocational Education: A Theoretical Analysis and Synthesis of Requirements

ERIC Educational Resources Information Center

Jossberger, Helen; Brand-Gruwel, Saskia; Boshuizen, Henny; van de Wiel, Margje

2010-01-01

Workplace simulations (WPS), authentic learning environments at school, are increasingly used in vocational education. This article provides a theoretical analysis and synthesis of requirements considering learner skills, characteristics of the learning environment and the role of the teacher that influence good functioning in WPS and foster…

Improving the time efficiency of the Fourier synthesis method for slice selection in magnetic resonance imaging.

PubMed

Tahayori, B; Khaneja, N; Johnston, L A; Farrell, P M; Mareels, I M Y

2016-01-01

The design of slice selective pulses for magnetic resonance imaging can be cast as an optimal control problem. The Fourier synthesis method is an existing approach to solve these optimal control problems. In this method the gradient field as well as the excitation field are switched rapidly and their amplitudes are calculated based on a Fourier series expansion. Here, we provide a novel insight into the Fourier synthesis method via representing the Bloch equation in spherical coordinates. Based on the spherical Bloch equation, we propose an alternative sequence of pulses that can be used for slice selection which is more time efficient compared to the original method. Simulation results demonstrate that while the performance of both methods is approximately the same, the required time for the proposed sequence of pulses is half of the original sequence of pulses. Furthermore, the slice selectivity of both sequences of pulses changes with radio frequency field inhomogeneities in a similar way. We also introduce a measure, referred to as gradient complexity, to compare the performance of both sequences of pulses. This measure indicates that for a desired level of uniformity in the excited slice, the gradient complexity for the proposed sequence of pulses is less than the original sequence. Copyright © 2015 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Library design practices for success in lead generation with small molecule libraries.

PubMed

Goodnow, R A; Guba, W; Haap, W

2003-11-01

The generation of novel structures amenable to rapid and efficient lead optimization comprises an emerging strategy for success in modern drug discovery. Small molecule libraries of sufficient size and diversity to increase the chances of discovery of novel structures make the high throughput synthesis approach the method of choice for lead generation. Despite an industry trend for smaller, more focused libraries, the need to generate novel lead structures makes larger libraries a necessary strategy. For libraries of a several thousand or more members, solid phase synthesis approaches are the most suitable. While the technology and chemistry necessary for small molecule library synthesis continue to advance, success in lead generation requires rigorous consideration in the library design process to ensure the synthesis of molecules possessing the proper characteristics for subsequent lead optimization. Without proper selection of library templates and building blocks, solid phase synthesis methods often generate molecules which are too heavy, too lipophilic and too complex to be useful for lead optimization. The appropriate filtering of virtual library designs with multiple computational tools allows the generation of information-rich libraries within a drug-like molecular property space. An understanding of the hit-to-lead process provides a practical guide to molecular design characteristics. Examples of leads generated from library approaches also provide a benchmarking of successes as well as aspects for continued development of library design practices.

Simulation-Based Bronchoscopy Training

PubMed Central

Kennedy, Cassie C.; Maldonado, Fabien

2013-01-01

Background: Simulation-based bronchoscopy training is increasingly used, but effectiveness remains uncertain. We sought to perform a comprehensive synthesis of published work on simulation-based bronchoscopy training. Methods: We searched MEDLINE, EMBASE, CINAHL, PsycINFO, ERIC, Web of Science, and Scopus for eligible articles through May 11, 2011. We included all original studies involving health professionals that evaluated, in comparison with no intervention or an alternative instructional approach, simulation-based training for flexible or rigid bronchoscopy. Study selection and data abstraction were performed independently and in duplicate. We pooled results using random effects meta-analysis. Results: From an initial pool of 10,903 articles, we identified 17 studies evaluating simulation-based bronchoscopy training. In comparison with no intervention, simulation training was associated with large benefits on skills and behaviors (pooled effect size, 1.21 [95% CI, 0.82-1.60]; n = 8 studies) and moderate benefits on time (0.62 [95% CI, 0.12-1.13]; n = 7). In comparison with clinical instruction, behaviors with real patients showed nonsignificant effects favoring simulation for time (0.61 [95% CI, −1.47 to 2.69]) and process (0.33 [95% CI, −1.46 to 2.11]) outcomes (n = 2 studies each), although variation in training time might account for these differences. Four studies compared alternate simulation-based training approaches. Inductive analysis to inform instructional design suggested that longer or more structured training is more effective, authentic clinical context adds value, and animal models and plastic part-task models may be superior to more costly virtual-reality simulators. Conclusions: Simulation-based bronchoscopy training is effective in comparison with no intervention. Comparative effectiveness studies are few. PMID:23370487

Design and Synthesis of Biaryl DNA-Encoded Libraries.

PubMed

Ding, Yun; Franklin, G Joseph; DeLorey, Jennifer L; Centrella, Paolo A; Mataruse, Sibongile; Clark, Matthew A; Skinner, Steven R; Belyanskaya, Svetlana

2016-10-10

DNA-encoded library technology (ELT) is a powerful tool for the discovery of new small-molecule ligands to various protein targets. Here we report the design and synthesis of biaryl DNA-encoded libraries based on the scaffold of 5-formyl 3-iodobenzoic acid. Three reactions on DNA template, acylation, Suzuki-Miyaura coupling and reductive amination, were applied in the library synthesis. The three cycle library of 3.5 million diversity has delivered potent hits for phosphoinositide 3-kinase α (PI3Kα).

Isotopic composition of Murchison organic compounds: Intramolecular carbon isotope fractionation of acetic acid. Simulation studies of cosmochemical organic syntheses

NASA Technical Reports Server (NTRS)

Yuen, G. U.; Cronin, J. R.; Blair, N. E.; Desmarais, D. J.; Chang, S.

1991-01-01

Recently, in our laboratories, samples of Murchison acetic acid were decarboxylated successfully and the carbon isotopic composition was measured for the methane released by this procedure. These analyses showed significant differences in C-13/C-12 ratios for the methyl and carboxyl carbons of the acetic acid molecule, strongly suggesting that more than one carbon source may be involved in the synthesis of the Murchison organic compounds. On the basis of this finding, laboratory model systems simulating cosmochemical synthesis are being studied, especially those processes capable of involving two or more starting carbon sources.

Simulation of the self-assembly of colloidal droplets in a micro-channel

NASA Astrophysics Data System (ADS)

Ge, Zhouyang; Brandt, Luca

2016-11-01

In colloidal sciences, much progress has been made on the synthesis of complex building blocks mimicking molecular structures to elaborate innovative materials. The basic elements of such colloidal molecules are particles or droplets less than one millimeter in size. Their self-assembly relies on either lengthy brownian motion or careful microfludic designs, on top of typical colloidal interactions, e.g. depletion attraction. Regardless of the approach, however, questions remain why the colloids undergo certain path to organize themselves and how such process can be optimized. Here, we perform direct numerical simulations using a Navier-Stokes solver at low Reynolds number, combined with either the immersed boundary method (IBM) or a newly-proposed level set (LS) method for interface description. In the IBM simulations, the colloids are treated as rigid, spherical particles under a Lennard-Jones-like potential, reproducing attractive depletion force. Results show that, for four particles, a planar diamond is formed under a weak potential while a 3D tetrahedron is formed under a strong potential, which agree qualitatively with experiments. In the next step, LS simulation of colloidal droplets will be performed to investigate the roles of surface tension in the self-assembly. This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No 664823.

A Compact Synchronous Cellular Model of Nonlinear Calcium Dynamics: Simulation and FPGA Synthesis Results.

PubMed

Soleimani, Hamid; Drakakis, Emmanuel M

2017-06-01

Recent studies have demonstrated that calcium is a widespread intracellular ion that controls a wide range of temporal dynamics in the mammalian body. The simulation and validation of such studies using experimental data would benefit from a fast large scale simulation and modelling tool. This paper presents a compact and fully reconfigurable cellular calcium model capable of mimicking Hopf bifurcation phenomenon and various nonlinear responses of the biological calcium dynamics. The proposed cellular model is synthesized on a digital platform for a single unit and a network model. Hardware synthesis, physical implementation on FPGA, and theoretical analysis confirm that the proposed cellular model can mimic the biological calcium behaviors with considerably low hardware overhead. The approach has the potential to speed up large-scale simulations of slow intracellular dynamics by sharing more cellular units in real-time. To this end, various networks constructed by pipelining 10 k to 40 k cellular calcium units are compared with an equivalent simulation run on a standard PC workstation. Results show that the cellular hardware model is, on average, 83 times faster than the CPU version.

ASIC implementation of recursive scaled discrete cosine transform algorithm

NASA Astrophysics Data System (ADS)

On, Bill N.; Narasimhan, Sam; Huang, Victor K.

1994-05-01

A program to implement the Recursive Scaled Discrete Cosine Transform (DCT) algorithm as proposed by H. S. Hou has been undertaken at the Institute of Microelectronics. Implementation of the design was done using top-down design methodology with VHDL (VHSIC Hardware Description Language) for chip modeling. When the VHDL simulation has been satisfactorily completed, the design is synthesized into gates using a synthesis tool. The architecture of the design consists of two processing units together with a memory module for data storage and transpose. Each processing unit is composed of four pipelined stages which allow the internal clock to run at one-eighth (1/8) the speed of the pixel clock. Each stage operates on eight pixels in parallel. As the data flows through each stage, there are various adders and multipliers to transform them into the desired coefficients. The Scaled IDCT was implemented in a similar fashion with the adders and multipliers rearranged to perform the inverse DCT algorithm. The chip has been verified using Field Programmable Gate Array devices. The design is operational. The combination of fewer multiplications required and pipelined architecture give Hou's Recursive Scaled DCT good potential of achieving high performance at a low cost in using Very Large Scale Integration implementation.

Designing and Implementing a Capstone Gerontology Seminar: Synthesis and Action

ERIC Educational Resources Information Center

Sasser, Jennifer R.

2005-01-01

This paper focuses on the design and implementation of Gerontology: Synthesis and Action, the capstone seminar for the undergraduate and graduate certificate in gerontology program at Marylhurst University, a small, private liberal arts university in the Portland, Oregon metropolitan area. The institutional and programmatic context in which this…

Benign by design: catalyst-free in-water, on-water green chemical methodologies in organic synthesis

EPA Science Inventory

The development of organic synthesis under sustainable conditions is a primary goal of practicing green chemists who want to prevent pollution and design safer pathways. Although, it is challenging to avoid the use of catalysts, or solvents in all the organic reactions but progre...

Exploration of the Maximum Entropy/Optimal Projection Approach to Control Design Synthesis for Large Space Structures.

DTIC Science & Technology

1985-02-01

Energy Analysis , a branch of dynamic modal analysis developed for analyzing acoustic vibration problems, its present stage of development embodies a...Maximum Entropy Stochastic Modelling and Reduced-Order Design Synthesis is a rigorous new approach to this class of problems. Inspired by Statistical

RNA design rules from a massive open laboratory

PubMed Central

Lee, Jeehyung; Kladwang, Wipapat; Lee, Minjae; Cantu, Daniel; Azizyan, Martin; Kim, Hanjoo; Limpaecher, Alex; Gaikwad, Snehal; Yoon, Sungroh; Treuille, Adrien; Das, Rhiju

2014-01-01

Self-assembling RNA molecules present compelling substrates for the rational interrogation and control of living systems. However, imperfect in silico models—even at the secondary structure level—hinder the design of new RNAs that function properly when synthesized. Here, we present a unique and potentially general approach to such empirical problems: the Massive Open Laboratory. The EteRNA project connects 37,000 enthusiasts to RNA design puzzles through an online interface. Uniquely, EteRNA participants not only manipulate simulated molecules but also control a remote experimental pipeline for high-throughput RNA synthesis and structure mapping. We show herein that the EteRNA community leveraged dozens of cycles of continuous wet laboratory feedback to learn strategies for solving in vitro RNA design problems on which automated methods fail. The top strategies—including several previously unrecognized negative design rules—were distilled by machine learning into an algorithm, EteRNABot. Over a rigorous 1-y testing phase, both the EteRNA community and EteRNABot significantly outperformed prior algorithms in a dozen RNA secondary structure design tests, including the creation of dendrimer-like structures and scaffolds for small molecule sensors. These results show that an online community can carry out large-scale experiments, hypothesis generation, and algorithm design to create practical advances in empirical science. PMID:24469816

Identification of key residues modulating the stereoselectivity of nitrile hydratase toward rac-mandelonitrile by semi-rational engineering.

PubMed

Cheng, Zhongyi; Peplowski, Lukasz; Cui, Wenjing; Xia, Yuanyuan; Liu, Zhongmei; Zhang, Jialei; Kobayashi, Michihiko; Zhou, Zhemin

2018-03-01

Optically pure compounds are important in the synthesis of fine chemicals. Using directed evolution of enzymes to obtain biocatalysts that can selectively produce high-value chiral chemicals is often time-, money-, and resource-intensive; traditional semi-rational designs based on structural data and docking experiments are still limited due to the lack of accurate selection of hot-spot residues. In this study, through ligand-protein collision counts based on steered molecular dynamics simulation, we accurately identified four residues related to improving nitrile hydratase stereoselectivity toward rac-mandelonitrile (MAN). All the four selected residues had numerous collisions with rac-MAN. Five mutants significantly shifting stereoselectivity towards (S)-MAN were obtained from site-saturation mutagenesis, one of them, at position βPhe37, exhibiting efficient production of (S)-MAN with 96.8% ee p , was isolated and further analyzed. The increased pulling force observed during SMD simulation was found to be in good coincidence with the formation of hydrogen bonds between (R)-MAN and residue βHis37. (R)-MAN had to break these barriers to enter the active site of nitrile hydratase and S selectivity was thus improved. The results indicated that combining steered molecular dynamics simulation with a traditional semi-rational design significantly reduced the select range of hot-spot residues for the evolution of NHase stereoselectivity, which could serve as an alternative for the modulation of enzyme stereoselectivity. © 2017 Wiley Periodicals, Inc.

Structure-based design of novel naproxen derivatives targeting monomeric nucleoprotein of Influenza A virus

PubMed Central

Tarus, Bogdan; Bertrand, Hélène; Zedda, Gloria; Di Primo, Carmelo; Quideau, Stéphane; Slama-Schwok, Anny

2015-01-01

The nucleoprotein (NP) binds the viral RNA genome as oligomers assembled with the polymerase in a ribonucleoprotein complex required for transcription and replication of influenza A virus. Novel antiviral candidates targeting the nucleoprotein either induced higher order oligomers or reduced NP oligomerization by targeting the oligomerization loop and blocking its insertion into adjacent nucleoprotein subunit. In this study, we used a different structure-based approach to stabilize monomers of the nucleoprotein by drugs binding in its RNA-binding groove. We recently identified naproxen as a drug competing with RNA binding to NP with antiinflammatory and antiviral effects against influenza A virus. Here, we designed novel derivatives of naproxen by fragment extension for improved binding to NP. Molecular dynamics simulations suggested that among these derivatives, naproxen A and C0 were most promising. Their chemical synthesis is described. Both derivatives markedly stabilized NP monomer against thermal denaturation. Naproxen C0 bound tighter to NP than naproxen at a binding site predicted by MD simulations and shown by competition experiments using wt NP or single-point mutants as determined by surface plasmon resonance. MD simulations suggested that impeded oligomerization and stabilization of monomeric NP is likely to be achieved by drugs binding in the RNA grove and inducing close to their binding site conformational changes of key residues hosting the oligomerization loop as observed for the naproxen derivatives. Naproxen C0 is a potential antiviral candidate blocking influenza nucleoprotein function. PMID:25333630

Structure-based design of novel naproxen derivatives targeting monomeric nucleoprotein of Influenza A virus.

PubMed

Tarus, Bogdan; Bertrand, Hélène; Zedda, Gloria; Di Primo, Carmelo; Quideau, Stéphane; Slama-Schwok, Anny

2015-09-01

The nucleoprotein (NP) binds the viral RNA genome as oligomers assembled with the polymerase in a ribonucleoprotein complex required for transcription and replication of influenza A virus. Novel antiviral candidates targeting the nucleoprotein either induced higher order oligomers or reduced NP oligomerization by targeting the oligomerization loop and blocking its insertion into adjacent nucleoprotein subunit. In this study, we used a different structure-based approach to stabilize monomers of the nucleoprotein by drugs binding in its RNA-binding groove. We recently identified naproxen as a drug competing with RNA binding to NP with antiinflammatory and antiviral effects against influenza A virus. Here, we designed novel derivatives of naproxen by fragment extension for improved binding to NP. Molecular dynamics simulations suggested that among these derivatives, naproxen A and C0 were most promising. Their chemical synthesis is described. Both derivatives markedly stabilized NP monomer against thermal denaturation. Naproxen C0 bound tighter to NP than naproxen at a binding site predicted by MD simulations and shown by competition experiments using wt NP or single-point mutants as determined by surface plasmon resonance. MD simulations suggested that impeded oligomerization and stabilization of monomeric NP is likely to be achieved by drugs binding in the RNA grove and inducing close to their binding site conformational changes of key residues hosting the oligomerization loop as observed for the naproxen derivatives. Naproxen C0 is a potential antiviral candidate blocking influenza nucleoprotein function.

DNA-based random number generation in security circuitry.

PubMed

Gearheart, Christy M; Arazi, Benjamin; Rouchka, Eric C

2010-06-01

DNA-based circuit design is an area of research in which traditional silicon-based technologies are replaced by naturally occurring phenomena taken from biochemistry and molecular biology. This research focuses on further developing DNA-based methodologies to mimic digital data manipulation. While exhibiting fundamental principles, this work was done in conjunction with the vision that DNA-based circuitry, when the technology matures, will form the basis for a tamper-proof security module, revolutionizing the meaning and concept of tamper-proofing and possibly preventing it altogether based on accurate scientific observations. A paramount part of such a solution would be self-generation of random numbers. A novel prototype schema employs solid phase synthesis of oligonucleotides for random construction of DNA sequences; temporary storage and retrieval is achieved through plasmid vectors. A discussion of how to evaluate sequence randomness is included, as well as how these techniques are applied to a simulation of the random number generation circuitry. Simulation results show generated sequences successfully pass three selected NIST random number generation tests specified for security applications.

Design of Power System Architectures for Small Spacecraft Systems

NASA Technical Reports Server (NTRS)

Momoh, James A.; Subramonian, Rama; Dias, Lakshman G.

1996-01-01

The objective of this research is to perform a trade study on several candidate power system architectures for small spacecrafts to be used in NASA's new millennium program. Three initial candidate architectures have been proposed by NASA and two other candidate architectures have been proposed by Howard University. Howard University is currently conducting the necessary analysis, synthesis, and simulation needed to perform the trade studies and arrive at the optimal power system architecture. Statistical, sensitivity and tolerant studies has been performed on the systems. It is concluded from present studies that certain components such as the series regulators, buck-boost converters and power converters can be minimized while retaining the desired functionality of the overall architecture. This in conjunction with battery scalability studies and system efficiency studies have enabled us to develop more economic architectures. Future studies will include artificial neural networks and fuzzy logic to analyze the performance of the systems. Fault simulation studies and fault diagnosis studies using EMTP and artificial neural networks will also be conducted.

A serious game for learning ultrasound-guided needle placement skills.

PubMed

Chan, Wing-Yin; Qin, Jing; Chui, Yim-Pan; Heng, Pheng-Ann

2012-11-01

Ultrasound-guided needle placement is a key step in a lot of radiological intervention procedures such as biopsy, local anesthesia and fluid drainage. To help training future intervention radiologists, we develop a serious game to teach the skills involved. We introduce novel techniques for realistic simulation and integrate game elements for active and effective learning. This game is designed in the context of needle placement training based on the some essential characteristics of serious games. Training scenarios are interactively generated via a block-based construction scheme. A novel example-based texture synthesis technique is proposed to simulate corresponding ultrasound images. Game levels are defined based on the difficulties of the generated scenarios. Interactive recommendation of desirable insertion paths is provided during the training as an adaptation mechanism. We also develop a fast physics-based approach to reproduce the shadowing effect of needles in ultrasound images. Game elements such as time-attack tasks, hints and performance evaluation tools are also integrated in our system. Extensive experiments are performed to validate its feasibility for training.

Design and in vitro evaluation of a novel poly(methacrylic acid)/metronidazole antibacterial nanogel as an oral dosage form.

PubMed

Chen, Tao; Chen, Liang; Li, Haicheng; Chen, Yuhui; Guo, Huixin; Shu, Yang; Chen, Zhiyu; Cai, Changhui; Guo, Lina; Zhang, Xianen; Zhou, Lin; Zhong, Qiu

2014-06-01

To overcome the undesirable side-effects of metronidazole (MTZ), ethylene glycol dimethacrylate is used as the cross-linker, and a series of poly(methacrylic acid) (PMAA) nanogels were prepared to load the MTZ. We investigated the morphology, size, in vitro release property in the simulated gastrointestinal medium, long-term antibacterial performance against Bacteroides fragilis, cytotoxicity, stability and activity of this novel MTZ/PMAA nanogel. The results indicate that the MTZ/PMAA nanogel sustained the release of MTZ in long-term antibacterial activity in the simulated gastrointestinal medium. This MTZ/PMAA nanogel exhibits less cytotoxicity than MTZ alone, suggesting that MTZ/PMAA nanogel is a more useful dosage form than MTZ for mild-to-moderate Clostridium difficile infections. The novel aspects of this study include the synthesis of a nanogel and the three-phase study of the release profile, which might be useful for other researchers in this field. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

Techno-economic assessment of integrating methanol or Fischer-Tropsch synthesis in a South African sugar mill.

PubMed

Petersen, Abdul M; Farzad, Somayeh; Görgens, Johann F

2015-05-01

This study considered an average-sized sugar mill in South Africa that crushes 300 wet tonnes per hour of cane, as a host for integrating methanol and Fischer-Tropsch synthesis, through gasification of a combined flow of sugarcane trash and bagasse. Initially, it was shown that the conversion of biomass to syngas is preferably done by catalytic allothermal gasification instead of catalytic autothermal gasification. Thereafter, conventional and advanced synthesis routes for both Methanol and Fischer-Tropsch products were simulated with Aspen Plus® software and compared by technical and economic feasibility. Advanced FT synthesis satisfied the overall energy demands, but was not economically viable for a private investment. Advanced methanol synthesis is also not viable for private investment since the internal rate of return was 21.1%, because it could not provide the steam that the sugar mill required. The conventional synthesis routes had less viability than the corresponding advanced synthesis routes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Applications of cell-free protein synthesis in synthetic biology: Interfacing bio-machinery with synthetic environments.

PubMed

Lee, Kyung-Ho; Kim, Dong-Myung

2013-11-01

Synthetic biology is built on the synthesis, engineering, and assembly of biological parts. Proteins are the first components considered for the construction of systems with designed biological functions because proteins carry out most of the biological functions and chemical reactions inside cells. Protein synthesis is considered to comprise the most basic levels of the hierarchical structure of synthetic biology. Cell-free protein synthesis has emerged as a powerful technology that can potentially transform the concept of bioprocesses. With the ability to harness the synthetic power of biology without many of the constraints of cell-based systems, cell-free protein synthesis enables the rapid creation of protein molecules from diverse sources of genetic information. Cell-free protein synthesis is virtually free from the intrinsic constraints of cell-based methods and offers greater flexibility in system design and manipulability of biological synthetic machinery. Among its potential applications, cell-free protein synthesis can be combined with various man-made devices for rapid functional analysis of genomic sequences. This review covers recent efforts to integrate cell-free protein synthesis with various reaction devices and analytical platforms. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computational Systems for Multidisciplinary Applications

NASA Technical Reports Server (NTRS)

Soni, Bharat; Haupt, Tomasz; Koomullil, Roy; Luke, Edward; Thompson, David

2002-01-01

In this paper, we briefly describe our efforts to develop complex simulation systems. We focus first on four key infrastructure items: enterprise computational services, simulation synthesis, geometry modeling and mesh generation, and a fluid flow solver for arbitrary meshes. We conclude by presenting three diverse applications developed using these technologies.

Total Synthesis of Ionic Liquid Systems for Dissolution of Lunar Simulant

NASA Technical Reports Server (NTRS)

Sharpe, Robert J.; Karr, Laurel J.; Paley, Mark S.

2010-01-01

For purposes of Space Resource Utilization, work in the total synthesis of a new ionic liquid system for the extraction of oxygen and metals from lunar soil is studied and described. Reactions were carried out according to procedures found in the chemical literature, analyzed via Thin-Layer Chromatography and 1H Nuclear Magnetic Resonance Spectroscopy and purified via vacuum distillation and rotary evaporation. Upon final analysis via 1H NMR, it was found that while the intermediates of the synthesis had been achieved, unexpected side products were also present. The mechanisms and constraints of the synthesis are described as well as the final results of the project and recommendations for continued study

Biology Teacher and Expert Opinions about Computer Assisted Biology Instruction Materials: A Software Entitled Nucleic Acids and Protein Synthesis

ERIC Educational Resources Information Center

Hasenekoglu, Ismet; Timucin, Melih

2007-01-01

The aim of this study is to collect and evaluate opinions of CAI experts and biology teachers about a high school level Computer Assisted Biology Instruction Material presenting computer-made modelling and simulations. It is a case study. A material covering "Nucleic Acids and Protein Synthesis" topic was developed as the…

Variance in binary stellar population synthesis

NASA Astrophysics Data System (ADS)

Breivik, Katelyn; Larson, Shane L.

2016-03-01

In the years preceding LISA, Milky Way compact binary population simulations can be used to inform the science capabilities of the mission. Galactic population simulation efforts generally focus on high fidelity models that require extensive computational power to produce a single simulated population for each model. Each simulated population represents an incomplete sample of the functions governing compact binary evolution, thus introducing variance from one simulation to another. We present a rapid Monte Carlo population simulation technique that can simulate thousands of populations in less than a week, thus allowing a full exploration of the variance associated with a binary stellar evolution model.

Simulating Activities: Relating Motives, Deliberation and Attentive Coordination

NASA Technical Reports Server (NTRS)

Clancey, William J.; Clancy, Daniel (Technical Monitor)

2002-01-01

Activities are located behaviors, taking time, conceived as socially meaningful, and usually involving interaction with tools and the environment. In modeling human cognition as a form of problem solving (goal-directed search and operator sequencing), cognitive science researchers have not adequately studied "off-task" activities (e.g., waiting), non-intellectual motives (e.g., hunger), sustaining a goal state (e.g., playful interaction), and coupled perceptual-motor dynamics (e.g., following someone). These aspects of human behavior have been considered in bits and pieces in past research, identified as scripts, human factors, behavior settings, ensemble, flow experience, and situated action. More broadly, activity theory provides a comprehensive framework relating motives, goals, and operations. This paper ties these ideas together, using examples from work life in a Canadian High Arctic research station. The emphasis is on simulating human behavior as it naturally occurs, such that "working" is understood as an aspect of living. The result is a synthesis of previously unrelated analytic perspectives and a broader appreciation of the nature of human cognition. Simulating activities in this comprehensive way is useful for understanding work practice, promoting learning, and designing better tools, including human-robot systems.

Exact Synthesis of Reversible Circuits Using A* Algorithm

NASA Astrophysics Data System (ADS)

Datta, K.; Rathi, G. K.; Sengupta, I.; Rahaman, H.

2015-06-01

With the growing emphasis on low-power design methodologies, and the result that theoretical zero power dissipation is possible only if computations are information lossless, design and synthesis of reversible logic circuits have become very important in recent years. Reversible logic circuits are also important in the context of quantum computing, where the basic operations are reversible in nature. Several synthesis methodologies for reversible circuits have been reported. Some of these methods are termed as exact, where the motivation is to get the minimum-gate realization for a given reversible function. These methods are computationally very intensive, and are able to synthesize only very small functions. There are other methods based on function transformations or higher-level representation of functions like binary decision diagrams or exclusive-or sum-of-products, that are able to handle much larger circuits without any guarantee of optimality or near-optimality. Design of exact synthesis algorithms is interesting in this context, because they set some kind of benchmarks against which other methods can be compared. This paper proposes an exact synthesis approach based on an iterative deepening version of the A* algorithm using the multiple-control Toffoli gate library. Experimental results are presented with comparisons with other exact and some heuristic based synthesis approaches.

Comparative Model Evaluation Studies of Biogenic Trace Gas Fluxes in Tropical Forests

NASA Technical Reports Server (NTRS)

Potter, C. S.; Peterson, David L. (Technical Monitor)

1997-01-01

Simulation modeling can play a number of important roles in large-scale ecosystem studies, including synthesis of patterns and changes in carbon and nutrient cycling dynamics, scaling up to regional estimates, and formulation of testable hypotheses for process studies. Recent comparative studies have shown that ecosystem models of soil trace gas exchange with the atmosphere are evolving into several distinct simulation approaches. Different levels of detail exist among process models in the treatment of physical controls on ecosystem nutrient fluxes and organic substrate transformations leading to gas emissions. These differences are is in part from distinct objectives of scaling and extrapolation. Parameter requirements for initialization scalings, boundary conditions, and time-series driven therefore vary among ecosystem simulation models, such that the design of field experiments for integration with modeling should consider a consolidated series of measurements that will satisfy most of the various model requirements. For example, variables that provide information on soil moisture holding capacity, moisture retention characteristics, potential evapotranspiration and drainage rates, and rooting depth appear to be of the first order in model evaluation trials for tropical moist forest ecosystems. The amount and nutrient content of labile organic matter in the soil, based on accurate plant production estimates, are also key parameters that determine emission model response. Based on comparative model results, it is possible to construct a preliminary evaluation matrix along categories of key diagnostic parameters and temporal domains. Nevertheless, as large-scale studied are planned, it is notable that few existing models age designed to simulate transient states of ecosystem change, a feature which will be essential for assessment of anthropogenic disturbance on regional gas budgets, and effects of long-term climate variability on biosphere-atmosphere exchange.

Synthesis: Part II, Land Use Attractiveness.

ERIC Educational Resources Information Center

Pressman, Rob

This material includes student guide sheets, reference material, and tape script for the audio-tutorial unit on the Synthesis Unit, Land Use Attractiveness. An audiotape is used with the materials. The material is designed for use with Connecticut schools, but can be adapted to other localities. The unit is designed to build on skills and…

Frequency Based Design Partitioning to Achieve Higher Throughput in Digital Cross Correlator for Aperture Synthesis Passive MMW Imager.

PubMed

Asif, Muhammad; Guo, Xiangzhou; Zhang, Jing; Miao, Jungang

2018-04-17

Digital cross-correlation is central to many applications including but not limited to Digital Image Processing, Satellite Navigation and Remote Sensing. With recent advancements in digital technology, the computational demands of such applications have increased enormously. In this paper we are presenting a high throughput digital cross correlator, capable of processing 1-bit digitized stream, at the rate of up to 2 GHz, simultaneously on 64 channels i.e., approximately 4 Trillion correlation and accumulation operations per second. In order to achieve higher throughput, we have focused on frequency based partitioning of our design and tried to minimize and localize high frequency operations. This correlator is designed for a Passive Millimeter Wave Imager intended for the detection of contraband items concealed on human body. The goals are to increase the system bandwidth, achieve video rate imaging, improve sensitivity and reduce the size. Design methodology is detailed in subsequent sections, elaborating the techniques enabling high throughput. The design is verified for Xilinx Kintex UltraScale device in simulation and the implementation results are given in terms of device utilization and power consumption estimates. Our results show considerable improvements in throughput as compared to our baseline design, while the correlator successfully meets the functional requirements.

Organic synthesis in experimental impact shocks

NASA Technical Reports Server (NTRS)

McKay, C. P.; Borucki, W. J.

1997-01-01

Laboratory simulations of shocks created with a high-energy laser demonstrate that the efficacy of organic production depends on the molecular, not just the elemental composition of the shocked gas. In a methane-rich mixture that simulates a low-temperature equilibrium mixture of cometary material, hydrogen cyanide and acetylene were produced with yields of 5 x 10(17) molecules per joule. Repeated shocking of the methane-rich mixture produced amine groups, suggesting the possible synthesis of amino acids. No organic molecules were produced in a carbon dioxide-rich mixture, which is at odds with thermodynamic equilibrium approaches to shock chemistry and has implications for the modeling of shock-produced organic molecules on early Earth.

Synthesis of the Commercial Fragrance Compound Ethyl 6-Acetoxyhexanoate: A Multistep Ester Experiment for the Second-Year Organic Laboratory

ERIC Educational Resources Information Center

McCullagh, James V.; Hirakis, Sophia P.

2017-01-01

This synthesis of ethyl 6-acetoxyhexanoate (Berryflor) is designed as an experiment for use in a second-year organic chemistry course focusing on the synthesis and reaction of esters. The compound is described as having a raspberry-like odor with jasmine and anise aspects. A two-step procedure for its synthesis beginning with inexpensive…

Modular synthesis of a dual metal-dual semiconductor nano-heterostructure

DOE PAGES

Amirav, Lilac; Oba, Fadekemi; Aloni, Shaul; ...

2015-04-29

Reported is the design and modular synthesis of a dual metal-dual semiconductor heterostructure with control over the dimensions and placement of its individual components. Analogous to molecular synthesis, colloidal synthesis is now evolving into a series of sequential synthetic procedures with separately optimized steps. Here we detail the challenges and parameters that must be considered when assembling such a multicomponent nanoparticle, and their solutions.

An Old Story in the Parallel Synthesis World: An Approach to Hydantoin Libraries.

PubMed

Bogolubsky, Andrey V; Moroz, Yurii S; Savych, Olena; Pipko, Sergey; Konovets, Angelika; Platonov, Maxim O; Vasylchenko, Oleksandr V; Hurmach, Vasyl V; Grygorenko, Oleksandr O

2018-01-08

An approach to the parallel synthesis of hydantoin libraries by reaction of in situ generated 2,2,2-trifluoroethylcarbamates and α-amino esters was developed. To demonstrate utility of the method, a library of 1158 hydantoins designed according to the lead-likeness criteria (MW 200-350, cLogP 1-3) was prepared. The success rate of the method was analyzed as a function of physicochemical parameters of the products, and it was found that the method can be considered as a tool for lead-oriented synthesis. A hydantoin-bearing submicromolar primary hit acting as an Aurora kinase A inhibitor was discovered with a combination of rational design, parallel synthesis using the procedures developed, in silico and in vitro screenings.

Dual-nozzle microfluidic droplet generator

NASA Astrophysics Data System (ADS)

Choi, Ji Wook; Lee, Jong Min; Kim, Tae Hyun; Ha, Jang Ho; Ahrberg, Christian D.; Chung, Bong Geun

2018-05-01

The droplet-generating microfluidics has become an important technique for a variety of applications ranging from single cell analysis to nanoparticle synthesis. Although there are a large number of methods for generating and experimenting with droplets on microfluidic devices, the dispensing of droplets from these microfluidic devices is a challenge due to aggregation and merging of droplets at the interface of microfluidic devices. Here, we present a microfluidic dual-nozzle device for the generation and dispensing of uniform-sized droplets. The first nozzle of the microfluidic device is used for the generation of the droplets, while the second nozzle can accelerate the droplets and increase the spacing between them, allowing for facile dispensing of droplets. Computational fluid dynamic simulations were conducted to optimize the design parameters of the microfluidic device.

Simultaneous tracking and regulation visual servoing of wheeled mobile robots with uncalibrated extrinsic parameters

NASA Astrophysics Data System (ADS)

Lu, Qun; Yu, Li; Zhang, Dan; Zhang, Xuebo

2018-01-01

This paper presentsa global adaptive controller that simultaneously solves tracking and regulation for wheeled mobile robots with unknown depth and uncalibrated camera-to-robot extrinsic parameters. The rotational angle and the scaled translation between the current camera frame and the reference camera frame, as well as the ones between the desired camera frame and the reference camera frame can be calculated in real time by using the pose estimation techniques. A transformed system is first obtained, for which an adaptive controller is then designed to accomplish both tracking and regulation tasks, and the controller synthesis is based on Lyapunov's direct method. Finally, the effectiveness of the proposed method is illustrated by a simulation study.

Synthesis, biological evaluation, and molecular modeling of cinnamic acyl sulfonamide derivatives as novel antitubulin agents.

PubMed

Luo, Yin; Qiu, Ke-Ming; Lu, Xiang; Liu, Kai; Fu, Jie; Zhu, Hai-Liang

2011-08-15

A series of novel cinnamic acyl sulfonamide derivatives (9a-16e) have been designed and synthesized and their biological activities were also evaluated as potential tubulin polymerization inhibitors. Among all the compounds, 10c showed the most potent growth inhibitory activity against B16-F10 cancer cell line in vitro, with an IC(50) value of 0.8μg/mL. Docking simulation was performed to insert compound 10c into the crystal structure of tubulin at colchicine binding site to determine the probable binding model. Based on the preliminary results, compound 10c with potent inhibitory activity in tumor growth may be a potential anticancer agent. Copyright © 2011 Elsevier Ltd. All rights reserved.

The Shale Hills Sensorium for Embedded Sensors, Simulation, & Visualization: A Prototype for Land-Vegetation-Atmosphere Interactions

NASA Astrophysics Data System (ADS)

Duffy, C.

2008-12-01

The future of environmental observing systems will utilize embedded sensor networks with continuous real- time measurement of hydrologic, atmospheric, biogeochemical, and ecological variables across diverse terrestrial environments. Embedded environmental sensors, benefitting from advances in information sciences, networking technology, materials science, computing capacity, and data synthesis methods, are undergoing revolutionary change. It is now possible to field spatially-distributed, multi-node sensor networks that provide density and spatial coverage previously accessible only via numerical simulation. At the same time, computational tools are advancing rapidly to the point where it is now possible to simulate the physical processes controlling individual parcels of water and solutes through the complete terrestrial water cycle. Our goal for the Penn State Critical Zone Observatory is to apply environmental sensor arrays, integrated hydrologic models, and state-of-the-art visualization deployed and coordinated at a testbed within the Penn State Experimental Forest. The Shale Hills Hydro_Sensorium prototype proposed here is designed to observe land-atmosphere interactions in four-dimensional (space and time). The term Hydro_Sensorium implies the totality of physical sensors, models and visualization tools that allow us to perceive the detailed space and time complexities of the water and energy cycle for a watershed or river basin for all physical states and fluxes (groundwater, soil moisture, temperature, streamflow, latent heat, snowmelt, chemistry, isotopes etc.). This research will ultimately catalyze the study of complex interactions between the land surface, subsurface, biological and atmospheric systems over a broad range of scales. The sensor array would be real-time and fully controllable by remote users for "computational steering" and data fusion. Presently fully-coupled physical models are being developed that link the atmosphere-land-vegetation-subsurface system into a fully-coupled distributed system. During the last 5 years the Penn State Integrated Hydrologic Modeling System has been under development as an open-source community modeling project funded by NSF EAR/GEO and NSF CBET/ENG. PIHM represents a strategy for the formulation and solution of fully-coupled process equations at the watershed and river basin scales, and includes a tightly coupled GIS tool for data handling, domain decomposition, optimal unstructured grid generation, and model parameterization. The sensor and simulation system has the following elements: 1) extensive, spatially-distributed, non- invasive, smart sensor networks to gather massive geologic, hydrologic, and geochemical data; 2) stochastic information fusion methods; 3) spatially-explicit multiphysics models/solutions of the land-vegetation- atmosphere system; and 4) asynchronous, parallel/distributed, adaptive algorithms for rapidly simulating the states of a basin at high resolution, 5) signal processing tools for data mining and parameter estimation, and 6) visualization tools. The prototype proposed sensor array and simulation system proposed here will offer a coherent new approach to environmental predictions with a fully integrated observing system design. We expect that the Shale Hills Hydro_Sensorium may provide the needed synthesis of information and conceptualization necessary to advance predictive understanding in complex hydrologic systems.

Synthesis design of artificial magnetic metamaterials using a genetic algorithm.

PubMed

Chen, P Y; Chen, C H; Wang, H; Tsai, J H; Ni, W X

2008-08-18

In this article, we present a genetic algorithm (GA) as one branch of artificial intelligence (AI) for the optimization-design of the artificial magnetic metamaterial whose structure is automatically generated by computer through the filling element methodology. A representative design example, metamaterials with permeability of negative unity, is investigated and the optimized structures found by the GA are presented. It is also demonstrated that our approach is effective for the synthesis of functional magnetic and electric metamaterials with optimal structures. This GA-based optimization-design technique shows great versatility and applicability in the design of functional metamaterials.

Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems

DOE PAGES

Rangarajan, Srinivas; Maravelias, Christos T.; Mavrikakis, Manos

2017-11-09

Here, we present a general optimization-based framework for (i) ab initio and experimental data driven mechanistic modeling and (ii) optimal catalyst design of heterogeneous catalytic systems. Both cases are formulated as a nonlinear optimization problem that is subject to a mean-field microkinetic model and thermodynamic consistency requirements as constraints, for which we seek sparse solutions through a ridge (L 2 regularization) penalty. The solution procedure involves an iterative sequence of forward simulation of the differential algebraic equations pertaining to the microkinetic model using a numerical tool capable of handling stiff systems, sensitivity calculations using linear algebra, and gradient-based nonlinear optimization.more » A multistart approach is used to explore the solution space, and a hierarchical clustering procedure is implemented for statistically classifying potentially competing solutions. An example of methanol synthesis through hydrogenation of CO and CO 2 on a Cu-based catalyst is used to illustrate the framework. The framework is fast, is robust, and can be used to comprehensively explore the model solution and design space of any heterogeneous catalytic system.« less

Novel adaptive neural control design for a constrained flexible air-breathing hypersonic vehicle based on actuator compensation

NASA Astrophysics Data System (ADS)

Bu, Xiangwei; Wu, Xiaoyan; He, Guangjun; Huang, Jiaqi

2016-03-01

This paper investigates the design of a novel adaptive neural controller for the longitudinal dynamics of a flexible air-breathing hypersonic vehicle with control input constraints. To reduce the complexity of controller design, the vehicle dynamics is decomposed into the velocity subsystem and the altitude subsystem, respectively. For each subsystem, only one neural network is utilized to approach the lumped unknown function. By employing a minimal-learning parameter method to estimate the norm of ideal weight vectors rather than their elements, there are only two adaptive parameters required for neural approximation. Thus, the computational burden is lower than the ones derived from neural back-stepping schemes. Specially, to deal with the control input constraints, additional systems are exploited to compensate the actuators. Lyapunov synthesis proves that all the closed-loop signals involved are uniformly ultimately bounded. Finally, simulation results show that the adopted compensation scheme can tackle actuator constraint effectively and moreover velocity and altitude can stably track their reference trajectories even when the physical limitations on control inputs are in effect.

Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems

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

Rangarajan, Srinivas; Maravelias, Christos T.; Mavrikakis, Manos

Here, we present a general optimization-based framework for (i) ab initio and experimental data driven mechanistic modeling and (ii) optimal catalyst design of heterogeneous catalytic systems. Both cases are formulated as a nonlinear optimization problem that is subject to a mean-field microkinetic model and thermodynamic consistency requirements as constraints, for which we seek sparse solutions through a ridge (L 2 regularization) penalty. The solution procedure involves an iterative sequence of forward simulation of the differential algebraic equations pertaining to the microkinetic model using a numerical tool capable of handling stiff systems, sensitivity calculations using linear algebra, and gradient-based nonlinear optimization.more » A multistart approach is used to explore the solution space, and a hierarchical clustering procedure is implemented for statistically classifying potentially competing solutions. An example of methanol synthesis through hydrogenation of CO and CO 2 on a Cu-based catalyst is used to illustrate the framework. The framework is fast, is robust, and can be used to comprehensively explore the model solution and design space of any heterogeneous catalytic system.« less

Neural robust stabilization via event-triggering mechanism and adaptive learning technique.

PubMed

Wang, Ding; Liu, Derong

2018-06-01

The robust control synthesis of continuous-time nonlinear systems with uncertain term is investigated via event-triggering mechanism and adaptive critic learning technique. We mainly focus on combining the event-triggering mechanism with adaptive critic designs, so as to solve the nonlinear robust control problem. This can not only make better use of computation and communication resources, but also conduct controller design from the view of intelligent optimization. Through theoretical analysis, the nonlinear robust stabilization can be achieved by obtaining an event-triggered optimal control law of the nominal system with a newly defined cost function and a certain triggering condition. The adaptive critic technique is employed to facilitate the event-triggered control design, where a neural network is introduced as an approximator of the learning phase. The performance of the event-triggered robust control scheme is validated via simulation studies and comparisons. The present method extends the application domain of both event-triggered control and adaptive critic control to nonlinear systems possessing dynamical uncertainties. Copyright © 2018 Elsevier Ltd. All rights reserved.

FAST: a framework for simulation and analysis of large-scale protein-silicon biosensor circuits.

PubMed

Gu, Ming; Chakrabartty, Shantanu

2013-08-01

This paper presents a computer aided design (CAD) framework for verification and reliability analysis of protein-silicon hybrid circuits used in biosensors. It is envisioned that similar to integrated circuit (IC) CAD design tools, the proposed framework will be useful for system level optimization of biosensors and for discovery of new sensing modalities without resorting to laborious fabrication and experimental procedures. The framework referred to as FAST analyzes protein-based circuits by solving inverse problems involving stochastic functional elements that admit non-linear relationships between different circuit variables. In this regard, FAST uses a factor-graph netlist as a user interface and solving the inverse problem entails passing messages/signals between the internal nodes of the netlist. Stochastic analysis techniques like density evolution are used to understand the dynamics of the circuit and estimate the reliability of the solution. As an example, we present a complete design flow using FAST for synthesis, analysis and verification of our previously reported conductometric immunoassay that uses antibody-based circuits to implement forward error-correction (FEC).

An efficient protocol for the synthesis of highly sensitive indole imines utilizing green chemistry: optimization of reaction conditions.

PubMed

Nisar, Bushra; Rubab, Syeda Laila; Raza, Abdul Rauf; Tariq, Sobia; Sultan, Ayesha; Tahir, Muhammad Nawaz

2018-04-11

Novel and highly sensitive indole-based imines have been synthesized. Their synthesis has been compared employing a variety of protocols. Ultimately, a convenient, economical and high yielding set of conditions employing green chemistry have been designed for their synthesis.

Development of New Laser Protective Dyes

DTIC Science & Technology

1993-07-31

Science’s Phase I research, the feasibility of thermally stabilizing cyanine and squarylium dyes for simulated polycarbonate injection-molding... SQUARYLIUM & CROCONIUM FIUORENE DYE SYNTHESIS SYNTHESIS OF NEW DYES DYE SYNTHESES IENGFICA TION ASYNTHESIS OF SUSSTITUTED DYES EVELOP OH TECHNOLOGIES...region, three dyes were successfully extruded into PETG and/or PC: (a.) the croconium dye SS-1044 (,%max = 834 um in PETG). (b.) the squarylium dye

Modeling human response errors in synthetic flight simulator domain

NASA Technical Reports Server (NTRS)

Ntuen, Celestine A.

1992-01-01

This paper presents a control theoretic approach to modeling human response errors (HRE) in the flight simulation domain. The human pilot is modeled as a supervisor of a highly automated system. The synthesis uses the theory of optimal control pilot modeling for integrating the pilot's observation error and the error due to the simulation model (experimental error). Methods for solving the HRE problem are suggested. Experimental verification of the models will be tested in a flight quality handling simulation.

Self-assembly of Archimedean tilings with enthalpically and entropically patchy polygons.

PubMed

Millan, Jaime A; Ortiz, Daniel; van Anders, Greg; Glotzer, Sharon C

2014-03-25

Considerable progress in the synthesis of anisotropic patchy nanoplates (nanoplatelets) promises a rich variety of highly ordered two-dimensional superlattices. Recent experiments of superlattices assembled from nanoplates confirm the accessibility of exotic phases and motivate the need for a better understanding of the underlying self-assembly mechanisms. Here, we present experimentally accessible, rational design rules for the self-assembly of the Archimedean tilings from polygonal nanoplates. The Archimedean tilings represent a model set of target patterns that (i) contain both simple and complex patterns, (ii) are comprised of simple regular shapes, and (iii) contain patterns with potentially interesting materials properties. Via Monte Carlo simulations, we propose a set of design rules with general applicability to one- and two-component systems of polygons. These design rules, specified by increasing levels of patchiness, correspond to a reduced set of anisotropy dimensions for robust self-assembly of the Archimedean tilings. We show for which tilings entropic patches alone are sufficient for assembly and when short-range enthalpic interactions are required. For the latter, we show how patchy these interactions should be for optimal yield. This study provides a minimal set of guidelines for the design of anisostropic patchy particles that can self-assemble all 11 Archimedean tilings.

Design of Nanomaterial Synthesis by Aerosol Processes

PubMed Central

Buesser, Beat; Pratsinis, Sotiris E.

2013-01-01

Aerosol synthesis of materials is a vibrant field of particle technology and chemical reaction engineering. Examples include the manufacture of carbon blacks, fumed SiO2, pigmentary TiO2, ZnO vulcanizing catalysts, filamentary Ni, and optical fibers, materials that impact transportation, construction, pharmaceuticals, energy, and communications. Parallel to this, development of novel, scalable aerosol processes has enabled synthesis of new functional nanomaterials (e.g., catalysts, biomaterials, electroceramics) and devices (e.g., gas sensors). This review provides an access point for engineers to the multiscale design of aerosol reactors for the synthesis of nanomaterials using continuum, mesoscale, molecular dynamics, and quantum mechanics models spanning 10 and 15 orders of magnitude in length and time, respectively. Key design features are the rapid chemistry; the high particle concentrations but low volume fractions; the attainment of a self-preserving particle size distribution by coagulation; the ratio of the characteristic times of coagulation and sintering, which controls the extent of particle aggregation; and the narrowing of the aggregate primary particle size distribution by sintering. PMID:22468598

Design of nanomaterial synthesis by aerosol processes.

PubMed

Buesser, Beat; Pratsinis, Sotiris E

2012-01-01

Aerosol synthesis of materials is a vibrant field of particle technology and chemical reaction engineering. Examples include the manufacture of carbon blacks, fumed SiO(2), pigmentary TiO(2), ZnO vulcanizing catalysts, filamentary Ni, and optical fibers, materials that impact transportation, construction, pharmaceuticals, energy, and communications. Parallel to this, development of novel, scalable aerosol processes has enabled synthesis of new functional nanomaterials (e.g., catalysts, biomaterials, electroceramics) and devices (e.g., gas sensors). This review provides an access point for engineers to the multiscale design of aerosol reactors for the synthesis of nanomaterials using continuum, mesoscale, molecular dynamics, and quantum mechanics models spanning 10 and 15 orders of magnitude in length and time, respectively. Key design features are the rapid chemistry; the high particle concentrations but low volume fractions; the attainment of a self-preserving particle size distribution by coagulation; the ratio of the characteristic times of coagulation and sintering, which controls the extent of particle aggregation; and the narrowing of the aggregate primary particle size distribution by sintering.

Dimensional synthesis of a leg mechanism

NASA Astrophysics Data System (ADS)

Pop, F.; Lovasz, E.-Ch; Pop, C.; Dolga, V.

2016-08-01

An eight bar leg mechanism dimensional synthesis is presented. The mathematical model regarding the synthesis is described and the results obtained after computation are verified with help of 2D mechanism simulation in Matlab. This mechanism, inspired from proposed solution of Theo Jansen, is integrated into the structure of a 2 DOF quadruped robot. With help of the kinematic synthesis method described, it is tried to determine new dimensions for the mechanism, based on a set of initial conditions. These are established by taking into account the movement of the end point of the leg mechanism, which enters in contact with the ground, during walking. An optimization process based on the results obtained can be conducted further in order to find a better solution for the leg mechanism.

Instrument Synthesis and Analysis Laboratory

NASA Technical Reports Server (NTRS)

Wood, H. John

2004-01-01

The topics addressed in this viewgraph presentation include information on 1) Historic instruments at Goddard; 2) Integrated Design Capability at Goddard; 3) The Instrument Synthesis and Analysis Laboratory (ISAL).

Realistic generation of natural phenomena based on video synthesis

NASA Astrophysics Data System (ADS)

Wang, Changbo; Quan, Hongyan; Li, Chenhui; Xiao, Zhao; Chen, Xiao; Li, Peng; Shen, Liuwei

2009-10-01

Research on the generation of natural phenomena has many applications in special effects of movie, battlefield simulation and virtual reality, etc. Based on video synthesis technique, a new approach is proposed for the synthesis of natural phenomena, including flowing water and fire flame. From the fire and flow video, the seamless video of arbitrary length is generated. Then, the interaction between wind and fire flame is achieved through the skeleton of flame. Later, the flow is also synthesized by extending the video textures using an edge resample method. Finally, we can integrate the synthesized natural phenomena into a virtual scene.

Liposome-chaperoned cell-free synthesis for the design of proteoliposomes: Implications for therapeutic delivery.

PubMed

Lu, Mei; Zhao, Xiaoyun; Xing, Haonan; Xun, Zhe; Yang, Tianzhi; Cai, Cuifang; Wang, Dongkai; Ding, Pingtian

2018-04-03

Cell-free (CF) protein synthesis has emerged as a powerful technique platform for efficient protein production in vitro. Liposomes have been widely studied as therapeutic carriers due to their biocompatibility, biodegradability, low toxicity, flexible surface manipulation, easy preparation, and higher cargo encapsulation capability. However, rapid immune clearance, insufficient targeting capacity, and poor cytoplasmic delivery efficiency substantially restrict their clinical application. The incorporation of functional membrane proteins (MPs) or peptides allows the transfer of biological properties to liposomes and imparts them with improved circulation, increased targeting, and efficient intracellular delivery. Liposome-chaperoned CF synthesis enables production of proteoliposomes in one-step reaction, which not only substantially simplifies the production procedure but also keeps protein functionality intact. Building off these observations, proteoliposomes with integrated MPs represent an excellent candidate for therapeutic delivery. In this review, we describe recent advances in CF synthesis with emphasis on detailing key factors for improving CF expression efficiency. Furthermore, we provide insights into strategies for rational design of proteoliposomal nanodelivery systems via CF synthesis. Liposome-chaperoned CF synthesis has emerged as a powerful approach for the design of recombinant proteoliposomes in one-step reaction. The incorporation of bioactive MPs or peptides into liposomes via CF synthesis can facilitate the development of proteoliposomal nanodelivery systems with improved circulation, increased targeting, and enhanced cellular delivery capacity. Moreover, by adapting lessons learned from natural delivery vehicles, novel bio-inspired proteoliposomes with enhanced delivery properties could be produced in CF systems. In this review, we first give an overview of CF synthesis with focus on enhancing protein expression in liposome-chaperoned CF systems. Furthermore, we intend to provide insight into harnessing CF-synthesized proteoliposomes for efficient therapeutic delivery. Copyright © 2018. Published by Elsevier Ltd.

Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis.

PubMed

Wang, Qiantao; Edupuganti, Ramakrishna; Tavares, Clint D J; Dalby, Kevin N; Ren, Pengyu

2015-01-01

A-484954 is a known eEF2K inhibitor with submicromolar IC50 potency. However, the binding mechanism and the crystal structure of the kinase remains unknown. Here, we employ a homology eEF2K model, docking and alchemical free energy simulations to probe the binding mechanism of eEF2K, and in turn, guide the optimization of potential lead compounds. The inhibitor was docked into the ATP-binding site of a homology model first. Three different binding poses, hypothesis 1, 2, and 3, were obtained and subsequently applied to molecular dynamics (MD) based alchemical free energy simulations. The calculated relative binding free energy of the analogs of A-484954 using the binding pose of hypothesis 1 show a good correlation with the experimental IC50 values, yielding an r (2) coefficient of 0.96 after removing an outlier (compound 5). Calculations using another two poses show little correlation with experimental data, (r (2) of less than 0.5 with or without removing any outliers). Based on hypothesis 1, the calculated relative free energy suggests that bigger cyclic groups, at R1 e.g., cyclobutyl and cyclopentyl promote more favorable binding than smaller groups, such as cyclopropyl and hydrogen. Moreover, this study also demonstrates the ability of the alchemical free energy approach in combination with docking and homology modeling to prioritize compound synthesis. This can be an effective means of facilitating structure-based drug design when crystal structures are not available.

Integration of PKPD relationships into benefit–risk analysis

PubMed Central

Bellanti, Francesco; van Wijk, Rob C; Danhof, Meindert; Della Pasqua, Oscar

2015-01-01

Aim Despite the continuous endeavour to achieve high standards in medical care through effectiveness measures, a quantitative framework for the assessment of the benefit–risk balance of new medicines is lacking prior to regulatory approval. The aim of this short review is to summarise the approaches currently available for benefit–risk assessment. In addition, we propose the use of pharmacokinetic–pharmacodynamic (PKPD) modelling as the pharmacological basis for evidence synthesis and evaluation of novel therapeutic agents. Methods A comprehensive literature search has been performed using MESH terms in PubMed, in which articles describing benefit–risk assessment and modelling and simulation were identified. In parallel, a critical review of multi-criteria decision analysis (MCDA) is presented as a tool for characterising a drug's safety and efficacy profile. Results A definition of benefits and risks has been proposed by the European Medicines Agency (EMA), in which qualitative and quantitative elements are included. However, in spite of the value of MCDA as a quantitative method, decisions about benefit–risk balance continue to rely on subjective expert opinion. By contrast, a model-informed approach offers the opportunity for a more comprehensive evaluation of benefit–risk balance before extensive evidence is generated in clinical practice. Conclusions Benefit–risk balance should be an integral part of the risk management plan and as such considered before marketing authorisation. Modelling and simulation can be incorporated into MCDA to support the evidence synthesis as well evidence generation taking into account the underlying correlations between favourable and unfavourable effects. In addition, it represents a valuable tool for the optimization of protocol design in effectiveness trials. PMID:25940398

Integration of PKPD relationships into benefit-risk analysis.

PubMed

Bellanti, Francesco; van Wijk, Rob C; Danhof, Meindert; Della Pasqua, Oscar

2015-11-01

Despite the continuous endeavour to achieve high standards in medical care through effectiveness measures, a quantitative framework for the assessment of the benefit-risk balance of new medicines is lacking prior to regulatory approval. The aim of this short review is to summarise the approaches currently available for benefit-risk assessment. In addition, we propose the use of pharmacokinetic-pharmacodynamic (PKPD) modelling as the pharmacological basis for evidence synthesis and evaluation of novel therapeutic agents. A comprehensive literature search has been performed using MESH terms in PubMed, in which articles describing benefit-risk assessment and modelling and simulation were identified. In parallel, a critical review of multi-criteria decision analysis (MCDA) is presented as a tool for characterising a drug's safety and efficacy profile. A definition of benefits and risks has been proposed by the European Medicines Agency (EMA), in which qualitative and quantitative elements are included. However, in spite of the value of MCDA as a quantitative method, decisions about benefit-risk balance continue to rely on subjective expert opinion. By contrast, a model-informed approach offers the opportunity for a more comprehensive evaluation of benefit-risk balance before extensive evidence is generated in clinical practice. Benefit-risk balance should be an integral part of the risk management plan and as such considered before marketing authorisation. Modelling and simulation can be incorporated into MCDA to support the evidence synthesis as well evidence generation taking into account the underlying correlations between favourable and unfavourable effects. In addition, it represents a valuable tool for the optimization of protocol design in effectiveness trials. © 2015 The British Pharmacological Society.

The solar UV exposure time required for vitamin D3 synthesis in the human body estimated by numerical simulation and observation in Japan

NASA Astrophysics Data System (ADS)

Nakajima, Hideaki; Miyauchi, Masaatsu; Hirai, Chizuko

2013-04-01

After the discovery of Antarctic ozone hole, the negative effect of exposure of human body to harmful solar ultraviolet (UV) radiation is widely known. However, there is positive effect of exposure to UV radiation, i.e., vitamin D synthesis. Although the importance of solar UV radiation for vitamin D3 synthesis in the human body is well known, the solar exposure time required to prevent vitamin D deficiency has not been well determined. This study attempted to identify the time of solar exposure required for vitamin D3 synthesis in the body by season, time of day, and geographic location (Sapporo, Tsukuba, and Naha, in Japan) using both numerical simulations and observations. According to the numerical simulation for Tsukuba at noon in July under a cloudless sky, 2.3 min of solar exposure are required to produce 5.5 μg vitamin D3 per 600 cm2 skin. This quantity of vitamin D represents the recommended intake for an adult by the Ministry of Health, Labour and Welfare, and the 2010 Japanese Dietary Reference Intakes (DRIs). In contrast, it took 49.5 min to produce the same amount of vitamin D3 at Sapporo in the northern part of Japan in December, at noon under a cloudless sky. The necessary exposure time varied considerably with the time of the day. For Tsukuba at noon in December, 14.5 min were required, but at 09:00 68.7 min were required and at 15:00 175.8 min were required for the same meteorological conditions. Naha receives high levels of UV radiation allowing vitamin D3 synthesis almost throughout the year. According to our results, we are further developing an index to quantify the necessary time of UV radiation exposure to produce required amount of vitamin D3 from a UV radiation data.

Design, in silico studies, synthesis and in vitro evaluation of oseltamivir derivatives as inhibitors of neuraminidase from influenza A virus H1N1.

PubMed

Neri-Bazán, Rocío M; García-Machorro, Jazmín; Méndez-Luna, David; Tolentino-López, Luis E; Martínez-Ramos, Federico; Padilla-Martínez, Itzia I; Aguilar-Faisal, Leopoldo; Soriano-Ursúa, Marvin A; Trujillo-Ferrara, José G; Fragoso-Vázquez, M Jonathan; Barrón, Blanca L; Correa-Basurto, José

2017-03-10

Since the neuraminidase (NA) enzyme of the influenza A virus plays a key role in the process of release of new viral particles from a host cell, it is often a target for new drug design. The emergence of NA mutations, such as H275Y, has led to great resistance against neuraminidase inhibitors, including oseltamivir and zanamivir. Hence, we herein designed a set of derivatives by modifying the amine and/or carboxylic groups of oseltamivir. After being screened for their physicochemical (Lipinski's rule) and toxicological properties, the remaining compounds were submitted to molecular and theoretical studies. The docking simulations provided insights into NA recognition patterns, demonstrating that oseltamivir modified at the carboxylic moiety and coupled with anilines had higher affinity and a better binding pose for NA than the derivatives modified at the amine group. Based on these theoretical studies, the new oseltamivir derivatives may have higher affinity to mutant variants and possibly to other viral subtypes. Accordingly, two compounds were selected for synthesis, which together with their respective intermediates were evaluated for their cytotoxicity and antiviral activities. Their biological activity was then tested in cells infected with the A/Puerto Rico/916/34 (H1N1) influenza virus, and virus yield reduction assays were performed. Additionally, by measuring neuraminidase activity with the neuraminidase assay kit it was found that the compounds produced inhibitory activity on this enzyme. Finally, the infected cells were analysed with atomic force microscopy (AFM), observing morphological changes strongly suggesting that these compounds interfered with cellular release of viral particles. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Student project of optical system analysis API-library development

NASA Astrophysics Data System (ADS)

Ivanova, Tatiana; Zhukova, Tatiana; Dantcaranov, Ruslan; Romanova, Maria; Zhadin, Alexander; Ivanov, Vyacheslav; Kalinkina, Olga

2017-08-01

In the paper API-library software developed by students of Applied and Computer Optics Department (ITMO University) for optical system design is presented. The library performs paraxial and real ray tracing, calculates 3d order (Seidel) aberration and real ray aberration of axis and non-axis beams (wave, lateral, longitudinal, coma, distortion etc.) and finally, approximate wave aberration by Zernike polynomials. Real aperture can be calculated by considering of real rays tracing failure on each surface. So far we assume optical system is centered, with spherical or 2d order aspherical surfaces. Optical glasses can be set directly by refraction index or by dispersion coefficients. The library can be used for education or research purposes in optical system design area. It provides ready to use software functions for optical system simulation and analysis that developer can simply plug into their software development for different purposes, for example for some specific synthesis tasks or investigation of new optimization modes. In the paper we present an example of using the library for development of cemented doublet synthesis software based on Slusarev's methodology. The library is used in optical system optimization recipes course for deep studying of optimization model and its application for optical system design. Development of such software is an excellent experience for students and help to understanding optical image modeling and quality analysis. This development is organized as student group joint project. We try to organize it as a group in real research and development project, so each student has his own role in the project and then use whole library functionality in his own master or bachelor thesis. Working in such group gives students useful experience and opportunity to work as research and development engineer of scientific software in the future.

Robust Frequency-Domain Constrained Feedback Design via a Two-Stage Heuristic Approach.

PubMed

Li, Xianwei; Gao, Huijun

2015-10-01

Based on a two-stage heuristic method, this paper is concerned with the design of robust feedback controllers with restricted frequency-domain specifications (RFDSs) for uncertain linear discrete-time systems. Polytopic uncertainties are assumed to enter all the system matrices, while RFDSs are motivated by the fact that practical design specifications are often described in restricted finite frequency ranges. Dilated multipliers are first introduced to relax the generalized Kalman-Yakubovich-Popov lemma for output feedback controller synthesis and robust performance analysis. Then a two-stage approach to output feedback controller synthesis is proposed: at the first stage, a robust full-information (FI) controller is designed, which is used to construct a required output feedback controller at the second stage. To improve the solvability of the synthesis method, heuristic iterative algorithms are further formulated for exploring the feedback gain and optimizing the initial FI controller at the individual stage. The effectiveness of the proposed design method is finally demonstrated by the application to active control of suspension systems.

Robust control synthesis for uncertain dynamical systems

NASA Technical Reports Server (NTRS)

Byun, Kuk-Whan; Wie, Bong; Sunkel, John

1989-01-01

This paper presents robust control synthesis techniques for uncertain dynamical systems subject to structured parameter perturbation. Both QFT (quantitative feedback theory) and H-infinity control synthesis techniques are investigated. Although most H-infinity-related control techniques are not concerned with the structured parameter perturbation, a new way of incorporating the parameter uncertainty in the robust H-infinity control design is presented. A generic model of uncertain dynamical systems is used to illustrate the design methodologies investigated in this paper. It is shown that, for a certain noncolocated structural control problem, use of both techniques results in nonminimum phase compensation.

Systematic process synthesis and design methods for cost effective waste minimization

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

Biegler, L.T.; Grossman, I.E.; Westerberg, A.W.

We present progress on our work to develop synthesis methods to aid in the design of cost effective approaches to waste minimization. Work continues to combine the approaches of Douglas and coworkers and of Grossmann and coworkers on a hierarchical approach where bounding information allows it to fit within a mixed integer programming approach. We continue work on the synthesis of reactors and of flexible separation processes. In the first instance, we strive for methods we can use to reduce the production of potential pollutants, while in the second we look for ways to recover and recycle solvents.

Computer Simulation of a Multiaxis Air-to-Air Tracking Task Using the Optimal Pilot Control Model.

DTIC Science & Technology

1982-12-01

v ABSTRACT ........ ............................. .. vi CHAPTER 1 - INTRODUCTION ....... ..................... 1 1.1 Motivation... Introduction ......... . 4 2.2 Optimal Pilot Control Model and Control Synthesis 4 2.3 Pitch Tracking Task ...... ................... 6 2.4 Multiaxis...CHAPTER 3 - SIMULATION SYSTEM ...... .................. 33 3.1 Introduction ........ ....................... 33 3.2 System Hardware

Primordial synthesis of amines and amino acids in a 1958 Miller H2S-rich spark discharge experiment

PubMed Central

Parker, Eric T.; Cleaves, Henderson J.; Dworkin, Jason P.; Glavin, Daniel P.; Callahan, Michael; Aubrey, Andrew; Lazcano, Antonio; Bada, Jeffrey L.

2011-01-01

Archived samples from a previously unreported 1958 Stanley Miller electric discharge experiment containing hydrogen sulfide (H2S) were recently discovered and analyzed using high-performance liquid chromatography and time-of-flight mass spectrometry. We report here the detection and quantification of primary amine-containing compounds in the original sample residues, which were produced via spark discharge using a gaseous mixture of H2S, CH4, NH3, and CO2. A total of 23 amino acids and 4 amines, including 7 organosulfur compounds, were detected in these samples. The major amino acids with chiral centers are racemic within the accuracy of the measurements, indicating that they are not contaminants introduced during sample storage. This experiment marks the first synthesis of sulfur amino acids from spark discharge experiments designed to imitate primordial environments. The relative yield of some amino acids, in particular the isomers of aminobutyric acid, are the highest ever found in a spark discharge experiment. The simulated primordial conditions used by Miller may serve as a model for early volcanic plume chemistry and provide insight to the possible roles such plumes may have played in abiotic organic synthesis. Additionally, the overall abundances of the synthesized amino acids in the presence of H2S are very similar to the abundances found in some carbonaceous meteorites, suggesting that H2S may have played an important role in prebiotic reactions in early solar system environments. PMID:21422282

Primordial Synthesis of Amines and Amino Acids in a 1958 Miller H2S-Rich Spark Discharge Experiment

NASA Technical Reports Server (NTRS)

Parker, Eric T.; Cleaves, Henderson J.; Dworkin, Jason P.; Glavin, Daniel P.; Callahan, Michael; Aubrey, Andrew; Lazcano, Antonio; Bada, Jeffrey L.

2011-01-01

Archived samples from a previously unreported 1958 Stanley Miller electric discharge experiment containing hydrogen sulfide (H2S) were recently discovered and analyzed using high-performance liquid chromatography and time-of-flight mass spectrometry. We report here the detection and quantification of primary amine-containing compounds in the original sample residues, which were produced via spark discharge using a gaseous mixture of H2S, CH4, NH3, and CO2. A total of 23 amino acids and 4 amines, including 7 organosulfur compounds, were detected in these samples. The major amino acids with chiral centers are racemic within the accuracy of the measurements, indicating that they are not contaminants introduced during sample storage. This experiment marks the first synthesis of sulfur amino acids from spark discharge experiments designed to imitate primordia! environments. The relative yield of some amino acids, in particular the isomers of aminobutyric acid, are the highest ever found in a spark discharge experiment. The simulated primordial conditions used by Miller may serve as a model for early volcanic plume chemistry and provide insight to the possible roles such plumes may have played in abiotic organic synthesis. Additionally, the overall abundances of the synthesized amino acids in the presence of H2S are very similar to the abundances found in some carbonaceous meteorites, suggesting that H2S may have played an important role in prebiotic reactions in early solar system environments.

An Algorithm for Integrated Subsystem Embodiment and System Synthesis

NASA Technical Reports Server (NTRS)

Lewis, Kemper

1997-01-01

Consider the statement,'A system has two coupled subsystems, one of which dominates the design process. Each subsystem consists of discrete and continuous variables, and is solved using sequential analysis and solution.' To address this type of statement in the design of complex systems, three steps are required, namely, the embodiment of the statement in terms of entities on a computer, the mathematical formulation of subsystem models, and the resulting solution and system synthesis. In complex system decomposition, the subsystems are not isolated, self-supporting entities. Information such as constraints, goals, and design variables may be shared between entities. But many times in engineering problems, full communication and cooperation does not exist, information is incomplete, or one subsystem may dominate the design. Additionally, these engineering problems give rise to mathematical models involving nonlinear functions of both discrete and continuous design variables. In this dissertation an algorithm is developed to handle these types of scenarios for the domain-independent integration of subsystem embodiment, coordination, and system synthesis using constructs from Decision-Based Design, Game Theory, and Multidisciplinary Design Optimization. Implementation of the concept in this dissertation involves testing of the hypotheses using example problems and a motivating case study involving the design of a subsonic passenger aircraft.

DARPA TRADES Annual Report.

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

Aguilo Valentin, Miguel Alejandro; Trujillo, Susie

During calendar year 2017, Sandia National Laboratories (SNL) made strides towards developing an open portable design platform rich in highperformance computing (HPC) enabled modeling, analysis and synthesis tools. The main focus was to lay the foundations of the core interfaces that will enable plug-n-play insertion of synthesis optimization technologies in the areas of modeling, analysis and synthesis.

Multistep Synthesis of a Terphenyl Derivative Showcasing the Diels-Alder Reaction

ERIC Educational Resources Information Center

Davie, Elizabeth A. Colby

2015-01-01

An adaptable multistep synthesis project designed for the culmination of a second-year organic chemistry laboratory course is described. The target compound is a terphenyl derivative that is an intermediate in the synthesis of compounds used in organic light-emitting devices. Students react a conjugated diene with dimethylacetylene dicarboxylate…

Simplified Application of Material Efficiency Green Metrics to Synthesis Plans: Pedagogical Case Studies Selected from "Organic Syntheses"

ERIC Educational Resources Information Center

Andraos, John

2015-01-01

This paper presents a simplified approach for the application of material efficiency metrics to linear and convergent synthesis plans encountered in organic synthesis courses. Computations are facilitated and automated using intuitively designed Microsoft Excel spreadsheets without invoking abstract mathematical formulas. The merits of this…

What Works with Worked Examples: Extending Self-Explanation and Analogical Comparison to Synthesis Problems

ERIC Educational Resources Information Center

Badeau, Ryan; White, Daniel R.; Ibrahim, Bashirah; Ding, Lin; Heckler, Andrew F.

2017-01-01

The ability to solve physics problems that require multiple concepts from across the physics curriculum--"synthesis" problems--is often a goal of physics instruction. Three experiments were designed to evaluate the effectiveness of two instructional methods employing worked examples on student performance with synthesis problems; these…

Interdisciplinary Learning for Chemical Engineering Students from Organic Chemistry Synthesis Lab to Reactor Design to Separation

ERIC Educational Resources Information Center

Armstrong, Matt; Comitz, Richard L.; Biaglow, Andrew; Lachance, Russ; Sloop, Joseph

2008-01-01

A novel approach to the Chemical Engineering curriculum sequence of courses at West Point enabled our students to experience a much more realistic design process, which more closely replicated a real world scenario. Students conduct the synthesis in the organic chemistry lab, then conduct computer modeling of the reaction with ChemCad and…

Expert System for Automated Design Synthesis

NASA Technical Reports Server (NTRS)

Rogers, James L., Jr.; Barthelemy, Jean-Francois M.

1987-01-01

Expert-system computer program EXADS developed to aid users of Automated Design Synthesis (ADS) general-purpose optimization program. EXADS aids engineer in determining best combination based on knowledge of specific problem and expert knowledge stored in knowledge base. Available in two interactive machine versions. IBM PC version (LAR-13687) written in IQ-LISP. DEC VAX version (LAR-13688) written in Franz-LISP.

Berkeley Lab - Materials Sciences Division

Science.gov Websites

Synthesis Condensed Matter and Materials Physics Scattering and Instrumentation Science Centers Center for ; Finance Templates Travel One-Stop Core Programs Materials Discovery, Design and Synthesis Condensed Matter

Smart Material Demonstrators Based on Shape Memory Alloys and Electroceramics

NASA Technical Reports Server (NTRS)

Cooke, Arther V.

1996-01-01

This paper describes the development and characterization of two technology demonstrators that were produced under the auspices of an ARPA sponsored smart materials synthesis and processing effort. The ARPA Smart Materials and Synthesis (SMS) Program was a 2 year, $10M partnership led by Martin Marietta Laboratories - Baltimore and included Lockheed Missiles & Space Co., NRL, AVX Corp., Martin Marietta Astronautics Groups, BDM Federal, Inc., Virginia Tech, Clemson, University of Maryland, Denver University, and The Johns Hopkins University. In order to demonstrate the usefulness of magnetron sputtered shape memory foil and the manufacturability of reliable, reproducible electrostrictive actuators, the team designed a broadband active vibration cancellation device for suppressing the vibration load on delicate instruments and precision pointing devices mounted on orbiting satellites and spacecraft. The results of extensive device characterization and bench testing are discussed. Initial simulation results show excellent control authority and amplitude attenuation over the range of anticipated disturbance frequencies. The SMS Team has also developed an active 1-3 composite comprising micro-electrostrictive actuators embedded in a polymeric matrix suitable for underwater applications such as sonar quieting and listening arrays, and for medical imaging. Follow-on programs employing these technologies are also described.

The activation of fibroblast growth factors by heparin: synthesis, structure, and biological activity of heparin-like oligosaccharides.

PubMed

de Paz, J L; Angulo, J; Lassaletta, J M; Nieto, P M; Redondo-Horcajo, M; Lozano, R M; Giménez-Gallego, G; Martín-Lomas, M

2001-09-03

An effective strategy has been designed for the synthesis of oligosaccharides of different sizes structurally related to the regular region of heparin; this is illustrated by the preparation of hexasaccharide 1 and octasaccharide 2. This synthetic strategy provides the oligosaccharide sequence containing a D-glucosamine unit at the nonreducing end that is not available either by enzymatic or chemical degradation of heparin. It may permit, after slight modifications, the preparation of oligosaccharide fragments with different charge distribution as well. NMR spectroscopy and molecular dynamics simulations have shown that the overall structure of 1 in solution is a stable right-hand helix with four residues per turn. Hexasaccharide 1 and, most likely, octasaccharide 2 are, therefore, chemically well-defined structural models of naturally occurring heparin-like oligosaccharides for use in binding and biological activity studies. Both compounds 1 and 2 induce the mitogenic activity of acid fibroblast growth factor (FGF1), with the half-maximum activating concentration of 2 being equivalent to that of heparin. Sedimentation equilibrium analysis with compound 2 suggests that heparin-induced FGF1 dimerization is not an absolute requirement for biological activity.

Synthesis and property of solvatochromic fluorophore based on D-pi-A molecular system: 2-[[3-cyano-4-(N-ethyl-N-(2-hydroxyethyl)amino)styryl]-5,5-dimethylfuran-2(5H)-ylidene]malononitrile dye.

PubMed

Son, Young-A; Gwon, Seon-Yeong; Lee, Sue-Yoen; Kim, Sung-Hoon

2010-01-01

2-[[3-Cyano-4-(N-ethyl-N-(2-hydroxyethyl)amino)styryl]-5,5-dimethylfuran-2(5H)-ylidene]malononitrile styryl dye was prepared by the condensation of 4-[(2-hydroxy-ethyl)-methyl-amino]-benzaldehyde (donor moiety) with 2-cyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran (acceptor moiety). The corresponding design, synthesis and solvatochromic characteristics of the intramolecular charge-transfer (ICT) dye chromophore were discussed and determined. Optical properties such as absorption and fluorescence emission spectra were monitored in several solvent media with different polarity. In this determination, the prepared dye chromophore showed positive solvatochromism effect and the resulting solvatochromic characteristics were studied with semiempirical calculations. The energy potentials of this dye chromophore such as HOMO and LUMO values were calculated by computational simulation approaches using Material Studio 4.3. Furthermore, the functions as a molecular switching sensor with pH stimulation of alkali-acid addition were determined in DMSO, which was operated by deprotonation/protonation effects based on intramolecular charge-transfer system. Copyright 2009 Elsevier B.V. All rights reserved.

LDPC decoder with a limited-precision FPGA-based floating-point multiplication coprocessor

NASA Astrophysics Data System (ADS)

Moberly, Raymond; O'Sullivan, Michael; Waheed, Khurram

2007-09-01

Implementing the sum-product algorithm, in an FPGA with an embedded processor, invites us to consider a tradeoff between computational precision and computational speed. The algorithm, known outside of the signal processing community as Pearl's belief propagation, is used for iterative soft-decision decoding of LDPC codes. We determined the feasibility of a coprocessor that will perform product computations. Our FPGA-based coprocessor (design) performs computer algebra with significantly less precision than the standard (e.g. integer, floating-point) operations of general purpose processors. Using synthesis, targeting a 3,168 LUT Xilinx FPGA, we show that key components of a decoder are feasible and that the full single-precision decoder could be constructed using a larger part. Soft-decision decoding by the iterative belief propagation algorithm is impacted both positively and negatively by a reduction in the precision of the computation. Reducing precision reduces the coding gain, but the limited-precision computation can operate faster. A proposed solution offers custom logic to perform computations with less precision, yet uses the floating-point format to interface with the software. Simulation results show the achievable coding gain. Synthesis results help theorize the the full capacity and performance of an FPGA-based coprocessor.

Modeling chemical vapor deposition of silicon dioxide in microreactors at atmospheric pressure

NASA Astrophysics Data System (ADS)

Konakov, S. A.; Krzhizhanovskaya, V. V.

2015-01-01

We developed a multiphysics mathematical model for simulation of silicon dioxide Chemical Vapor Deposition (CVD) from tetraethyl orthosilicate (TEOS) and oxygen mixture in a microreactor at atmospheric pressure. Microfluidics is a promising technology with numerous applications in chemical synthesis due to its high heat and mass transfer efficiency and well-controlled flow parameters. Experimental studies of CVD microreactor technology are slow and expensive. Analytical solution of the governing equations is impossible due to the complexity of intertwined non-linear physical and chemical processes. Computer simulation is the most effective tool for design and optimization of microreactors. Our computational fluid dynamics model employs mass, momentum and energy balance equations for a laminar transient flow of a chemically reacting gas mixture at low Reynolds number. Simulation results show the influence of microreactor configuration and process parameters on SiO2 deposition rate and uniformity. We simulated three microreactors with the central channel diameter of 5, 10, 20 micrometers, varying gas flow rate in the range of 5-100 microliters per hour and temperature in the range of 300-800 °C. For each microchannel diameter we found an optimal set of process parameters providing the best quality of deposited material. The model will be used for optimization of the microreactor configuration and technological parameters to facilitate the experimental stage of this research.

Performance improvement of miniaturized ZnO nanowire accelerometer fabricated by refresh hydrothermal synthesis

PubMed Central

Song, Sangho; Kim, Hyun Chan; Kim, Jung Woong; Kim, Debora

2017-01-01

Miniaturized accelerometers are necessary for evaluating the performance of small devices, such as haptics, robotics and simulators. In this study, we fabricated miniaturized accelerometers using well-aligned ZnO nanowires. The layer of ZnO nanowires is used for active piezoelectric layer of the accelerometer, and copper was chosen as a head mass. Seedless and refresh hydrothermal synthesis methods were conducted to grow ZnO nanowires on the copper substrate and the effect of ZnO nanowire length on the accelerometer performance was investigated. The refresh hydrothermal synthesis exhibits longer ZnO nanowires, 12 µm, than the seedless hydrothermal synthesis, 6 µm. Performance of the fabricated accelerometers was verified by comparing with a commercial accelerometer. The sensitivity of the fabricated accelerometer by the refresh hydrothermal synthesis is shown to be 37.7 pA g−1, which is about 30 times larger than the previous result. PMID:28989760

Correlation Filter Synthesis Using Neural Networks.

DTIC Science & Technology

1993-12-01

trained neural networks may be understood as "smart" data interpolators, the stored filter and the filter synthesis approaches have much in common: in...the former new filters are found by searching a data bank consisting of the filters themselves; in the latter filters are formed from a distributed... data bank that contains neural network interaction strengths or weights. 1.2 Key Results and Outputs Excellent computer simulation results were

Indirect synthesis of multi-degree of freedom transient systems. [linear programming for a kinematically linear system

NASA Technical Reports Server (NTRS)

Pilkey, W. D.; Chen, Y. H.

1974-01-01

An indirect synthesis method is used in the efficient optimal design of multi-degree of freedom, multi-design element, nonlinear, transient systems. A limiting performance analysis which requires linear programming for a kinematically linear system is presented. The system is selected using system identification methods such that the designed system responds as closely as possible to the limiting performance. The efficiency is a result of the method avoiding the repetitive systems analyses accompanying other numerical optimization methods.

Synthesis of stiffened shells of revolution

NASA Technical Reports Server (NTRS)

Thornton, W. A.

1974-01-01

Computer programs for the synthesis of shells of various configurations were developed. The conditions considered are: (1) uniform shells (mainly cones) using a membrane buckling analysis, (2) completely uniform shells (cones, spheres, toroidal segments) using linear bending prebuckling analysis, and (3) revision of second design process to reduce the number of design variables to about 30 by considering piecewise uniform designs. A perturbation formula was derived and this allows exact derivatives of the general buckling load to be computed with little additional computer time.

Functionalization of SBA-15 mesoporous silica by Cu-phosphonate units: Probing of synthesis route

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

Laskowski, Lukasz, E-mail: lukasz.laskowski@kik.pcz.pl; Czestochowa University of Technology, Institute of Physics, Al. Armii Krajowej 19, 42-201 Czestochowa; Laskowska, Magdalena, E-mail: magdalena.laskowska@onet.pl

2014-12-15

Mesoporous silica SBA-15 containing propyl-copper phosphonate units was investigated. The structure of mesoporous samples was tested by N{sub 2} isothermal sorption (BET and BHJ analysis), TEM microscopy and X-Ray scattering. Quantitative analysis EDX has given information about proportions between component atoms in the sample. Quantitative elemental analysis has been carried out to support EDX. To examine bounding between copper atoms and phosphonic units the Raman spectroscopy was carried out. As a support of Raman scattering, the theoretical calculations were made based on density functional theory, with the B3LYP method. By comparison of the calculated vibrational spectra of the molecule withmore » experimental results, distribution of the active units inside silica matrix has been determined. - Graphical abstract: The present study is devoted to mesoporous silica SBA-15 containing propyl-copper phosphonate units. The species were investigated to confirm of synthesis procedure correctness by the micro-Raman technique combined with DFT numerical simulations. Complementary research was carried out to test the structure of mesoporous samples. - Highlights: • SBA-15 silica functionalized with propyl-copper phosphonate units was synthesized. • Synthesis efficiency probed by Raman study supported with DFT simulations. • Homogenous distribution of active units was proved. • Synthesis route enables precise control of distance between copper ions.« less

On the importance of incorporating sampling weights in ...

EPA Pesticide Factsheets

Occupancy models are used extensively to assess wildlife-habitat associations and to predict species distributions across large geographic regions. Occupancy models were developed as a tool to properly account for imperfect detection of a species. Current guidelines on survey design requirements for occupancy models focus on the number of sample units and the pattern of revisits to a sample unit within a season. We focus on the sampling design or how the sample units are selected in geographic space (e.g., stratified, simple random, unequal probability, etc). In a probability design, each sample unit has a sample weight which quantifies the number of sample units it represents in the finite (oftentimes areal) sampling frame. We demonstrate the importance of including sampling weights in occupancy model estimation when the design is not a simple random sample or equal probability design. We assume a finite areal sampling frame as proposed for a national bat monitoring program. We compare several unequal and equal probability designs and varying sampling intensity within a simulation study. We found the traditional single season occupancy model produced biased estimates of occupancy and lower confidence interval coverage rates compared to occupancy models that accounted for the sampling design. We also discuss how our findings inform the analyses proposed for the nascent North American Bat Monitoring Program and other collaborative synthesis efforts that propose h

Patient simulation: a literary synthesis of assessment tools in anesthesiology.

PubMed

Edler, Alice A; Fanning, Ruth G; Chen, Michael I; Claure, Rebecca; Almazan, Dondee; Struyk, Brain; Seiden, Samuel C

2009-12-20

High-fidelity patient simulation (HFPS) has been hypothesized as a modality for assessing competency of knowledge and skill in patient simulation, but uniform methods for HFPS performance assessment (PA) have not yet been completely achieved. Anesthesiology as a field founded the HFPS discipline and also leads in its PA. This project reviews the types, quality, and designated purpose of HFPS PA tools in anesthesiology. We used the systematic review method and systematically reviewed anesthesiology literature referenced in PubMed to assess the quality and reliability of available PA tools in HFPS. Of 412 articles identified, 50 met our inclusion criteria. Seventy seven percent of studies have been published since 2000; more recent studies demonstrated higher quality. Investigators reported a variety of test construction and validation methods. The most commonly reported test construction methods included "modified Delphi Techniques" for item selection, reliability measurement using inter-rater agreement, and intra-class correlations between test items or subtests. Modern test theory, in particular generalizability theory, was used in nine (18%) of studies. Test score validity has been addressed in multiple investigations and shown a significant improvement in reporting accuracy. However the assessment of predicative has been low across the majority of studies. Usability and practicality of testing occasions and tools was only anecdotally reported. To more completely comply with the gold standards for PA design, both shared experience of experts and recognition of test construction standards, including reliability and validity measurements, instrument piloting, rater training, and explicit identification of the purpose and proposed use of the assessment tool, are required.

Computational smart polymer design based on elastin protein mutability.

PubMed

Tarakanova, Anna; Huang, Wenwen; Weiss, Anthony S; Kaplan, David L; Buehler, Markus J

2017-05-01

Soluble elastin-like peptides (ELPs) can be engineered into a range of physical forms, from hydrogels and scaffolds to fibers and artificial tissues, finding numerous applications in medicine and engineering as "smart polymers". Elastin-like peptides are attractive candidates as a platform for novel biomaterial design because they exhibit a highly tunable response spectrum, with reversible phase transition capabilities. Here, we report the design of the first virtual library of elastin-like protein models using methods for enhanced sampling to study the effect of peptide chemistry, chain length, and salt concentration on the structural transitions of ELPs, exposing associated molecular mechanisms. We describe the behavior of the local molecular structure under increasing temperatures and the effect of peptide interactions with nearest hydration shell water molecules on peptide mobility and propensity to exhibit structural transitions. Shifts in the magnitude of structural transitions at the single-molecule scale are explained from the perspective of peptide-ion-water interactions in a library of four unique elastin-like peptide systems. Predictions of structural transitions are subsequently validated in experiment. This library is a valuable resource for recombinant protein design and synthesis as it elucidates mechanisms at the single-molecule level, paving a feedback path between simulation and experiment for smart material designs, with applications in biomedicine and diagnostic devices. Copyright © 2017. Published by Elsevier Ltd.

Features and uses of high-fidelity medical simulations that lead to effective learning: a BEME systematic review.

PubMed

Issenberg, S Barry; McGaghie, William C; Petrusa, Emil R; Lee Gordon, David; Scalese, Ross J

2005-01-01

1969 to 2003, 34 years. Simulations are now in widespread use in medical education and medical personnel evaluation. Outcomes research on the use and effectiveness of simulation technology in medical education is scattered, inconsistent and varies widely in methodological rigor and substantive focus. Review and synthesize existing evidence in educational science that addresses the question, 'What are the features and uses of high-fidelity medical simulations that lead to most effective learning?'. The search covered five literature databases (ERIC, MEDLINE, PsycINFO, Web of Science and Timelit) and employed 91 single search terms and concepts and their Boolean combinations. Hand searching, Internet searches and attention to the 'grey literature' were also used. The aim was to perform the most thorough literature search possible of peer-reviewed publications and reports in the unpublished literature that have been judged for academic quality. Four screening criteria were used to reduce the initial pool of 670 journal articles to a focused set of 109 studies: (a) elimination of review articles in favor of empirical studies; (b) use of a simulator as an educational assessment or intervention with learner outcomes measured quantitatively; (c) comparative research, either experimental or quasi-experimental; and (d) research that involves simulation as an educational intervention. Data were extracted systematically from the 109 eligible journal articles by independent coders. Each coder used a standardized data extraction protocol. Qualitative data synthesis and tabular presentation of research methods and outcomes were used. Heterogeneity of research designs, educational interventions, outcome measures and timeframe precluded data synthesis using meta-analysis. Coding accuracy for features of the journal articles is high. The extant quality of the published research is generally weak. The weight of the best available evidence suggests that high-fidelity medical simulations facilitate learning under the right conditions. These include the following: providing feedback--51 (47%) journal articles reported that educational feedback is the most important feature of simulation-based medical education; repetitive practice--43 (39%) journal articles identified repetitive practice as a key feature involving the use of high-fidelity simulations in medical education; curriculum integration--27 (25%) journal articles cited integration of simulation-based exercises into the standard medical school or postgraduate educational curriculum as an essential feature of their effective use; range of difficulty level--15 (14%) journal articles address the importance of the range of task difficulty level as an important variable in simulation-based medical education; multiple learning strategies--11 (10%) journal articles identified the adaptability of high-fidelity simulations to multiple learning strategies as an important factor in their educational effectiveness; capture clinical variation--11 (10%) journal articles cited simulators that capture a wide variety of clinical conditions as more useful than those with a narrow range; controlled environment--10 (9%) journal articles emphasized the importance of using high-fidelity simulations in a controlled environment where learners can make, detect and correct errors without adverse consequences; individualized learning--10 (9%) journal articles highlighted the importance of having reproducible, standardized educational experiences where learners are active participants, not passive bystanders; defined outcomes--seven (6%) journal articles cited the importance of having clearly stated goals with tangible outcome measures that will more likely lead to learners mastering skills; simulator validity--four (3%) journal articles provided evidence for the direct correlation of simulation validity with effective learning. While research in this field needs improvement in terms of rigor and quality, high-fidelity medical simulations are educationally effective and simulation-based education complements medical education in patient care settings.

Analytical design of modified Smith predictor for unstable second-order processes with time delay

NASA Astrophysics Data System (ADS)

Ajmeri, Moina; Ali, Ahmad

2017-06-01

In this paper, a modified Smith predictor using three controllers, namely, stabilising (Gc), set-point tracking (Gc1), and load disturbance rejection (Gc2) controllers is proposed for second-order unstable processes with time delay. Controllers of the proposed structure are tuned using direct synthesis approach as this method enables the user to achieve a trade-off between the performance and robustness by adjusting a single design parameter. Furthermore, suitable values of the tuning parameters are recommended after studying their effect on the closed-loop performance and robustness. This is the main advantage of the proposed work over other recently published manuscripts, where authors provide only suitable ranges for the tuning parameters in spite of giving their suitable values. Simulation studies show that the proposed method results in satisfactory performance and improved robustness as compared to the recently reported control schemes. It is observed that the proposed scheme is able to work in the noisy environment also.

Integrated Solvent Design for CO 2 Capture and Viscosity Tuning

DOE PAGES

Cantu, David C.; Malhotra, Deepika; Koech, Phillip K.; ...

2017-08-18

We present novel design strategies for reduced viscosity single-component, water-lean CO 2 capture organic solvent systems. Through molecular simulation, we identify the main molecular-level descriptor that influences bulk solvent viscosity. Upon loading, a zwitterionic structure forms with a small activation energy of ca 16 kJ/mol and a small stabilization of ca 6 kJ/mol. Viscosity increases exponentially with CO 2 loading due to hydrogen-bonding between neighboring Zwitterions. We find that molecular structures that promote internal hydrogen bonding (within the same molecule) and suppress interactions with neighboring molecules have low viscosities. In addition, tuning the acid/base properties leads to a shift ofmore » the equilibrium toward a non-charged (acid) form that further reduces the viscosity. Here, based on the above structural criteria, a reduced order model is also presented that allows for the quick screening of large compound libraries and down selection of promising candidates for synthesis and testing.« less

A VLF-based technique in applications to digital control of nonlinear hybrid multirate systems

NASA Astrophysics Data System (ADS)

Vassilyev, Stanislav; Ulyanov, Sergey; Maksimkin, Nikolay

2017-01-01

In this paper, a technique for rigorous analysis and design of nonlinear multirate digital control systems on the basis of the reduction method and sublinear vector Lyapunov functions is proposed. The control system model under consideration incorporates continuous-time dynamics of the plant and discrete-time dynamics of the controller and takes into account uncertainties of the plant, bounded disturbances, nonlinear characteristics of sensors and actuators. We consider a class of multirate systems where the control update rate is slower than the measurement sampling rates and periodic non-uniform sampling is admitted. The proposed technique does not use the preliminary discretization of the system, and, hence, allows one to eliminate the errors associated with the discretization and improve the accuracy of analysis. The technique is applied to synthesis of digital controller for a flexible spacecraft in the fine stabilization mode and decentralized controller for a formation of autonomous underwater vehicles. Simulation results are provided to validate the good performance of the designed controllers.

Design and Synthesis of a Novel Class of Flavonoid Derivatives via Sequential Phosphorylation and its Application for Greener Nanoparticle Synthesis

NASA Astrophysics Data System (ADS)

Osonga, Francis Juma

Flavonoids exhibit arrays of biological effects that are beneficial to humans, including anti-viral, anti-oxidative, anti-inflammatory and anti-carcinogenic effects. However, these applications have been hindered by their poor stability and solubility in common solvents. Consequently, there is significant interest in the modification of flavonoids to improve their solubility. This poor solubility is also believed to be responsible for its permeability and bioavailability. Hence the central goal of this work is to design synthetic strategies for the sequential protection of the -OH groups in order to produce phosphorylated quercetin and apigenin derivatives. This work is divided into two parts: the first part presents the design, synthesis, and characterization of novel flavonoid derivatives via global and sequential phosphorylation. The second part focuses on the application of the synthesized derivatives for greener nanoparticle synthesis. This work shows for the first time that sequential phosphorylation of Quercetin is feasible through the design of 4 new derivatives namely: 5,4'-O-Quercetin Diphosphate (QDPI), 4'-O-phosphate Quercetin (4'-QPI), 5,4'-Quercetin Diphosphate (5,4'-QDP) and monophosphate 4-QP. The synthesis of 4'-QP and 5, 4'-QDP was successful with 85% and 60.5% yields respectively. In addition, the progress towards the total synthesis of apigenin phosphate derivatives (7, 4'-ADP and 7-AP) is presented. The synthesized derivatives were characterized using 1H, 13C, and 31P NMR. The phosphorylated derivatives were subsequently explored as reducing agents for sustainable synthesis of gold, silver and copper nanoparticles. We have successfully demonstrated the photochemical synthesis of gold nanoplates of sizes ranging from 10 - 200 nm using water soluble QDP in the presence of sunlight. This work contributes immensely in promoting the ideals of green nanosynthesis by (i) eliminating the use of organic solvents in the nanosynthesis, (ii) exploiting the naturally-derived flavonoids as reducing and stabilizing reagents without any other extraneous reagents, and (iii) achieving anisotropic nanosynthesis using sunlight and at room temperature.

Huygens' optical vector wave field synthesis via in-plane electric dipole metasurface.

PubMed

Park, Hyeonsoo; Yun, Hansik; Choi, Chulsoo; Hong, Jongwoo; Kim, Hwi; Lee, Byoungho

2018-04-16

We investigate Huygens' optical vector wave field synthesis scheme for electric dipole metasurfaces with the capability of modulating in-plane polarization and complex amplitude and discuss the practical issues involved in realizing multi-modulation metasurfaces. The proposed Huygens' vector wave field synthesis scheme identifies the vector Airy disk as a synthetic unit element and creates a designed vector optical field by integrating polarization-controlled and complex-modulated Airy disks. The metasurface structure for the proposed vector field synthesis is analyzed in terms of the signal-to-noise ratio of the synthesized field distribution. The design of practical metasurface structures with true vector modulation capability is possible through the analysis of the light field modulation characteristics of various complex modulated geometric phase metasurfaces. It is shown that the regularization of meta-atoms is a key factor that needs to be considered in field synthesis, given that it is essential for a wide range of optical field synthetic applications, including holographic displays, microscopy, and optical lithography.

Structure tracking aided design and synthesis of Li 3V 2(PO 4) 3 nanocrystals as high-power cathodes for lithium ion batteries

DOE PAGES

Wang, Liping; Bai, Jianming; Gao, Peng; ...

2015-07-30

In this study, preparing new electrode materials with synthetic control of phases and electrochemical properties is desirable for battery applications but hardly achievable without knowing how the synthesis reaction proceeds. Herein, we report on structure tracking-aided design and synthesis of single-crystalline Li 3V 2(PO 4) 3 (LVP) nanoparticles with extremely high rate capability. A comprehensive investigation was made to the local structural orderings of the involved phases and their evolution toward forming LVP phase using in situ/ex situ synchrotron X-ray and electron-beam diffraction, spectroscopy, and imaging techniques. The results shed light on the thermodynamics and kinetics of synthesis reactions andmore » enabled the design of a cost-efficient synthesis protocol to make nanocrystalline LVP, wherein solvothermal treatment is a crucial step leading to an amorphous intermediate with local structural ordering resembling that of LVP, which, upon calcination at moderate temperatures, rapidly transforms into the desired LVP phase. The obtained LVP particles are about 50 nm, coated with a thin layer of amorphous carbon and featured with excellent cycling stability and rate capability – 95% capacity retention after 200 cycles and 66% theoretical capacity even at a current rate of 10 C. The structure tracking based method we developed in this work offers a new way of designing battery electrodes with synthetic control of material phases and properties.« less

Wave field synthesis of moving virtual sound sources with complex radiation properties.

PubMed

Ahrens, Jens; Spors, Sascha

2011-11-01

An approach to the synthesis of moving virtual sound sources with complex radiation properties in wave field synthesis is presented. The approach exploits the fact that any stationary sound source of finite spatial extent radiates spherical waves at sufficient distance. The angular dependency of the radiation properties of the source under consideration is reflected by the amplitude and phase distribution on the spherical wave fronts. The sound field emitted by a uniformly moving monopole source is derived and the far-field radiation properties of the complex virtual source under consideration are incorporated in order to derive a closed-form expression for the loudspeaker driving signal. The results are illustrated via numerical simulations of the synthesis of the sound field of a sample moving complex virtual source.

Particle release and control of worker exposure during laboratory-scale synthesis, handling and simulated spills of manufactured nanomaterials in fume hoods

NASA Astrophysics Data System (ADS)

Fonseca, Ana S.; Kuijpers, Eelco; Kling, Kirsten I.; Levin, Marcus; Koivisto, Antti J.; Nielsen, Signe H.; Fransman, W.; Fedutik, Yijri; Jensen, Keld A.; Koponen, Ismo K.

2018-02-01

Fume hoods are one of the most common types of equipment applied to reduce the potential of particle exposure in laboratory environments. A number of previous studies have shown particle release during work with nanomaterials under fume hoods. Here, we assessed laboratory workers' inhalation exposure during synthesis and handling of CuO, TiO2 and ZnO in a fume hood. In addition, we tested the capacity of a fume hood to prevent particle release to laboratory air during simulated spillage of different powders (silica fume, zirconia TZ-3Y and TiO2). Airborne particle concentrations were measured in near field, far field, and in the breathing zone of the worker. Handling CuO nanoparticles increased the concentration of small particles (< 58 nm) inside the fume hood (up to 1 × 105 cm-3). Synthesis, handling and packaging of ZnO and TiO2 nanoparticles did not result in detectable particle release to the laboratory air. Simulated powder spills showed a systematic increase in the particle concentrations inside the fume hood with increasing amount of material and drop height. Despite powder spills were sometimes observed to eject into the laboratory room, the spill events were rarely associated with notable release of particles from the fume hood. Overall, this study shows that a fume hood generally offers sufficient exposure control during synthesis and handling of nanomaterials. An appropriate fume hood with adequate sash height and face velocity prevents 98.3% of particles release into the surrounding environment. Care should still be made to consider spills and high cleanliness to prevent exposure via resuspension and inadvertent exposure by secondary routes.

Transitioning from Software Requirements Models to Design Models

NASA Technical Reports Server (NTRS)

Lowry, Michael (Technical Monitor); Whittle, Jon

2003-01-01

Summary: 1. Proof-of-concept of state machine synthesis from scenarios - CTAS case study. 2. CTAS team wants to use the syntheses algorithm to validate trajectory generation. 3. Extending synthesis algorithm towards requirements validation: (a) scenario relationships' (b) methodology for generalizing/refining scenarios, and (c) interaction patterns to control synthesis. 4. Initial ideas tested on conflict detection scenarios.

Naturalistic drive cycle synthesis for pickup trucks.

PubMed

Liu, Zifan; Ivanco, Andrej; Filipi, Zoran

2015-09-01

Future pick-up trucks are meeting much stricter fuel economy and exhaust emission standards. Design tradeoffs will have to be carefully evaluated to satisfy consumer expectations within the regulatory and cost constraints. Boundary conditions will obviously be critical for decision making: thus, the understanding of how customers are driving in naturalistic settings is indispensable. Federal driving schedules, while critical for certification, do not capture the richness of naturalistic cycles, particularly the aggressive maneuvers that often shape consumer perception of performance. While there are databases with large number of drive cycles, applying all of them directly in the design process is impractical. Therefore, representative drive cycles that capture the essence of the naturalistic driving should be synthesized from naturalistic driving data. Naturalistic drive cycles are firstly categorized by investigating their micro-trip components, defined as driving activities between successive stops. Micro-trips are expected to characterize underlying local traffic conditions, and separate different driving patterns. Next, the transitions from one vehicle state to another vehicle state in each cycle category are captured with Transition Probability Matrix (TPM). Candidate drive cycles can subsequently be synthesized using Markov Chain based on TPMs for each category. Finally, representative synthetic drive cycles are selected through assessment of significant cycle metrics to identify the ones with smallest errors. This paper provides a framework for synthesis of representative drive cycles from naturalistic driving data, which can subsequently be used for efficient optimization of design or control of pick-up truck powertrains. Manufacturers will benefit from representative drive cycles in several aspects, including quick assessments of vehicle performance and energy consumption in simulations, component sizing and design, optimization of control strategies, and vehicle testing under real-world conditions. This is in contrast to using federal certification test cycles, which were never intended to capture pickup truck segment. Copyright © 2015 Elsevier Ltd and National Safety Council. All rights reserved.

Assessment and simulation of global terrestrial latent heat flux by synthesis of CMIP5 climate models and surface eddy covariance observations

Treesearch

Yunjun Yao; Shunlin Liang; Xianglan Li; Shaomin Liu; Jiquan Chen; Xiaotong Zhang; Kun Jia; Bo Jiang; Xianhong Xie; Simon Munier; Meng Liu; Jian Yu; Anders Lindroth; Andrej Varlagin; Antonio Raschi; Asko Noormets; Casimiro Pio; Georg Wohlfahrt; Ge Sun; Jean-Christophe Domec; Leonardo Montagnani; Magnus Lund; Moors Eddy; Peter D. Blanken; Thomas Grunwald; Sebastian Wolf; Vincenzo Magliulo

2016-01-01

The latent heat flux (LE) between the terrestrial biosphere and atmosphere is a major driver of the globalhydrological cycle. In this study, we evaluated LE simulations by 45 general circulation models (GCMs)in the Coupled Model Intercomparison Project Phase 5 (CMIP5) by a comparison...

The western arctic linkage experiment (WALE): overview and synthesis

Treesearch

A.D. McGuire; J. Walsh; J.S. Kimball; J.S. Clein; S.E. Euskirdhen; S. Drobot; U.C. Herzfeld; J. Maslanik; R.B. Lammers; M.A. Rawlins; C.J. Vorosmarty; T.S. Rupp; W. Wu; M. Calef

2008-01-01

The primary goal of the Western Arctic Linkage Experiment (WALE) was to better understand uncertainties of simulated hydrologic and ecosystem dynamics of the western Arctic in the context of 1) uncertainties in the data available to drive the models and 2) different approaches to simulating regional hydrology and ecosystem dynamics. Analyses of datasets on climate...

Tutorial on the Psychophysics and Technology of Virtual Acoustic Displays

NASA Technical Reports Server (NTRS)

Wenzel, Elizabeth M.; Null, Cynthia (Technical Monitor)

1998-01-01

Virtual acoustics, also known as 3-D sound and auralization, is the simulation of the complex acoustic field experienced by a listener within an environment. Going beyond the simple intensity panning of normal stereo techniques, the goal is to process sounds so that they appear to come from particular locations in three-dimensional space. Although loudspeaker systems are being developed, most of the recent work focuses on using headphones for playback and is the outgrowth of earlier analog techniques. For example, in binaural recording, the sound of an orchestra playing classical music is recorded through small mics in the two "ear canals" of an anthropomorphic artificial or "dummy" head placed in the audience of a concert hall. When the recorded piece is played back over headphones, the listener passively experiences the illusion of hearing the violins on the left and the cellos on the right, along with all the associated echoes, resonances, and ambience of the original environment. Current techniques use digital signal processing to synthesize the acoustical properties that people use to localize a sound source in space. Thus, they provide the flexibility of a kind of digital dummy head, allowing a more active experience in which a listener can both design and move around or interact with a simulated acoustic environment in real time. Such simulations are being developed for a variety of application areas including architectural acoustics, advanced human-computer interfaces, telepresence and virtual reality, navigation aids for the visually-impaired, and as a test bed for psychoacoustical investigations of complex spatial cues. The tutorial will review the basic psychoacoustical cues that determine human sound localization and the techniques used to measure these cues as Head-Related Transfer Functions (HRTFs) for the purpose of synthesizing virtual acoustic environments. The only conclusive test of the adequacy of such simulations is an operational one in which the localization of real and synthesized stimuli are directly compared in psychophysical studies. To this end, the results of psychophysical experiments examining the perceptual validity of the synthesis technique will be reviewed and factors that can enhance perceptual accuracy and realism will be discussed. Of particular interest is the relationship between individual differences in HRTFs and in behavior, the role of reverberant cues in reducing the perceptual errors observed with virtual sound sources, and the importance of developing perceptually valid methods of simplifying the synthesis technique. Recent attempts to implement the synthesis technique in real time systems will also be discussed and an attempt made to interpret their quoted system specifications in terms of perceptual performance. Finally, some critical research and technology development issues for the future will be outlined.

Control of arachidonic acid release in chick muscle cultures

NASA Technical Reports Server (NTRS)

Templeton, G. H.; Padalino, M.; Wright, W.

1985-01-01

Cultures from thigh muscles of 12 day old embryonic chicks are utilized to examine arachidonic release, prostaglandin (PG) biosynthesis, and protein synthesis. The preparation of the cultures is described. It is observed that exogenous arachidonic acid is formed into photsphatidylethanolamine and phosphatidylcholine, is released by a calcium ionosphere or phospholiphase simulator, and is the substrate for the biosynthesis of PG; the epidermal growth factor and PGF do not stimulate protein synthesis over the basal levels. The relationship between arachidonate release and melittin is studied. The data reveal that a change in intracellular calcium stimulates phospholiphase activity, arachidonate release, and PG synthesis in chick muscle culture.

POROUS ALUMINOPHOSPHATES :From Molecular Sieves to Designed Acid Catalysts

NASA Astrophysics Data System (ADS)

Pastore, H. O.; Coluccia, S.; Marchese, L.

2005-08-01

This review covers the synthesis, characterization, and physico-chemical properties of microporous and mesoporous aluminophosphates and silicoaluminophosphates molecular sieves. Particular emphasis is given to the materials that have found applications as acid catalysts. We consider the evolution of the synthesis procedures from the first discoveries to the current methodologies and give perspectives for new possible synthesis strategies. Emphasis is given to the use of specially prepared precursors/reactants designed for the use as molecular sieves. Experimental (especially MAS-NMR and FTIR spectroscopy) and theoretical approaches to the description of the Si insertion into the ALPO framework and to the acidic properties of SAPOs and MeAPSOs materials are discussed.

NREL to Lead New Consortium to Develop Advanced Water Splitting Materials

Science.gov Websites

said. "Our research strategy integrates computational tools and modeling, material synthesis needs, such as high-throughput synthesis techniques and auxiliary component design. HydroGEN is the

Designing a multiroute synthesis scheme in combinatorial chemistry.

PubMed

Akavia, Adi; Senderowitz, Hanoch; Lerner, Alon; Shamir, Ron

2004-01-01

Solid-phase mix-and-split combinatorial synthesis is often used to produce large arrays of compounds to be tested during the various stages of the drug development process. This method can be represented by a synthesis graph in which nodes correspond to grow operations and arcs to beads transferred among the different reaction vessels. In this work, we address the problem of designing such a graph which maximizes the number of produced target compounds (namely, compounds out of an input library of desired molecules), given constraints on the number of beads used for library synthesis and on the number of reaction vessels available for concurrent grow steps. We present a heuristic based on a discrete search for solving this problem, test our solution on several data sets, explore its behavior, and show that it achieves good performance.

Synthesis of Algorithm for Range Measurement Equipment to Track Maneuvering Aircraft Using Data on Its Dynamic and Kinematic Parameters

NASA Astrophysics Data System (ADS)

Pudovkin, A. P.; Panasyuk, Yu N.; Danilov, S. N.; Moskvitin, S. P.

2018-05-01

The problem of improving automated air traffic control systems is considered through the example of the operation algorithm synthesis for a range measurement channel to track the aircraft, using its kinematic and dynamic parameters. The choice of the state and observation models has been justified, the computer simulations have been performed and the results of the investigated algorithms have been obtained.

Precision Requirements for Space-based XCO2 Data

NASA Technical Reports Server (NTRS)

Miller, C. E.; Crisp, D.; DeCola, P. C.; Olsen, S. C.; Randerson, J. T.; Rayner, P.; Jacob, D.J.; Jones, D.; Suntharalingam, P.

2005-01-01

Precision requirements have been determined for the column-averaged CO2 dry air mole fraction (X(sub CO2)) data products to be delivered by the Orbiting Carbon Observatory (OCO). These requirements result from an assessment of the amplitude and spatial gradients in X(sub CO2), the relationship between X(sub CO2) precision and surface CO2 flux uncertainties calculated from inversions of the X(sub CO2) data, and the effects of X,,Z biases on CO2 flux inversions. Observing system simulation experiments and synthesis inversion modeling demonstrate that the OCO mission design and sampling strategy provide the means to achieve the X(sub CO2) precision requirements. The impact of X(sub CO2) biases on CO2 flux uncertainties depend on their spatial and temporal extent since CO2 sources and sinks are inferred from regional-scale X(sub CO2) gradients. Simulated OCO sampling of the TRACE-P CO2 fields shows the ability of X(sub CO2) data to constrain CO2 flux inversions over Asia and distinguish regional fluxes from India and China.

Implementation of STUD Pulses at the Trident Laser and Initial Results

NASA Astrophysics Data System (ADS)

Johnson, R. P.; Shimada, T.; Montgomery, D. S.; Afeyan, B.; Hüller, S.

2012-10-01

Controlling and mitigating laser-plasma instabilities such as stimulated Brillouin scattering, stimulated Raman scattering, and crossed-beam energy transfer is important to achieve high-gain inertial fusion using laser drivers. Recent theory and simulations show that these instabilities can be largely controlled using laser pulses consisting of spike trains of uneven duration and delay (STUD) by modulating the laser on a picosecond time scale [1,2]. We have designed and implemented a STUD pulse generator at the LANL Trident Laser Facility using Fourier synthesis to produce a 0.5-ns envelope of psec-duration STUD pulses using a spatial light modulator. Initial results from laser propagation tests and measurements as well as initial laser-plasma characterization experiments will be presented.[4pt] [1] B. Afeyan and S. H"uller, ``Optimal Control of Laser Plasma Instabilities using STUD pulses,'' IFSA 2011, P.Mo.1, to appear in Euro. Phys. J. Web of Conf. (2012).[2] S. H"uller and B. Afeyan, ``Simulations of drastically reduced SBS with STUD pulses,'' IFSA 2011, O.Tu8-1, to appear in Euro. Phys. J. Web of Conf. (2012).

Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.

PubMed

Guo, Dezhou; Zybin, Sergey V; An, Qi; Goddard, William A; Huang, Fenglei

2016-01-21

The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman-Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained detonation. This provides the critical properties and product kinetics for input to macroscale continuum simulations of energetic materials. We propose the ReaxFF Reactive Dynamics to CJ point protocol (Rx2CJ) for predicting the CJ state parameters, providing the means to predict the performance of new materials prior to synthesis and characterization, allowing the simulation based design to be done in silico. Our Rx2CJ method is based on atomistic reactive molecular dynamics (RMD) using the QM-derived ReaxFF force field. We validate this method here by predicting the CJ point and detonation products for three typical energetic materials. We find good agreement between the predicted and experimental detonation velocities, indicating that this method can reliably predict the CJ state using modest levels of computation.

Accurate atomistic potentials and training sets for boron-nitride nanostructures

NASA Astrophysics Data System (ADS)

Tamblyn, Isaac

Boron nitride nanotubes exhibit exceptional structural, mechanical, and thermal properties. They are optically transparent and have high thermal stability, suggesting a wide range of opportunities for structural reinforcement of materials. Modeling can play an important role in determining the optimal approach to integrating nanotubes into a supporting matrix. Developing accurate, atomistic scale models of such nanoscale interfaces embedded within composites is challenging, however, due to the mismatch of length scales involved. Typical nanotube diameters range from 5-50 nm, with a length as large as a micron (i.e. a relevant length-scale for structural reinforcement). Unlike their carbon-based counterparts, well tested and transferable interatomic force fields are not common for BNNT. In light of this, we have developed an extensive training database of BN rich materials, under conditions relevant for BNNT synthesis and composites based on extensive first principles molecular dynamics simulations. Using this data, we have produced an artificial neural network potential capable of reproducing the accuracy of first principles data at significantly reduced computational cost, allowing for accurate simulation at the much larger length scales needed for composite design.

First-principles investigation of the structural characteristics of LiMO2 cathode materials for lithium secondary batteries

NASA Astrophysics Data System (ADS)

Kim, Yongseon

2015-11-01

The structural features related to the defects of LiMO2 (M = Ni, Co, Mn) cathode materials for lithium secondary batteries were investigated by a simulation of phase diagrams based on first-principle calculations. Crystal models with various types of point defects were designed and dealt with as independent phases, which enabled an examination of the thermodynamic stability of the defects. A perfect phase without defects appeared to be the most stable for LiCoO2, whereas the formation of Li vacancies, O vacancies, and antisites between Li and Ni was thermodynamically unavoidable for LiNiO2. The introduction of both Co and Mn in LiNiO2 was effective in reducing the formation of point defects, but increasing the relative amount of Mn was undesirable because the antisite defect remained stable with Mn doping. The simulation showed good agreement with the experimental data and previous reports. Therefore, the method and the results of this study are expected to be useful for examining the synthesis, structure and related properties of layer-structured cathode materials.

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

James K. Neathery; Gary Jacobs; Burtron H. Davis

In this reporting period, a fundamental filtration study was started to investigate the separation of Fischer-Tropsch Synthesis (FTS) liquids from iron-based catalyst particles. Slurry-phase FTS in slurry bubble column reactor systems is the preferred mode of production since the reaction is highly exothermic. Consequently, heavy wax products must be separated from catalyst particles before being removed from the reactor system. Achieving an efficient wax product separation from iron-based catalysts is one of the most challenging technical problems associated with slurry-phase FTS. The separation problem is further compounded by catalyst particle attrition and the formation of ultra-fine iron carbide and/or carbonmore » particles. Existing pilot-scale equipment was modified to include a filtration test apparatus. After undergoing an extensive plant shakedown period, filtration tests with cross-flow filter modules using simulant FTS wax slurry were conducted. The focus of these early tests was to find adequate mixtures of polyethylene wax to simulate FTS wax. Catalyst particle size analysis techniques were also developed. Initial analyses of the slurry and filter permeate particles will be used by the research team to design improved filter media and cleaning strategies.« less

Image simulation for automatic license plate recognition

NASA Astrophysics Data System (ADS)

Bala, Raja; Zhao, Yonghui; Burry, Aaron; Kozitsky, Vladimir; Fillion, Claude; Saunders, Craig; Rodríguez-Serrano, José

2012-01-01

Automatic license plate recognition (ALPR) is an important capability for traffic surveillance applications, including toll monitoring and detection of different types of traffic violations. ALPR is a multi-stage process comprising plate localization, character segmentation, optical character recognition (OCR), and identification of originating jurisdiction (i.e. state or province). Training of an ALPR system for a new jurisdiction typically involves gathering vast amounts of license plate images and associated ground truth data, followed by iterative tuning and optimization of the ALPR algorithms. The substantial time and effort required to train and optimize the ALPR system can result in excessive operational cost and overhead. In this paper we propose a framework to create an artificial set of license plate images for accelerated training and optimization of ALPR algorithms. The framework comprises two steps: the synthesis of license plate images according to the design and layout for a jurisdiction of interest; and the modeling of imaging transformations and distortions typically encountered in the image capture process. Distortion parameters are estimated by measurements of real plate images. The simulation methodology is successfully demonstrated for training of OCR.

Attitude Control for an Aero-Vehicle Using Vector Thrusting and Variable Speed Control Moment Gyros

NASA Technical Reports Server (NTRS)

Shin, Jong-Yeob; Lim, K. B.; Moerder, D. D.

2005-01-01

Stabilization of passively unstable thrust-levitated vehicles can require significant control inputs. Although thrust vectoring is a straightforward choice for realizing these inputs, this may lead to difficulties discussed in the paper. This paper examines supplementing thrust vectoring with Variable-Speed Control Moment Gyroscopes (VSCMGs). The paper describes how to allocate VSCMGs and the vectored thrust mechanism for attitude stabilization in frequency domain and also shows trade-off between vectored thrust and VSCMGs. Using an H2 control synthesis methodology in LMI optimization, a feedback control law is designed for a thrust-levitated research vehicle and is simulated with the full nonlinear model. It is demonstrated that VSCMGs can reduce the use of vectored thrust variation for stabilizing the hovering platform in the presence of strong wind gusts.

A miniature filter on a suspended substrate with a two-sided pattern of strip conductors

NASA Astrophysics Data System (ADS)

Belyaev, B. A.; Voloshin, A. S.; Bulavchuk, A. S.; Galeev, R. G.

2016-06-01

A miniature bandpass filter of new design with original stripline resonators on suspended substrate has been studied. The proposed filters of third to sixth order are distinguished for their high frequency-selective properties and mush smaller size in comparison to analogs. It is shown that a broad stopband extending above three-fold central bandpass frequency is determined by weak coupling of resonators at resonances of the second and third modes. A prototype sixth-order filter with a central frequency of 1 GHz, manufactured on a ceramic substrate with dielectric permittivity ɛ = 80, has contour dimensions of 36.6 × 4.8 × 0.5 mm3. Parametric synthesis of the filter, based on electrodynamic 3D model simulations, showed quite good agreement with the results of measurements.

Degradation behavior of carbon nanotubes/phenol-furfuryl alcohol multifunctional composites with aerospace application

NASA Astrophysics Data System (ADS)

Conejo, L. S.; Costa, M. L.; Oishi, S. S.; Botelho, E. C.

2017-10-01

Lightweight and highly conductive composite associated with good impact and tribological properties could be used in the aerospace industry to replace metal for an aircraft skin and still provide effective shielding against electromagnetic interference (EMI). Also, phenol-furfuryl alcohol resins (PFA) are excellent candidates to replace existing thermoset matrices used for obtaining glassy carbon, both in its pure form and reinforced with nanoscale structures. The synthesis of PFA allow obtaining a resin with better properties than that showed by conventional phenolic resins and with synthesis and cure processes more controlled than observed for the furfuryl alcohol resin. This work has as main purpose the synthesis and thermal characterization of PFA resin and its nanostructured composites with different concentrations of carbon nanotubes (0, 0.1, 0.5 and 1.0 wt%). PFA resin was synthesized with 1:2:1 molar ratio of phenol/formaldehyde/furfuryl alcohol, according to the more appropriate condition obtained previously. The specimens were evaluated by thermogravimetry (TGA) to knowledge of the temperature of thermal degradation, either by actual analyses as simulated by simulation heating rate conversion software (known as Highway Simulation). The introduction of CNT in PFA sample does not affect its thermal stability. The values of residual weight found for samples with CNT additions are close to the values of the phenolic resin in the literature (about 60% residual weight).

Fast Synthesis of Gibbsite Nanoplates and Process Optimization using Box-Behnken Experimental Design

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

Zhang, Xin; Zhang, Xianwen; Graham, Trent R.

Developing the ability to synthesize compositionally and morphologically well-defined gibbsite particles at the nanoscale with high yield is an ongoing need that has not yet achieved the level of rational design. Here we report optimization of a clean inorganic synthesis route based on statistical experimental design examining the influence of Al(OH)3 gel precursor concentration, pH, and aging time at temperature. At 80 oC, the optimum synthesis conditions of gel concentration at 0.5 M, pH at 9.2, and time at 72 h maximized the reaction yield up to ~87%. The resulting gibbsite product is composed of highly uniform euhedral hexagonal nanoplatesmore » within a basal plane diameter range of 200-400 nm. The independent roles of key system variables in the growth mechanism are considered. On the basis of these optimized experimental conditions, the synthesis procedure, which is both cost-effective and environmentally friendly, has the potential for mass production scale-up of high quality gibbsite material for various fundamental research and industrial applications.« less

Solution Synthesis of Atomically Precise Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Shekhirev, Mikhail; Sinitskii, Alexander

2017-05-01

Bottom-up fabrication of narrow strips of graphene, also known as graphene nanoribbons or GNRs, is an attractive way to open a bandgap in semimetallic graphene. In this chapter, we review recent progress in solution-based synthesis of GNRs with atomically precise structures. We discuss a variety of atomically precise GNRs and highlight theoretical and practical aspects of their structural design and solution synthesis. These GNRs are typically synthesized through a polymerization of rationally designed molecular precursors followed by a planarization through a cyclodehydrogenation reaction. We discuss various synthetic techniques for polymerization and planarization steps, possible approaches for chemical modification of GNRs, and compare the properties of GNRs that could be achieved by different synthetic methods. We also discuss the importance of the rational design of molecular precursors to avoid isomerization during the synthesis and achieve GNRs that have only one possible structure. Significant attention in this chapter is paid to the methods of material characterization of solution-synthesized GNRs. The chapter is concluded with the discussion of the most significant challenges in the field and the future outlook.

Design of a multisensor data fusion system for target detection

NASA Astrophysics Data System (ADS)

Thomopoulos, Stelios C.; Okello, Nickens N.; Kadar, Ivan; Lovas, Louis A.

1993-09-01

The objective of this paper is to discuss the issues that are involved in the design of a multisensor fusion system and provide a systematic analysis and synthesis methodology for the design of the fusion system. The system under consideration consists of multifrequency (similar) radar sensors. However, the fusion design must be flexible to accommodate additional dissimilar sensors such as IR, EO, ESM, and Ladar. The motivation for the system design is the proof of the fusion concept for enhancing the detectability of small targets in clutter. In the context of down-selecting the proper configuration for multisensor (similar and dissimilar, and centralized vs. distributed) data fusion, the issues of data modeling, fusion approaches, and fusion architectures need to be addressed for the particular application being considered. Although the study of different approaches may proceed in parallel, the interplay among them is crucial in selecting a fusion configuration for a given application. The natural sequence for addressing the three different issues is to begin from the data modeling, in order to determine the information content of the data. This information will dictate the appropriate fusion approach. This, in turn, will lead to a global fusion architecture. Both distributed and centralized fusion architectures are used to illustrate the design issues along with Monte-Carlo simulation performance comparison of a single sensor versus a multisensor centrally fused system.

Two-Stage Design Method for Enhanced Inductive Energy Transmission with Q-Constrained Planar Square Loops.

PubMed

Eteng, Akaa Agbaeze; Abdul Rahim, Sharul Kamal; Leow, Chee Yen; Chew, Beng Wah; Vandenbosch, Guy A E

2016-01-01

Q-factor constraints are usually imposed on conductor loops employed as proximity range High Frequency Radio Frequency Identification (HF-RFID) reader antennas to ensure adequate data bandwidth. However, pairing such low Q-factor loops in inductive energy transmission links restricts the link transmission performance. The contribution of this paper is to assess the improvement that is reached with a two-stage design method, concerning the transmission performance of a planar square loop relative to an initial design, without compromise to a Q-factor constraint. The first stage of the synthesis flow is analytical in approach, and determines the number and spacing of turns by which coupling between similar paired square loops can be enhanced with low deviation from the Q-factor limit presented by an initial design. The second stage applies full-wave electromagnetic simulations to determine more appropriate turn spacing and widths to match the Q-factor constraint, and achieve improved coupling relative to the initial design. Evaluating the design method in a test scenario yielded a more than 5% increase in link transmission efficiency, as well as an improvement in the link fractional bandwidth by more than 3%, without violating the loop Q-factor limit. These transmission performance enhancements are indicative of a potential for modifying proximity HF-RFID reader antennas for efficient inductive energy transfer and data telemetry links.

Development of a new family of conformationally restricted peptides as potent nucleators of beta-turns. Design, synthesis, structure, and biological evaluation of a beta-lactam peptide analogue of melanostatin.

PubMed

Palomo, Claudio; Aizpurua, Jesus M; Benito, Ana; Miranda, José Ignacio; Fratila, Raluca M; Matute, Carlos; Domercq, Maria; Gago, Federico; Martin-Santamaria, Sonsoles; Linden, Anthony

2003-12-31

Novel enantiopure (i)-(beta-lactam)-(Gly)-(i+3) peptide models, defined by the presence of a central alpha-alkyl-alpha-amino-beta-lactam ring placed as the (i+1) residue, have been synthesized in a totally stereocontrolled way by alpha-alkylation of suitable N-[bis(trimethylsilyl)methyl]-beta-lactams. The structural properties of these beta-lactam pseudopeptides have been studied by X-ray crystallography, Molecular Dynamics simulation, and NOESY-restrained NMR simulated annealing techniques, showing a strong tendency to form stable type II or type II' beta-turns either in the solid state or in highly coordinating DMSO solutions. Tetrapeptide models containing syn- or anti-alpha,beta-dialkyl-alpha-amino-beta-lactam rings have also been synthesized and their conformations analyzed, revealing that alpha-alkyl substitution is essential for beta-turn stabilization. A beta-lactam analogue of melanostatin (PLG amide) has also been prepared, characterized as a type-II beta-turn in DMSO-d6 solution, and tested by competitive binding assay as a dopaminergic D2 modulator in rat neuron cultured cells, displaying moderate agonist activity in the micromolar concentration range. On the basis of these results, a novel peptidomimetic design concept, based on the separation of constraint and recognition elements, is proposed.

An analytical bond-order potential for carbon

DOE PAGES

Zhou, Xiaowang; Ward, Donald K.; Foster, Michael E.

2015-05-27

Carbon is the most widely studied material today because it exhibits special properties not seen in any other materials when in nano dimensions such as nanotube and graphene. Reduction of material defects created during synthesis has become critical to realize the full potential of carbon structures. Molecular dynamics (MD) simulations, in principle, allow defect formation mechanisms to be studied with high fidelity, and can, therefore, help guide experiments for defect reduction. Such MD simulations must satisfy a set of stringent requirements. First, they must employ an interatomic potential formalism that is transferable to a variety of carbon structures. Second, themore » potential needs to be appropriately parameterized to capture the property trends of important carbon structures, in particular, diamond, graphite, graphene, and nanotubes. The potential must predict the crystalline growth of the correct phases during direct MD simulations of synthesis to achieve a predictive simulation of defect formation. An unlimited number of structures not included in the potential parameterization are encountered, thus the literature carbon potentials are often not sufficient for growth simulations. We have developed an analytical bond order potential for carbon, and have made it available through the public MD simulation package LAMMPS. We also demonstrate that our potential reasonably captures the property trends of important carbon phases. As a result, stringent MD simulations convincingly show that our potential accounts not only for the crystalline growth of graphene, graphite, and carbon nanotubes but also for the transformation of graphite to diamond at high pressure.« less

An analytical bond-order potential for carbon.

PubMed

Zhou, X W; Ward, D K; Foster, M E

2015-09-05

Carbon is the most widely studied material today because it exhibits special properties not seen in any other materials when in nano dimensions such as nanotube and graphene. Reduction of material defects created during synthesis has become critical to realize the full potential of carbon structures. Molecular dynamics (MD) simulations, in principle, allow defect formation mechanisms to be studied with high fidelity, and can, therefore, help guide experiments for defect reduction. Such MD simulations must satisfy a set of stringent requirements. First, they must employ an interatomic potential formalism that is transferable to a variety of carbon structures. Second, the potential needs to be appropriately parameterized to capture the property trends of important carbon structures, in particular, diamond, graphite, graphene, and nanotubes. Most importantly, the potential must predict the crystalline growth of the correct phases during direct MD simulations of synthesis to achieve a predictive simulation of defect formation. Because an unlimited number of structures not included in the potential parameterization are encountered, the literature carbon potentials are often not sufficient for growth simulations. We have developed an analytical bond order potential for carbon, and have made it available through the public MD simulation package LAMMPS. We demonstrate that our potential reasonably captures the property trends of important carbon phases. Stringent MD simulations convincingly show that our potential accounts not only for the crystalline growth of graphene, graphite, and carbon nanotubes but also for the transformation of graphite to diamond at high pressure. © 2015 Wiley Periodicals, Inc.

Automated optimization techniques for aircraft synthesis

NASA Technical Reports Server (NTRS)

Vanderplaats, G. N.

1976-01-01

Application of numerical optimization techniques to automated conceptual aircraft design is examined. These methods are shown to be a general and efficient way to obtain quantitative information for evaluating alternative new vehicle projects. Fully automated design is compared with traditional point design methods and time and resource requirements for automated design are given. The NASA Ames Research Center aircraft synthesis program (ACSYNT) is described with special attention to calculation of the weight of a vehicle to fly a specified mission. The ACSYNT procedures for automatically obtaining sensitivity of the design (aircraft weight, performance and cost) to various vehicle, mission, and material technology parameters are presented. Examples are used to demonstrate the efficient application of these techniques.

Structured output-feedback controller synthesis with design specifications

NASA Astrophysics Data System (ADS)

Hao, Yuqing; Duan, Zhisheng

2017-03-01

This paper considers the problem of structured output-feedback controller synthesis with finite frequency specifications. Based on the orthogonal space information of input matrix, an improved parameter-dependent Lyapunov function method is first proposed. Then, a two-stage construction method is designed, which depends on an initial centralised controller. Corresponding design conditions for three types of output-feedback controllers are presented in terms of unified representations. Moreover, heuristic algorithms are provided to explore the desirable controllers. Finally, the effectiveness of these proposed methods is illustrated via some practical examples.

The Use of Exergy and Decomposition Techniques in the Development of Generic Analysis, and Optimization Methodologies Applicable to the Synthesis/Design of Aircraft/Aerospace Systems

DTIC Science & Technology

2006-04-21

C. M., and Prendergast, J. P., 2002, "Thermial Analysis of Hypersonic Inlet Flow with Exergy -Based Design Methods," International Journal of Applied...parametric study of the PS and its components is first presented in order to show the type of detailed information on internal system losses which an exergy ...Thermoeconomic Isolation Applied to the Optimal Synthesis/Design of an Advanced Fighter Aircraft System," International Journal of Thermodynamics, ICAT

Solution-based synthesis and design of late transition metal chalcogenide materials for oxygen reduction reaction (ORR).

PubMed

Gao, Min-Rui; Jiang, Jun; Yu, Shu-Hong

2012-01-09

Late transition metal chalcogenide (LTMC) nanomaterials have been introduced as a promising Pt-free oxygen reduction reaction (ORR) electrocatalysts because of their low cost, good ORR activity, high methanol tolerance, and facile synthesis. Herein, an overview on the design and synthesis of LTMC nanomaterials by solution-based strategies is presented along with their ORR performances. Current solution-based synthetic approaches towards LTMC nanomaterials include a hydrothermal/solvothermal approach, single-source precursor approach, hot-injection approach, template-directed soft synthesis, and Kirkendall-effect-induced soft synthesis. Although the ORR activity and stability of LTMC nanomaterials are still far from what is needed for practical fuel-cell applications, much enhanced electrocatalytic performance can be expected. Recent advances have emphasized that decorating the surface of the LTMC nanostructures with other functional nanoparticles can lead to much better ORR catalytic activity. It is believed that new synthesis approaches to LTMCs, modification techniques of LTMCs, and LTMCs with desirable morphology, size, composition, and structures are expected to be developed in the future to satisfy the requirements of commercial fuel cells. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design and chemical synthesis of iodine-containing molecules for application to solar-pumped I* lasers

NASA Technical Reports Server (NTRS)

Shiner, Christopher S.

1986-01-01

Research is directed toward the design and synthesis of new media for solar-pumped I* lasers. Since the most effective existing lasants are perfluoroalkyl iodides, a strategy was proposed for the development of improved materials of this type with absorption maxima at 300 nm. Absorption spectra were synthesized and measured for prototypical species containing iodine bound to boron, iron, and cobalt.

OPTICON: Pro-Matlab software for large order controlled structure design

NASA Technical Reports Server (NTRS)

Peterson, Lee D.

1989-01-01

A software package for large order controlled structure design is described and demonstrated. The primary program, called OPTICAN, uses both Pro-Matlab M-file routines and selected compiled FORTRAN routines linked into the Pro-Matlab structure. The program accepts structural model information in the form of state-space matrices and performs three basic design functions on the model: (1) open loop analyses; (2) closed loop reduced order controller synthesis; and (3) closed loop stability and performance assessment. The current controller synthesis methods which were implemented in this software are based on the Generalized Linear Quadratic Gaussian theory of Bernstein. In particular, a reduced order Optimal Projection synthesis algorithm based on a homotopy solution method was successfully applied to an experimental truss structure using a 58-state dynamic model. These results are presented and discussed. Current plans to expand the practical size of the design model to several hundred states and the intention to interface Pro-Matlab to a supercomputing environment are discussed.

Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2′ Ligands of Darunavir

PubMed Central

Fyvie, W. Sean; Brindisi, Margherita; Steffey, Melinda; Agniswamy, Johnson; Wang, Yuan-Fang; Aoki, Manabu; Amano, Masayuki; Weber, Irene T.; Mitsuya, Hiroaki

2018-01-01

The structure-based design, synthesis, and biological evaluation of a series of nonpeptidic HIV-1 protease inhibitors with rationally designed P2′ ligands are described. The inhibitors are designed to enhance backbone binding interactions, particularly at the S2′ subsite. Synthesis of inhibitors was carried out efficiently. The stereochemistry of alcohol functionalities of the P2′ ligands was set by asymmetric reduction of the corresponding ketone using (R,R)- or (S,S)-Noyori catalysts. A number of inhibitors displayed very potent enzyme inhibitory and antiviral activity. Inhibitors 3g and 3h showed enzyme Ki values of 27.9 and 49.7 pM and antiviral activity of 6.2 and 3.9 nM, respectively. These inhibitors also remained quite potent against darunavir-resistant HIV-1 variants. An X-ray structure of inhibitor 3g in complex with HIV-1 protease revealed key interactions in the S2′ subsite. PMID:29110408

Numerical simulation of synthesis gas incineration

NASA Astrophysics Data System (ADS)

Kazakov, A. V.; Khaustov, S. A.; Tabakaev, R. B.; Belousova, Y. A.

2016-04-01

The authors have analysed the expediency of the suggested low-grade fuels application method. Thermal processing of solid raw materials in the gaseous fuel, called synthesis gas, is investigated. The technical challenges concerning the applicability of the existing gas equipment developed and extensively tested exclusively for natural gas were considered. For this purpose computer simulation of three-dimensional syngas-incinerating flame dynamics was performed by means of the ANSYS Multiphysics engineering software. The subjects of studying were: a three-dimensional aerodynamic flame structure, heat-release and temperature fields, a set of combustion properties: a flare range and the concentration distribution of burnout reagents. The obtained results were presented in the form of a time-averaged pathlines with color indexing. The obtained results can be used for qualitative and quantitative evaluation of complex multicomponent gas incineration singularities.

Modeling Calculation and Synthesis of Alumina Whiskers Based on the Vapor Deposition Process.

PubMed

Gong, Wei; Li, Xiangcheng; Zhu, Boquan

2017-10-17

This study simulated the bulk structure and surface energy of Al₂O₃ based on the density of states (DOS) and studied the synthesis and microstructure of one-dimensional Al₂O₃ whiskers. The simulation results indicate that the (001) surface has a higher surface energy than the others. The growth mechanism of Al₂O₃ whiskers follows vapor-solid (VS) growth. For the (001) surface with the higher surface energy, the driving force of crystal growth would be more intense in the (001) plane, and the alumina crystal would tend to grow preferentially along the direction of the (001) plane from the tip of the crystal. The Al₂O₃ grows to the shape of whisker with [001] orientation, which is proved both through modeling and experimentation.

A novel computational method to simulate non-enzymatic self-replication. [Abstract only

NASA Technical Reports Server (NTRS)

Navarro-Gonzalez, Rafael; Reggia, James A.; Wu, Jayoung; Chou, Hui-Hsien

1994-01-01

Non-enzymatic, template-directed synthesis of oligonucleotides has been extensively studied in the laboratory as a model to understand the kind of chemical processes that might have contributed to the origin of life on Earth. Several oligonucleotides have been shown to catalyze the synthesis of their complements from activated mononucleotides; however, a restricted number of them have been found to self-replicate. Recently we developed an efficient modified cellular automata method that supports the study of self-replicating oligonucleotides. With this method the oligonucleotide molecules are represented as active cells imbedded in a two-dimensional array of inactive cells symbolizing the environment. Random movements and probability-governed chemical reactions occurring in a cellular space can effectively simulate the experimental behavior observed in self-directed replication of oligonucleotides.

New Features in the Computational Infrastructure for Nuclear Astrophysics

NASA Astrophysics Data System (ADS)

Smith, M. S.; Lingerfelt, E. J.; Scott, J. P.; Hix, W. R.; Nesaraja, C. D.; Koura, H.; Roberts, L. F.

2006-04-01

The Computational Infrastructure for Nuclear Astrophysics is a suite of computer codes online at nucastrodata.org that streamlines the incorporation of recent nuclear physics results into astrophysical simulations. The freely-available, cross- platform suite enables users to upload cross sections and s-factors, convert them into reaction rates, parameterize the rates, store the rates in customizable libraries, setup and run custom post-processing element synthesis calculations, and visualize the results. New features include the ability for users to comment on rates or libraries using an email-type interface, a nuclear mass model evaluator, enhanced techniques for rate parameterization, better treatment of rate inverses, and creation and exporting of custom animations of simulation results. We also have online animations of r- process, rp-process, and neutrino-p process element synthesis occurring in stellar explosions.

Development of a Probabilistic Dynamic Synthesis Method for the Analysis of Nondeterministic Structures

NASA Technical Reports Server (NTRS)

Brown, A. M.

1998-01-01

Accounting for the statistical geometric and material variability of structures in analysis has been a topic of considerable research for the last 30 years. The determination of quantifiable measures of statistical probability of a desired response variable, such as natural frequency, maximum displacement, or stress, to replace experience-based "safety factors" has been a primary goal of these studies. There are, however, several problems associated with their satisfactory application to realistic structures, such as bladed disks in turbomachinery. These include the accurate definition of the input random variables (rv's), the large size of the finite element models frequently used to simulate these structures, which makes even a single deterministic analysis expensive, and accurate generation of the cumulative distribution function (CDF) necessary to obtain the probability of the desired response variables. The research presented here applies a methodology called probabilistic dynamic synthesis (PDS) to solve these problems. The PDS method uses dynamic characteristics of substructures measured from modal test as the input rv's, rather than "primitive" rv's such as material or geometric uncertainties. These dynamic characteristics, which are the free-free eigenvalues, eigenvectors, and residual flexibility (RF), are readily measured and for many substructures, a reasonable sample set of these measurements can be obtained. The statistics for these rv's accurately account for the entire random character of the substructure. Using the RF method of component mode synthesis, these dynamic characteristics are used to generate reduced-size sample models of the substructures, which are then coupled to form system models. These sample models are used to obtain the CDF of the response variable by either applying Monte Carlo simulation or by generating data points for use in the response surface reliability method, which can perform the probabilistic analysis with an order of magnitude less computational effort. Both free- and forced-response analyses have been performed, and the results indicate that, while there is considerable room for improvement, the method produces usable and more representative solutions for the design of realistic structures with a substantial savings in computer time.

Reduced complexity structural modeling for automated airframe synthesis

NASA Technical Reports Server (NTRS)

Hajela, Prabhat

1987-01-01

A procedure is developed for the optimum sizing of wing structures based on representing the built-up finite element assembly of the structure by equivalent beam models. The reduced-order beam models are computationally less demanding in an optimum design environment which dictates repetitive analysis of several trial designs. The design procedure is implemented in a computer program requiring geometry and loading information to create the wing finite element model and its equivalent beam model, and providing a rapid estimate of the optimum weight obtained from a fully stressed design approach applied to the beam. The synthesis procedure is demonstrated for representative conventional-cantilever and joined wing configurations.

Design and implementation of a laboratory-based drug design and synthesis advanced pharmacy practice experience.

PubMed

Philip, Ashok; Stephens, Mark; Mitchell, Sheila L; Watkins, E Blake

2015-04-25

To provide students with an opportunity to participate in medicinal chemistry research within the doctor of pharmacy (PharmD) curriculum. We designed and implemented a 3-course sequence in drug design or drug synthesis for pharmacy students consisting of a 1-month advanced elective followed by two 1-month research advanced pharmacy practice experiences (APPEs). To maximize student involvement, this 3-course sequence was offered to third-year and fourth-year students twice per calendar year. Students were evaluated based on their commitment to the project's success, productivity, and professionalism. Students also evaluated the course sequence using a 14-item course evaluation rubric. Student feedback was overwhelmingly positive. Students found the experience to be a valuable component of their pharmacy curriculum. We successfully designed and implemented a 3-course research sequence that allows PharmD students in the traditional 4-year program to participate in drug design and synthesis research. Students report the sequence enhanced their critical-thinking and problem-solving skills and helped them develop as independent learners. Based on the success achieved with this sequence, efforts are underway to develop research APPEs in other areas of the pharmaceutical sciences.

Spatial sound field synthesis and upmixing based on the equivalent source method.

PubMed

Bai, Mingsian R; Hsu, Hoshen; Wen, Jheng-Ciang

2014-01-01

Given scarce number of recorded signals, spatial sound field synthesis with an extended sweet spot is a challenging problem in acoustic array signal processing. To address the problem, a synthesis and upmixing approach inspired by the equivalent source method (ESM) is proposed. The synthesis procedure is based on the pressure signals recorded by a microphone array and requires no source model. The array geometry can also be arbitrary. Four upmixing strategies are adopted to enhance the resolution of the reproduced sound field when there are more channels of loudspeakers than the microphones. Multi-channel inverse filtering with regularization is exploited to deal with the ill-posedness in the reconstruction process. The distance between the microphone and loudspeaker arrays is optimized to achieve the best synthesis quality. To validate the proposed system, numerical simulations and subjective listening experiments are performed. The results demonstrated that all upmixing methods improved the quality of reproduced target sound field over the original reproduction. In particular, the underdetermined ESM interpolation method yielded the best spatial sound field synthesis in terms of the reproduction error, timbral quality, and spatial quality.

Analysis and Synthesis of Adaptive Neural Elements and Assembles

DTIC Science & Technology

1993-09-30

of an Aplysia sensory neuron was developed that reflects the subcellular processes underlying activity-dependent neuromodulation . This single- Page -3... neuromodulation learning rule could simulate some higher-order features of classical conditioning, such second-order conditioning and blocking. During the...reporting period, simulations were used to test the hypothesis that activity-dependent neuromodulation could also support operant conditioning. A