A parallel simulated annealing algorithm for standard cell placement on a hypercube computer

NASA Technical Reports Server (NTRS)

Jones, Mark Howard

1987-01-01

A parallel version of a simulated annealing algorithm is presented which is targeted to run on a hypercube computer. A strategy for mapping the cells in a two dimensional area of a chip onto processors in an n-dimensional hypercube is proposed such that both small and large distance moves can be applied. Two types of moves are allowed: cell exchanges and cell displacements. The computation of the cost function in parallel among all the processors in the hypercube is described along with a distributed data structure that needs to be stored in the hypercube to support parallel cost evaluation. A novel tree broadcasting strategy is used extensively in the algorithm for updating cell locations in the parallel environment. Studies on the performance of the algorithm on example industrial circuits show that it is faster and gives better final placement results than the uniprocessor simulated annealing algorithms. An improved uniprocessor algorithm is proposed which is based on the improved results obtained from parallelization of the simulated annealing algorithm.

Iterative repair for scheduling and rescheduling

NASA Technical Reports Server (NTRS)

Zweben, Monte; Davis, Eugene; Deale, Michael

1991-01-01

An iterative repair search method is described called constraint based simulated annealing. Simulated annealing is a hill climbing search technique capable of escaping local minima. The utility of the constraint based framework is shown by comparing search performance with and without the constraint framework on a suite of randomly generated problems. Results are also shown of applying the technique to the NASA Space Shuttle ground processing problem. These experiments show that the search methods scales to complex, real world problems and reflects interesting anytime behavior.

Design of continuous surface-relief phase plates by surface-based simulated annealing to achieve control of focal-plane irradiance

NASA Astrophysics Data System (ADS)

Lin, Y.; Kessler, T. J.; Lawrence, G. N.

1996-10-01

High-performance phase plates are of vital concern for controlling the far-field irradiance of laser-fusion systems. Several designs for solving this difficult problem have been reported in Optics Letters [e. g., S. N. Dixit et al., Opt. Lett. 19, 417 (1994)]. We report a surface-based form of simulated annealing that significantly improves the irradiance control while eliminating the high-scatter problems that have plagued other methods.

Modified Backtracking Search Optimization Algorithm Inspired by Simulated Annealing for Constrained Engineering Optimization Problems

PubMed Central

Wang, Hailong; Sun, Yuqiu; Su, Qinghua; Xia, Xuewen

2018-01-01

The backtracking search optimization algorithm (BSA) is a population-based evolutionary algorithm for numerical optimization problems. BSA has a powerful global exploration capacity while its local exploitation capability is relatively poor. This affects the convergence speed of the algorithm. In this paper, we propose a modified BSA inspired by simulated annealing (BSAISA) to overcome the deficiency of BSA. In the BSAISA, the amplitude control factor (F) is modified based on the Metropolis criterion in simulated annealing. The redesigned F could be adaptively decreased as the number of iterations increases and it does not introduce extra parameters. A self-adaptive ε-constrained method is used to handle the strict constraints. We compared the performance of the proposed BSAISA with BSA and other well-known algorithms when solving thirteen constrained benchmarks and five engineering design problems. The simulation results demonstrated that BSAISA is more effective than BSA and more competitive with other well-known algorithms in terms of convergence speed. PMID:29666635

Microstructure based simulations for prediction of flow curves and selection of process parameters for inter-critical annealing in DP steel

NASA Astrophysics Data System (ADS)

Deepu, M. J.; Farivar, H.; Prahl, U.; Phanikumar, G.

2017-04-01

Dual phase steels are versatile advanced high strength steels that are being used for sheet metal applications in automotive industry. It also has the potential for application in bulk components like gear. The inter-critical annealing in dual phase steels is one of the crucial steps that determine the mechanical properties of the material. Selection of the process parameters for inter-critical annealing, in particular, the inter-critical annealing temperature and time is important as it plays a major role in determining the volume fractions of ferrite and martensite, which in turn determines the mechanical properties. Selection of these process parameters to obtain a particular required mechanical property requires large number of experimental trials. Simulation of microstructure evolution and virtual compression/tensile testing can help in reducing the number of such experimental trials. In the present work, phase field modeling implemented in the commercial software Micress® is used to predict the microstructure evolution during inter-critical annealing. Virtual compression tests are performed on the simulated microstructure using finite element method implemented in the commercial software, to obtain the effective flow curve of the macroscopic material. The flow curves obtained by simulation are experimentally validated with physical simulation in Gleeble® and compared with that obtained using linear rule of mixture. The methodology could be used in determining the inter-critical annealing process parameters required for achieving a particular flow curve.

Quantum annealing of the traveling-salesman problem.

PubMed

Martonák, Roman; Santoro, Giuseppe E; Tosatti, Erio

2004-11-01

We propose a path-integral Monte Carlo quantum annealing scheme for the symmetric traveling-salesman problem, based on a highly constrained Ising-like representation, and we compare its performance against standard thermal simulated annealing. The Monte Carlo moves implemented are standard, and consist in restructuring a tour by exchanging two links (two-opt moves). The quantum annealing scheme, even with a drastically simple form of kinetic energy, appears definitely superior to the classical one, when tested on a 1002-city instance of the standard TSPLIB.

Modeling Effects of Annealing on Coal Char Reactivity to O 2 and CO 2 , Based on Preparation Conditions

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

Holland, Troy; Bhat, Sham; Marcy, Peter

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive computational fluid dynamics (CFD) simulations are valuable tools in evaluating and deploying oxyfuel and other carbon capture technologies, either as retrofit technologies or for new construction. However, accurate predictive combustor simulations require physically realistic submodels with low computational requirements. A recent sensitivity analysis of a detailed char conversion model (Char Conversion Kinetics (CCK)) found thermal annealing to be an extremely sensitive submodel. In the present work, further analysis of the previous annealing model revealed significant disagreement with numerous datasets from experiments performed after that annealing model was developed. Themore » annealing model was accordingly extended to reflect experimentally observed reactivity loss, because of the thermal annealing of a variety of coals under diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. In addition, since oxyfuel conditions include extraordinarily high levels of CO 2, the development of a first-ever CO 2 reactivity loss model due to annealing is presented.« less

Modeling Effects of Annealing on Coal Char Reactivity to O 2 and CO 2 , Based on Preparation Conditions

DOE PAGES

Holland, Troy; Bhat, Sham; Marcy, Peter; ...

2017-08-25

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive computational fluid dynamics (CFD) simulations are valuable tools in evaluating and deploying oxyfuel and other carbon capture technologies, either as retrofit technologies or for new construction. However, accurate predictive combustor simulations require physically realistic submodels with low computational requirements. A recent sensitivity analysis of a detailed char conversion model (Char Conversion Kinetics (CCK)) found thermal annealing to be an extremely sensitive submodel. In the present work, further analysis of the previous annealing model revealed significant disagreement with numerous datasets from experiments performed after that annealing model was developed. Themore » annealing model was accordingly extended to reflect experimentally observed reactivity loss, because of the thermal annealing of a variety of coals under diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. In addition, since oxyfuel conditions include extraordinarily high levels of CO 2, the development of a first-ever CO 2 reactivity loss model due to annealing is presented.« less

Design of continuous surface-relief phase plates by surface-based simulated annealing to achieve control of focal-plane irradiance

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

Lin, Y.; Kessler, T.J.; Lawrence, G.N.

1996-10-01

High-performance phase plates are of vital concern for controlling the far-field irradiance of laser-fusion systems. Several designs for solving this difficult problem have been reported in {ital Optics} {ital Letters} [e.g., S. N. Dixit {ital et} {ital al}., Opt. Lett. {bold 19}, 417 (1994)]. We report a surface-based form of simulated annealing that significantly improves the irradiance control while eliminating the high-scatter problems that have plagued other methods. {copyright} {ital 1996 Optical Society of America.}

Hybrid annealing: Coupling a quantum simulator to a classical computer

NASA Astrophysics Data System (ADS)

Graß, Tobias; Lewenstein, Maciej

2017-05-01

Finding the global minimum in a rugged potential landscape is a computationally hard task, often equivalent to relevant optimization problems. Annealing strategies, either classical or quantum, explore the configuration space by evolving the system under the influence of thermal or quantum fluctuations. The thermal annealing dynamics can rapidly freeze the system into a low-energy configuration, and it can be simulated well on a classical computer, but it easily gets stuck in local minima. Quantum annealing, on the other hand, can be guaranteed to find the true ground state and can be implemented in modern quantum simulators; however, quantum adiabatic schemes become prohibitively slow in the presence of quasidegeneracies. Here, we propose a strategy which combines ideas from simulated annealing and quantum annealing. In such a hybrid algorithm, the outcome of a quantum simulator is processed on a classical device. While the quantum simulator explores the configuration space by repeatedly applying quantum fluctuations and performing projective measurements, the classical computer evaluates each configuration and enforces a lowering of the energy. We have simulated this algorithm for small instances of the random energy model, showing that it potentially outperforms both simulated thermal annealing and adiabatic quantum annealing. It becomes most efficient for problems involving many quasidegenerate ground states.

Protein structure refinement using a quantum mechanics-based chemical shielding predictor.

PubMed

Bratholm, Lars A; Jensen, Jan H

2017-03-01

The accurate prediction of protein chemical shifts using a quantum mechanics (QM)-based method has been the subject of intense research for more than 20 years but so far empirical methods for chemical shift prediction have proven more accurate. In this paper we show that a QM-based predictor of a protein backbone and CB chemical shifts (ProCS15, PeerJ , 2016, 3, e1344) is of comparable accuracy to empirical chemical shift predictors after chemical shift-based structural refinement that removes small structural errors. We present a method by which quantum chemistry based predictions of isotropic chemical shielding values (ProCS15) can be used to refine protein structures using Markov Chain Monte Carlo (MCMC) simulations, relating the chemical shielding values to the experimental chemical shifts probabilistically. Two kinds of MCMC structural refinement simulations were performed using force field geometry optimized X-ray structures as starting points: simulated annealing of the starting structure and constant temperature MCMC simulation followed by simulated annealing of a representative ensemble structure. Annealing of the CHARMM structure changes the CA-RMSD by an average of 0.4 Å but lowers the chemical shift RMSD by 1.0 and 0.7 ppm for CA and N. Conformational averaging has a relatively small effect (0.1-0.2 ppm) on the overall agreement with carbon chemical shifts but lowers the error for nitrogen chemical shifts by 0.4 ppm. If an amino acid specific offset is included the ProCS15 predicted chemical shifts have RMSD values relative to experiments that are comparable to popular empirical chemical shift predictors. The annealed representative ensemble structures differ in CA-RMSD relative to the initial structures by an average of 2.0 Å, with >2.0 Å difference for six proteins. In four of the cases, the largest structural differences arise in structurally flexible regions of the protein as determined by NMR, and in the remaining two cases, the large structural change may be due to force field deficiencies. The overall accuracy of the empirical methods are slightly improved by annealing the CHARMM structure with ProCS15, which may suggest that the minor structural changes introduced by ProCS15-based annealing improves the accuracy of the protein structures. Having established that QM-based chemical shift prediction can deliver the same accuracy as empirical shift predictors we hope this can help increase the accuracy of related approaches such as QM/MM or linear scaling approaches or interpreting protein structural dynamics from QM-derived chemical shift.

Composition dependent thermal annealing behaviour of ion tracks in apatite

NASA Astrophysics Data System (ADS)

Nadzri, A.; Schauries, D.; Mota-Santiago, P.; Muradoglu, S.; Trautmann, C.; Gleadow, A. J. W.; Hawley, A.; Kluth, P.

2016-07-01

Natural apatite samples with different F/Cl content from a variety of geological locations (Durango, Mexico; Mud Tank, Australia; and Snarum, Norway) were irradiated with swift heavy ions to simulate fission tracks. The annealing kinetics of the resulting ion tracks was investigated using synchrotron-based small-angle X-ray scattering (SAXS) combined with ex situ annealing. The activation energies for track recrystallization were extracted and consistent with previous studies using track-etching, tracks in the chlorine-rich Snarum apatite are more resistant to annealing than in the other compositions.

Medical image diagnoses by artificial neural networks with image correlation, wavelet transform, simulated annealing

NASA Astrophysics Data System (ADS)

Szu, Harold H.

1993-09-01

Classical artificial neural networks (ANN) and neurocomputing are reviewed for implementing a real time medical image diagnosis. An algorithm known as the self-reference matched filter that emulates the spatio-temporal integration ability of the human visual system might be utilized for multi-frame processing of medical imaging data. A Cauchy machine, implementing a fast simulated annealing schedule, can determine the degree of abnormality by the degree of orthogonality between the patient imagery and the class of features of healthy persons. An automatic inspection process based on multiple modality image sequences is simulated by incorporating the following new developments: (1) 1-D space-filling Peano curves to preserve the 2-D neighborhood pixels' relationship; (2) fast simulated Cauchy annealing for the global optimization of self-feature extraction; and (3) a mini-max energy function for the intra-inter cluster-segregation respectively useful for top-down ANN designs.

Solving Set Cover with Pairs Problem using Quantum Annealing

NASA Astrophysics Data System (ADS)

Cao, Yudong; Jiang, Shuxian; Perouli, Debbie; Kais, Sabre

2016-09-01

Here we consider using quantum annealing to solve Set Cover with Pairs (SCP), an NP-hard combinatorial optimization problem that plays an important role in networking, computational biology, and biochemistry. We show an explicit construction of Ising Hamiltonians whose ground states encode the solution of SCP instances. We numerically simulate the time-dependent Schrödinger equation in order to test the performance of quantum annealing for random instances and compare with that of simulated annealing. We also discuss explicit embedding strategies for realizing our Hamiltonian construction on the D-wave type restricted Ising Hamiltonian based on Chimera graphs. Our embedding on the Chimera graph preserves the structure of the original SCP instance and in particular, the embedding for general complete bipartite graphs and logical disjunctions may be of broader use than that the specific problem we deal with.

EIT image regularization by a new Multi-Objective Simulated Annealing algorithm.

PubMed

Castro Martins, Thiago; Sales Guerra Tsuzuki, Marcos

2015-01-01

Multi-Objective Optimization can be used to produce regularized Electrical Impedance Tomography (EIT) images where the weight of the regularization term is not known a priori. This paper proposes a novel Multi-Objective Optimization algorithm based on Simulated Annealing tailored for EIT image reconstruction. Images are reconstructed from experimental data and compared with images from other Multi and Single Objective optimization methods. A significant performance enhancement from traditional techniques can be inferred from the results.

Image-Based Airborne Sensors: A Combined Approach for Spectral Signatures Classification through Deterministic Simulated Annealing

PubMed Central

Guijarro, María; Pajares, Gonzalo; Herrera, P. Javier

2009-01-01

The increasing technology of high-resolution image airborne sensors, including those on board Unmanned Aerial Vehicles, demands automatic solutions for processing, either on-line or off-line, the huge amountds of image data sensed during the flights. The classification of natural spectral signatures in images is one potential application. The actual tendency in classification is oriented towards the combination of simple classifiers. In this paper we propose a combined strategy based on the Deterministic Simulated Annealing (DSA) framework. The simple classifiers used are the well tested supervised parametric Bayesian estimator and the Fuzzy Clustering. The DSA is an optimization approach, which minimizes an energy function. The main contribution of DSA is its ability to avoid local minima during the optimization process thanks to the annealing scheme. It outperforms simple classifiers used for the combination and some combined strategies, including a scheme based on the fuzzy cognitive maps and an optimization approach based on the Hopfield neural network paradigm. PMID:22399989

An adaptive approach to the physical annealing strategy for simulated annealing

NASA Astrophysics Data System (ADS)

Hasegawa, M.

2013-02-01

A new and reasonable method for adaptive implementation of simulated annealing (SA) is studied on two types of random traveling salesman problems. The idea is based on the previous finding on the search characteristics of the threshold algorithms, that is, the primary role of the relaxation dynamics in their finite-time optimization process. It is shown that the effective temperature for optimization can be predicted from the system's behavior analogous to the stabilization phenomenon occurring in the heating process starting from a quenched solution. The subsequent slow cooling near the predicted point draws out the inherent optimizing ability of finite-time SA in more straightforward manner than the conventional adaptive approach.

Analysis of optimisation method for a two-stroke piston ring using the Finite Element Method and the Simulated Annealing Method

NASA Astrophysics Data System (ADS)

Kaliszewski, M.; Mazuro, P.

2016-09-01

Simulated Annealing Method of optimisation for the sealing piston ring geometry is tested. The aim of optimisation is to develop ring geometry which would exert demanded pressure on a cylinder just while being bended to fit the cylinder. Method of FEM analysis of an arbitrary piston ring geometry is applied in an ANSYS software. The demanded pressure function (basing on formulae presented by A. Iskra) as well as objective function are introduced. Geometry definition constructed by polynomials in radial coordinate system is delivered and discussed. Possible application of Simulated Annealing Method in a piston ring optimisation task is proposed and visualised. Difficulties leading to possible lack of convergence of optimisation are presented. An example of an unsuccessful optimisation performed in APDL is discussed. Possible line of further optimisation improvement is proposed.

Simulated annealing in orbital flight planning

NASA Technical Reports Server (NTRS)

Soller, Jeffrey

1990-01-01

Simulated annealing is used to solve a minimum fuel trajectory problem in the space station environment. The environment is unique because the space station will define the first true multivehicle environment in space. The optimization yields surfaces which are potentially complex, with multiple local minima. Because of the likelihood of these local minima, descent techniques are unable to offer robust solutions. Other deterministic optimization techniques were explored without success. The simulated annealing optimization is capable of identifying a minimum-fuel, two-burn trajectory subject to four constraints. Furthermore, the computational efforts involved in the optimization are such that missions could be planned on board the space station. Potential applications could include the on-site planning of rendezvous with a target craft of the emergency rescue of an astronaut. Future research will include multiwaypoint maneuvers, using a knowledge base to guide the optimization.

A Simulated Annealing Algorithm for the Optimization of Multistage Depressed Collector Efficiency

NASA Technical Reports Server (NTRS)

Vaden, Karl R.; Wilson, Jeffrey D.; Bulson, Brian A.

2002-01-01

The microwave traveling wave tube amplifier (TWTA) is widely used as a high-power transmitting source for space and airborne communications. One critical factor in designing a TWTA is the overall efficiency. However, overall efficiency is highly dependent upon collector efficiency; so collector design is critical to the performance of a TWTA. Therefore, NASA Glenn Research Center has developed an optimization algorithm based on Simulated Annealing to quickly design highly efficient multi-stage depressed collectors (MDC).

Minimizing distortion and internal forces in truss structures by simulated annealing

NASA Technical Reports Server (NTRS)

Kincaid, Rex K.; Padula, Sharon L.

1990-01-01

Inaccuracies in the length of members and the diameters of joints of large space structures may produce unacceptable levels of surface distortion and internal forces. Here, two discrete optimization problems are formulated, one to minimize surface distortion (DSQRMS) and the other to minimize internal forces (FSQRMS). Both of these problems are based on the influence matrices generated by a small-deformation linear analysis. Good solutions are obtained for DSQRMS and FSQRMS through the use of a simulated annealing heuristic.

Protein structure refinement using a quantum mechanics-based chemical shielding predictor† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04344e Click here for additional data file.

PubMed Central

2017-01-01

The accurate prediction of protein chemical shifts using a quantum mechanics (QM)-based method has been the subject of intense research for more than 20 years but so far empirical methods for chemical shift prediction have proven more accurate. In this paper we show that a QM-based predictor of a protein backbone and CB chemical shifts (ProCS15, PeerJ, 2016, 3, e1344) is of comparable accuracy to empirical chemical shift predictors after chemical shift-based structural refinement that removes small structural errors. We present a method by which quantum chemistry based predictions of isotropic chemical shielding values (ProCS15) can be used to refine protein structures using Markov Chain Monte Carlo (MCMC) simulations, relating the chemical shielding values to the experimental chemical shifts probabilistically. Two kinds of MCMC structural refinement simulations were performed using force field geometry optimized X-ray structures as starting points: simulated annealing of the starting structure and constant temperature MCMC simulation followed by simulated annealing of a representative ensemble structure. Annealing of the CHARMM structure changes the CA-RMSD by an average of 0.4 Å but lowers the chemical shift RMSD by 1.0 and 0.7 ppm for CA and N. Conformational averaging has a relatively small effect (0.1–0.2 ppm) on the overall agreement with carbon chemical shifts but lowers the error for nitrogen chemical shifts by 0.4 ppm. If an amino acid specific offset is included the ProCS15 predicted chemical shifts have RMSD values relative to experiments that are comparable to popular empirical chemical shift predictors. The annealed representative ensemble structures differ in CA-RMSD relative to the initial structures by an average of 2.0 Å, with >2.0 Å difference for six proteins. In four of the cases, the largest structural differences arise in structurally flexible regions of the protein as determined by NMR, and in the remaining two cases, the large structural change may be due to force field deficiencies. The overall accuracy of the empirical methods are slightly improved by annealing the CHARMM structure with ProCS15, which may suggest that the minor structural changes introduced by ProCS15-based annealing improves the accuracy of the protein structures. Having established that QM-based chemical shift prediction can deliver the same accuracy as empirical shift predictors we hope this can help increase the accuracy of related approaches such as QM/MM or linear scaling approaches or interpreting protein structural dynamics from QM-derived chemical shift. PMID:28451325

Enhanced intelligent water drops algorithm for multi-depot vehicle routing problem

PubMed Central

Akutsah, Francis; Olusanya, Micheal O.; Adewumi, Aderemi O.

2018-01-01

The intelligent water drop algorithm is a swarm-based metaheuristic algorithm, inspired by the characteristics of water drops in the river and the environmental changes resulting from the action of the flowing river. Since its appearance as an alternative stochastic optimization method, the algorithm has found applications in solving a wide range of combinatorial and functional optimization problems. This paper presents an improved intelligent water drop algorithm for solving multi-depot vehicle routing problems. A simulated annealing algorithm was introduced into the proposed algorithm as a local search metaheuristic to prevent the intelligent water drop algorithm from getting trapped into local minima and also improve its solution quality. In addition, some of the potential problematic issues associated with using simulated annealing that include high computational runtime and exponential calculation of the probability of acceptance criteria, are investigated. The exponential calculation of the probability of acceptance criteria for the simulated annealing based techniques is computationally expensive. Therefore, in order to maximize the performance of the intelligent water drop algorithm using simulated annealing, a better way of calculating the probability of acceptance criteria is considered. The performance of the proposed hybrid algorithm is evaluated by using 33 standard test problems, with the results obtained compared with the solutions offered by four well-known techniques from the subject literature. Experimental results and statistical tests show that the new method possesses outstanding performance in terms of solution quality and runtime consumed. In addition, the proposed algorithm is suitable for solving large-scale problems. PMID:29554662

Enhanced intelligent water drops algorithm for multi-depot vehicle routing problem.

PubMed

Ezugwu, Absalom E; Akutsah, Francis; Olusanya, Micheal O; Adewumi, Aderemi O

2018-01-01

The intelligent water drop algorithm is a swarm-based metaheuristic algorithm, inspired by the characteristics of water drops in the river and the environmental changes resulting from the action of the flowing river. Since its appearance as an alternative stochastic optimization method, the algorithm has found applications in solving a wide range of combinatorial and functional optimization problems. This paper presents an improved intelligent water drop algorithm for solving multi-depot vehicle routing problems. A simulated annealing algorithm was introduced into the proposed algorithm as a local search metaheuristic to prevent the intelligent water drop algorithm from getting trapped into local minima and also improve its solution quality. In addition, some of the potential problematic issues associated with using simulated annealing that include high computational runtime and exponential calculation of the probability of acceptance criteria, are investigated. The exponential calculation of the probability of acceptance criteria for the simulated annealing based techniques is computationally expensive. Therefore, in order to maximize the performance of the intelligent water drop algorithm using simulated annealing, a better way of calculating the probability of acceptance criteria is considered. The performance of the proposed hybrid algorithm is evaluated by using 33 standard test problems, with the results obtained compared with the solutions offered by four well-known techniques from the subject literature. Experimental results and statistical tests show that the new method possesses outstanding performance in terms of solution quality and runtime consumed. In addition, the proposed algorithm is suitable for solving large-scale problems.

Simulated Stochastic Approximation Annealing for Global Optimization with a Square-Root Cooling Schedule

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

Liang, Faming; Cheng, Yichen; Lin, Guang

2014-06-13

Simulated annealing has been widely used in the solution of optimization problems. As known by many researchers, the global optima cannot be guaranteed to be located by simulated annealing unless a logarithmic cooling schedule is used. However, the logarithmic cooling schedule is so slow that no one can afford to have such a long CPU time. This paper proposes a new stochastic optimization algorithm, the so-called simulated stochastic approximation annealing algorithm, which is a combination of simulated annealing and the stochastic approximation Monte Carlo algorithm. Under the framework of stochastic approximation Markov chain Monte Carlo, it is shown that themore » new algorithm can work with a cooling schedule in which the temperature can decrease much faster than in the logarithmic cooling schedule, e.g., a square-root cooling schedule, while guaranteeing the global optima to be reached when the temperature tends to zero. The new algorithm has been tested on a few benchmark optimization problems, including feed-forward neural network training and protein-folding. The numerical results indicate that the new algorithm can significantly outperform simulated annealing and other competitors.« less

Stochastic Simulation of Actin Dynamics Reveals the Role of Annealing and Fragmentation

PubMed Central

Fass, Joseph; Pak, Chi; Bamburg, James; Mogilner, Alex

2008-01-01

Recent observations of F-actin dynamics call for theoretical models to interpret and understand the quantitative data. A number of existing models rely on simplifications and do not take into account F-actin fragmentation and annealing. We use Gillespie’s algorithm for stochastic simulations of the F-actin dynamics including fragmentation and annealing. The simulations vividly illustrate that fragmentation and annealing have little influence on the shape of the polymerization curve and on nucleotide profiles within filaments but drastically affect the F-actin length distribution, making it exponential. We find that recent surprising measurements of high length diffusivity at the critical concentration cannot be explained by fragmentation and annealing events unless both fragmentation rates and frequency of undetected fragmentation and annealing events are greater than previously thought. The simulations compare well with experimentally measured actin polymerization data and lend additional support to a number of existing theoretical models. PMID:18279896

Simulated Annealing-based Optimal Proportional-Integral-Derivative (PID) Controller Design: A Case Study on Nonlinear Quadcopter Dynamics

NASA Astrophysics Data System (ADS)

Nemirsky, Kristofer Kevin

In this thesis, the history and evolution of rotor aircraft with simulated annealing-based PID application were reviewed and quadcopter dynamics are presented. The dynamics of a quadcopter were then modeled, analyzed, and linearized. A cascaded loop architecture with PID controllers was used to stabilize the plant dynamics, which was improved upon through the application of simulated annealing (SA). A Simulink model was developed to test the controllers and verify the functionality of the proposed control system design. In addition, the data that the Simulink model provided were compared with flight data to present the validity of derived dynamics as a proper mathematical model representing the true dynamics of the quadcopter system. Then, the SA-based global optimization procedure was applied to obtain optimized PID parameters. It was observed that the tuned gains through the SA algorithm produced a better performing PID controller than the original manually tuned one. Next, we investigated the uncertain dynamics of the quadcopter setup. After adding uncertainty to the gyroscopic effects associated with pitch-and-roll rate dynamics, the controllers were shown to be robust against the added uncertainty. A discussion follows to summarize SA-based algorithm PID controller design and performance outcomes. Lastly, future work on SA application on multi-input-multi-output (MIMO) systems is briefly discussed.

Microstructure engineering of Pt-Al alloy thin films through Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Harris, R. A.; Terblans, J. J.; Swart, H. C.

2014-06-01

A kinetic algorithm, based on the regular solution model, was used in conjunction with the Monte Carlo method to simulate the evolution of a micro-scaled thin film system during exposure to a high temperature environment. Pt-Al thin films were prepared via electron beam physical vapor deposition (EB-PVD) with an atomic concentration ratio of Pt63:Al37. These films were heat treated at an annealing temperature of 400 °C for 16 and 49 minutes. Scanning Auger Microscopy (SAM) (PHI 700) was used to obtain elemental maps while sputtering through the thin films. Simulations were run for the same annealing temperatures and thin-film composition. From these simulations theoretical depth profiles and simulated microstructures were obtained. These were compared to the experimentally measured depth profiles and elemental maps.

Rapid shear alignment of sub-10 nm cylinder-forming block copolymer films based on thermal expansion mismatch

NASA Astrophysics Data System (ADS)

Nicaise, Samuel M.; Gadelrab, Karim R.; G, Amir Tavakkoli K.; Ross, Caroline A.; Alexander-Katz, Alfredo; Berggren, Karl K.

2018-01-01

Directed self-assembly of block copolymers (BCPs) provided by shear-stress can produce aligned sub-10 nm structures over large areas for applications in integrated circuits, next-generation data storage, and plasmonic structures. In this work, we present a fast, versatile BCP shear-alignment process based on coefficient of thermal expansion mismatch of the BCP film, a rigid top coat and a substrate. Monolayer and bilayer cylindrical microdomains of poly(styrene-b-dimethylsiloxane) aligned preferentially in-plane and orthogonal to naturally-forming or engineered cracks in the top coat film, allowing for orientation control over 1 cm2 substrates. Annealing temperatures, up to 275 °C, provided low-defect alignment up to 2 mm away from cracks for rapid (<1 min) annealing times. Finite-element simulations of the stress as a function of annealing time, annealing temperature, and distance from cracks showed that shear stress during the cooling phase of the thermal annealing was critical for the observed microdomain alignment.

Thermal decomposition of solid phase nitromethane under various heating rates and target temperatures based on ab initio molecular dynamics simulations.

PubMed

Xu, Kai; Wei, Dong-Qing; Chen, Xiang-Rong; Ji, Guang-Fu

2014-10-01

The Car-Parrinello molecular dynamics simulation was applied to study the thermal decomposition of solid phase nitromethane under gradual heating and fast annealing conditions. In gradual heating simulations, we found that, rather than C-N bond cleavage, intermolecular proton transfer is more likely to be the first reaction in the decomposition process. At high temperature, the first reaction in fast annealing simulation is intermolecular proton transfer leading to CH3NOOH and CH2NO2, whereas the initial chemical event at low temperature tends to be a unimolecular C-N bond cleavage, producing CH3 and NO2 fragments. It is the first time to date that the direct rupture of a C-N bond has been reported as the first reaction in solid phase nitromethane. In addition, the fast annealing simulations on a supercell at different temperatures are conducted to validate the effect of simulation cell size on initial reaction mechanisms. The results are in qualitative agreement with the simulations on a unit cell. By analyzing the time evolution of some molecules, we also found that the time of first water molecule formation is clearly sensitive to heating rates and target temperatures when the first reaction is an intermolecular proton transfer.

Advances in Integrated Computational Materials Engineering "ICME"

NASA Astrophysics Data System (ADS)

Hirsch, Jürgen

The methods of Integrated Computational Materials Engineering that were developed and successfully applied for Aluminium have been constantly improved. The main aspects and recent advances of integrated material and process modeling are simulations of material properties like strength and forming properties and for the specific microstructure evolution during processing (rolling, extrusion, annealing) under the influence of material constitution and process variations through the production process down to the final application. Examples are discussed for the through-process simulation of microstructures and related properties of Aluminium sheet, including DC ingot casting, pre-heating and homogenization, hot and cold rolling, final annealing. New results are included of simulation solution annealing and age hardening of 6xxx alloys for automotive applications. Physically based quantitative descriptions and computer assisted evaluation methods are new ICME methods of integrating new simulation tools also for customer applications, like heat affected zones in welding of age hardening alloys. The aspects of estimating the effect of specific elements due to growing recycling volumes requested also for high end Aluminium products are also discussed, being of special interest in the Aluminium producing industries.

Differential evolution-simulated annealing for multiple sequence alignment

NASA Astrophysics Data System (ADS)

Addawe, R. C.; Addawe, J. M.; Sueño, M. R. K.; Magadia, J. C.

2017-10-01

Multiple sequence alignments (MSA) are used in the analysis of molecular evolution and sequence structure relationships. In this paper, a hybrid algorithm, Differential Evolution - Simulated Annealing (DESA) is applied in optimizing multiple sequence alignments (MSAs) based on structural information, non-gaps percentage and totally conserved columns. DESA is a robust algorithm characterized by self-organization, mutation, crossover, and SA-like selection scheme of the strategy parameters. Here, the MSA problem is treated as a multi-objective optimization problem of the hybrid evolutionary algorithm, DESA. Thus, we name the algorithm as DESA-MSA. Simulated sequences and alignments were generated to evaluate the accuracy and efficiency of DESA-MSA using different indel sizes, sequence lengths, deletion rates and insertion rates. The proposed hybrid algorithm obtained acceptable solutions particularly for the MSA problem evaluated based on the three objectives.

Self-assembly of single-wall carbon nanotubes during the cooling process of hot carbon gas.

PubMed

Wen, Yushi; Zheng, Ke; Long, Xinping; Li, Ming; Xue, Xianggui; Dai, Xiaogan; Deng, Chuan

2018-04-25

In this work, self-assembly mechanism of single-wall carbon nanotube (SWCNT) during the annealing process of hot gaseous carbon is presented using reactive force field (ReaxFF)-based reactive molecular simulations. A series of simulations were performed on the evolution of reactive carbon gas. The simulation results show that the reactive carbon gas can be assembled into regular SWCNT without a catalyst. Five distinct stages of SWCNT self-assembly are proposed. For some initial configurations, the CNT was found to spin at an ultra-high rate after the nucleation. Graphical abstract Self-assembly process of single-wall carbon nanotube from the annealing of hot gaseous carbon.

Forecasting Nonlinear Chaotic Time Series with Function Expression Method Based on an Improved Genetic-Simulated Annealing Algorithm

PubMed Central

Wang, Jun; Zhou, Bi-hua; Zhou, Shu-dao; Sheng, Zheng

2015-01-01

The paper proposes a novel function expression method to forecast chaotic time series, using an improved genetic-simulated annealing (IGSA) algorithm to establish the optimum function expression that describes the behavior of time series. In order to deal with the weakness associated with the genetic algorithm, the proposed algorithm incorporates the simulated annealing operation which has the strong local search ability into the genetic algorithm to enhance the performance of optimization; besides, the fitness function and genetic operators are also improved. Finally, the method is applied to the chaotic time series of Quadratic and Rossler maps for validation. The effect of noise in the chaotic time series is also studied numerically. The numerical results verify that the method can forecast chaotic time series with high precision and effectiveness, and the forecasting precision with certain noise is also satisfactory. It can be concluded that the IGSA algorithm is energy-efficient and superior. PMID:26000011

Vehicle routing problem with time windows using natural inspired algorithms

NASA Astrophysics Data System (ADS)

Pratiwi, A. B.; Pratama, A.; Sa’diyah, I.; Suprajitno, H.

2018-03-01

Process of distribution of goods needs a strategy to make the total cost spent for operational activities minimized. But there are several constrains have to be satisfied which are the capacity of the vehicles and the service time of the customers. This Vehicle Routing Problem with Time Windows (VRPTW) gives complex constrains problem. This paper proposes natural inspired algorithms for dealing with constrains of VRPTW which involves Bat Algorithm and Cat Swarm Optimization. Bat Algorithm is being hybrid with Simulated Annealing, the worst solution of Bat Algorithm is replaced by the solution from Simulated Annealing. Algorithm which is based on behavior of cats, Cat Swarm Optimization, is improved using Crow Search Algorithm to make simplier and faster convergence. From the computational result, these algorithms give good performances in finding the minimized total distance. Higher number of population causes better computational performance. The improved Cat Swarm Optimization with Crow Search gives better performance than the hybridization of Bat Algorithm and Simulated Annealing in dealing with big data.

Forecasting nonlinear chaotic time series with function expression method based on an improved genetic-simulated annealing algorithm.

PubMed

Wang, Jun; Zhou, Bi-hua; Zhou, Shu-dao; Sheng, Zheng

2015-01-01

The paper proposes a novel function expression method to forecast chaotic time series, using an improved genetic-simulated annealing (IGSA) algorithm to establish the optimum function expression that describes the behavior of time series. In order to deal with the weakness associated with the genetic algorithm, the proposed algorithm incorporates the simulated annealing operation which has the strong local search ability into the genetic algorithm to enhance the performance of optimization; besides, the fitness function and genetic operators are also improved. Finally, the method is applied to the chaotic time series of Quadratic and Rossler maps for validation. The effect of noise in the chaotic time series is also studied numerically. The numerical results verify that the method can forecast chaotic time series with high precision and effectiveness, and the forecasting precision with certain noise is also satisfactory. It can be concluded that the IGSA algorithm is energy-efficient and superior.

Displacement cascades and defect annealing in tungsten, Part II: Object kinetic Monte Carlo Simulation of Tungsten Cascade Aging

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

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2015-07-01

The results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obtained from molecular dynamics (Setyawan et al.) are described as a function of primary knock-on atom (PKA) energy at temperatures of 300, 1025 and 2050 K. An increase in SIA clustering coupled with a decrease in vacancy clustering with increasing temperature, in addition to the disparate mobilities of SIAs versus vacancies, causes an interesting effect of temperature on cascade annealing. The annealing efficiency (the ratio of the number of defects after and before annealing) exhibitsmore » an inverse U-shape curve as a function of temperature. The capabilities of the newly developed OKMC code KSOME (kinetic simulations of microstructure evolution) used to carry out these simulations are described.« less

A noisy chaotic neural network for solving combinatorial optimization problems: stochastic chaotic simulated annealing.

PubMed

Wang, Lipo; Li, Sa; Tian, Fuyu; Fu, Xiuju

2004-10-01

Recently Chen and Aihara have demonstrated both experimentally and mathematically that their chaotic simulated annealing (CSA) has better search ability for solving combinatorial optimization problems compared to both the Hopfield-Tank approach and stochastic simulated annealing (SSA). However, CSA may not find a globally optimal solution no matter how slowly annealing is carried out, because the chaotic dynamics are completely deterministic. In contrast, SSA tends to settle down to a global optimum if the temperature is reduced sufficiently slowly. Here we combine the best features of both SSA and CSA, thereby proposing a new approach for solving optimization problems, i.e., stochastic chaotic simulated annealing, by using a noisy chaotic neural network. We show the effectiveness of this new approach with two difficult combinatorial optimization problems, i.e., a traveling salesman problem and a channel assignment problem for cellular mobile communications.

Population Annealing Monte Carlo for Frustrated Systems

NASA Astrophysics Data System (ADS)

Amey, Christopher; Machta, Jonathan

Population annealing is a sequential Monte Carlo algorithm that efficiently simulates equilibrium systems with rough free energy landscapes such as spin glasses and glassy fluids. A large population of configurations is initially thermalized at high temperature and then cooled to low temperature according to an annealing schedule. The population is kept in thermal equilibrium at every annealing step via resampling configurations according to their Boltzmann weights. Population annealing is comparable to parallel tempering in terms of efficiency, but has several distinct and useful features. In this talk I will give an introduction to population annealing and present recent progress in understanding its equilibration properties and optimizing it for spin glasses. Results from large-scale population annealing simulations for the Ising spin glass in 3D and 4D will be presented. NSF Grant DMR-1507506.

Self-Tuning of Design Variables for Generalized Predictive Control

NASA Technical Reports Server (NTRS)

Lin, Chaung; Juang, Jer-Nan

2000-01-01

Three techniques are introduced to determine the order and control weighting for the design of a generalized predictive controller. These techniques are based on the application of fuzzy logic, genetic algorithms, and simulated annealing to conduct an optimal search on specific performance indexes or objective functions. Fuzzy logic is found to be feasible for real-time and on-line implementation due to its smooth and quick convergence. On the other hand, genetic algorithms and simulated annealing are applicable for initial estimation of the model order and control weighting, and final fine-tuning within a small region of the solution space, Several numerical simulations for a multiple-input and multiple-output system are given to illustrate the techniques developed in this paper.

A trajectory planning scheme for spacecraft in the space station environment. M.S. Thesis - University of California

NASA Technical Reports Server (NTRS)

Soller, Jeffrey Alan; Grunwald, Arthur J.; Ellis, Stephen R.

1991-01-01

Simulated annealing is used to solve a minimum fuel trajectory problem in the space station environment. The environment is special because the space station will define a multivehicle environment in space. The optimization surface is a complex nonlinear function of the initial conditions of the chase and target crafts. Small permutations in the input conditions can result in abrupt changes to the optimization surface. Since no prior knowledge about the number or location of local minima on the surface is available, the optimization must be capable of functioning on a multimodal surface. It was reported in the literature that the simulated annealing algorithm is more effective on such surfaces than descent techniques using random starting points. The simulated annealing optimization was found to be capable of identifying a minimum fuel, two-burn trajectory subject to four constraints which are integrated into the optimization using a barrier method. The computations required to solve the optimization are fast enough that missions could be planned on board the space station. Potential applications for on board planning of missions are numerous. Future research topics may include optimal planning of multi-waypoint maneuvers using a knowledge base to guide the optimization, and a study aimed at developing robust annealing schedules for potential on board missions.

Stochastic search in structural optimization - Genetic algorithms and simulated annealing

NASA Technical Reports Server (NTRS)

Hajela, Prabhat

1993-01-01

An account is given of illustrative applications of genetic algorithms and simulated annealing methods in structural optimization. The advantages of such stochastic search methods over traditional mathematical programming strategies are emphasized; it is noted that these methods offer a significantly higher probability of locating the global optimum in a multimodal design space. Both genetic-search and simulated annealing can be effectively used in problems with a mix of continuous, discrete, and integer design variables.

Population annealing simulations of a binary hard-sphere mixture

NASA Astrophysics Data System (ADS)

Callaham, Jared; Machta, Jonathan

2017-06-01

Population annealing is a sequential Monte Carlo scheme well suited to simulating equilibrium states of systems with rough free energy landscapes. Here we use population annealing to study a binary mixture of hard spheres. Population annealing is a parallel version of simulated annealing with an extra resampling step that ensures that a population of replicas of the system represents the equilibrium ensemble at every packing fraction in an annealing schedule. The algorithm and its equilibration properties are described, and results are presented for a glass-forming fluid composed of a 50/50 mixture of hard spheres with diameter ratio of 1.4:1. For this system, we obtain precise results for the equation of state in the glassy regime up to packing fractions φ ≈0.60 and study deviations from the Boublik-Mansoori-Carnahan-Starling-Leland equation of state. For higher packing fractions, the algorithm falls out of equilibrium and a free volume fit predicts jamming at packing fraction φ ≈0.667 . We conclude that population annealing is an effective tool for studying equilibrium glassy fluids and the jamming transition.

Memoryless cooperative graph search based on the simulated annealing algorithm

NASA Astrophysics Data System (ADS)

Hou, Jian; Yan, Gang-Feng; Fan, Zhen

2011-04-01

We have studied the problem of reaching a globally optimal segment for a graph-like environment with a single or a group of autonomous mobile agents. Firstly, two efficient simulated-annealing-like algorithms are given for a single agent to solve the problem in a partially known environment and an unknown environment, respectively. It shows that under both proposed control strategies, the agent will eventually converge to a globally optimal segment with probability 1. Secondly, we use multi-agent searching to simultaneously reduce the computation complexity and accelerate convergence based on the algorithms we have given for a single agent. By exploiting graph partition, a gossip-consensus method based scheme is presented to update the key parameter—radius of the graph, ensuring that the agents spend much less time finding a globally optimal segment.

Simulated Annealing Based Hybrid Forecast for Improving Daily Municipal Solid Waste Generation Prediction

PubMed Central

Song, Jingwei; He, Jiaying; Zhu, Menghua; Tan, Debao; Zhang, Yu; Ye, Song; Shen, Dingtao; Zou, Pengfei

2014-01-01

A simulated annealing (SA) based variable weighted forecast model is proposed to combine and weigh local chaotic model, artificial neural network (ANN), and partial least square support vector machine (PLS-SVM) to build a more accurate forecast model. The hybrid model was built and multistep ahead prediction ability was tested based on daily MSW generation data from Seattle, Washington, the United States. The hybrid forecast model was proved to produce more accurate and reliable results and to degrade less in longer predictions than three individual models. The average one-week step ahead prediction has been raised from 11.21% (chaotic model), 12.93% (ANN), and 12.94% (PLS-SVM) to 9.38%. Five-week average has been raised from 13.02% (chaotic model), 15.69% (ANN), and 15.92% (PLS-SVM) to 11.27%. PMID:25301508

Robust quantum optimizer with full connectivity.

PubMed

Nigg, Simon E; Lörch, Niels; Tiwari, Rakesh P

2017-04-01

Quantum phenomena have the potential to speed up the solution of hard optimization problems. For example, quantum annealing, based on the quantum tunneling effect, has recently been shown to scale exponentially better with system size than classical simulated annealing. However, current realizations of quantum annealers with superconducting qubits face two major challenges. First, the connectivity between the qubits is limited, excluding many optimization problems from a direct implementation. Second, decoherence degrades the success probability of the optimization. We address both of these shortcomings and propose an architecture in which the qubits are robustly encoded in continuous variable degrees of freedom. By leveraging the phenomenon of flux quantization, all-to-all connectivity with sufficient tunability to implement many relevant optimization problems is obtained without overhead. Furthermore, we demonstrate the robustness of this architecture by simulating the optimal solution of a small instance of the nondeterministic polynomial-time hard (NP-hard) and fully connected number partitioning problem in the presence of dissipation.

On simulated annealing phase transitions in phylogeny reconstruction.

PubMed

Strobl, Maximilian A R; Barker, Daniel

2016-08-01

Phylogeny reconstruction with global criteria is NP-complete or NP-hard, hence in general requires a heuristic search. We investigate the powerful, physically inspired, general-purpose heuristic simulated annealing, applied to phylogeny reconstruction. Simulated annealing mimics the physical process of annealing, where a liquid is gently cooled to form a crystal. During the search, periods of elevated specific heat occur, analogous to physical phase transitions. These simulated annealing phase transitions play a crucial role in the outcome of the search. Nevertheless, they have received comparably little attention, for phylogeny or other optimisation problems. We analyse simulated annealing phase transitions during searches for the optimal phylogenetic tree for 34 real-world multiple alignments. In the same way in which melting temperatures differ between materials, we observe distinct specific heat profiles for each input file. We propose this reflects differences in the search landscape and can serve as a measure for problem difficulty and for suitability of the algorithm's parameters. We discuss application in algorithmic optimisation and as a diagnostic to assess parameterisation before computationally costly, large phylogeny reconstructions are launched. Whilst the focus here lies on phylogeny reconstruction under maximum parsimony, it is plausible that our results are more widely applicable to optimisation procedures in science and industry. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Experiences with serial and parallel algorithms for channel routing using simulated annealing

NASA Technical Reports Server (NTRS)

Brouwer, Randall Jay

1988-01-01

Two algorithms for channel routing using simulated annealing are presented. Simulated annealing is an optimization methodology which allows the solution process to back up out of local minima that may be encountered by inappropriate selections. By properly controlling the annealing process, it is very likely that the optimal solution to an NP-complete problem such as channel routing may be found. The algorithm presented proposes very relaxed restrictions on the types of allowable transformations, including overlapping nets. By freeing that restriction and controlling overlap situations with an appropriate cost function, the algorithm becomes very flexible and can be applied to many extensions of channel routing. The selection of the transformation utilizes a number of heuristics, still retaining the pseudorandom nature of simulated annealing. The algorithm was implemented as a serial program for a workstation, and a parallel program designed for a hypercube computer. The details of the serial implementation are presented, including many of the heuristics used and some of the resulting solutions.

Image reconstruction through thin scattering media by simulated annealing algorithm

NASA Astrophysics Data System (ADS)

Fang, Longjie; Zuo, Haoyi; Pang, Lin; Yang, Zuogang; Zhang, Xicheng; Zhu, Jianhua

2018-07-01

An idea for reconstructing the image of an object behind thin scattering media is proposed by phase modulation. The optimized phase mask is achieved by modulating the scattered light using simulated annealing algorithm. The correlation coefficient is exploited as a fitness function to evaluate the quality of reconstructed image. The reconstructed images optimized from simulated annealing algorithm and genetic algorithm are compared in detail. The experimental results show that our proposed method has better definition and higher speed than genetic algorithm.

A self-organizing neural network for the traveling salesman problem that is competitive with simulated annealing.

PubMed

Budinich, M

1996-02-15

Unsupervised learning applied to an unstructured neural network can give approximate solutions to the traveling salesman problem. For 50 cities in the plane this algorithm performs like the elastic net of Durbin and Willshaw (1987) and it improves when increasing the number of cities to get better than simulated annealing for problems with more than 500 cities. In all the tests this algorithm requires a fraction of the time taken by simulated annealing.

Optimization for high-dose-rate brachytherapy of cervical cancer with adaptive simulated annealing and gradient descent.

PubMed

Yao, Rui; Templeton, Alistair K; Liao, Yixiang; Turian, Julius V; Kiel, Krystyna D; Chu, James C H

2014-01-01

To validate an in-house optimization program that uses adaptive simulated annealing (ASA) and gradient descent (GD) algorithms and investigate features of physical dose and generalized equivalent uniform dose (gEUD)-based objective functions in high-dose-rate (HDR) brachytherapy for cervical cancer. Eight Syed/Neblett template-based cervical cancer HDR interstitial brachytherapy cases were used for this study. Brachytherapy treatment plans were first generated using inverse planning simulated annealing (IPSA). Using the same dwell positions designated in IPSA, plans were then optimized with both physical dose and gEUD-based objective functions, using both ASA and GD algorithms. Comparisons were made between plans both qualitatively and based on dose-volume parameters, evaluating each optimization method and objective function. A hybrid objective function was also designed and implemented in the in-house program. The ASA plans are higher on bladder V75% and D2cc (p=0.034) and lower on rectum V75% and D2cc (p=0.034) than the IPSA plans. The ASA and GD plans are not significantly different. The gEUD-based plans have higher homogeneity index (p=0.034), lower overdose index (p=0.005), and lower rectum gEUD and normal tissue complication probability (p=0.005) than the physical dose-based plans. The hybrid function can produce a plan with dosimetric parameters between the physical dose-based and gEUD-based plans. The optimized plans with the same objective value and dose-volume histogram could have different dose distributions. Our optimization program based on ASA and GD algorithms is flexible on objective functions, optimization parameters, and can generate optimized plans comparable with IPSA. Copyright © 2014 American Brachytherapy Society. Published by Elsevier Inc. All rights reserved.

[The utility boiler low NOx combustion optimization based on ANN and simulated annealing algorithm].

PubMed

Zhou, Hao; Qian, Xinping; Zheng, Ligang; Weng, Anxin; Cen, Kefa

2003-11-01

With the developing restrict environmental protection demand, more attention was paid on the low NOx combustion optimizing technology for its cheap and easy property. In this work, field experiments on the NOx emissions characteristics of a 600 MW coal-fired boiler were carried out, on the base of the artificial neural network (ANN) modeling, the simulated annealing (SA) algorithm was employed to optimize the boiler combustion to achieve a low NOx emissions concentration, and the combustion scheme was obtained. Two sets of SA parameters were adopted to find a better SA scheme, the result show that the parameters of T0 = 50 K, alpha = 0.6 can lead to a better optimizing process. This work can give the foundation of the boiler low NOx combustion on-line control technology.

A comparative study of the annealing behavior of Cu(In,Ga)(S,Se){sub 2} based solar cells with an indium sulfide buffer layer, partly submitted to wet chemical treatments

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

Hönes, C., E-mail: christian.hoenes@de.bosch.com; Laboratory for Photovoltaics, University of Luxembourg, 41 rue du Brill, L-4422 Belvaux; Hackenberg, J.

2015-03-07

Indium sulfide thin films deposited via thermal evaporation from compound source material have been successfully utilized as a cadmium free buffer layer for Cu(In,Ga)Se{sub 2} based solar cells. However, high efficiencies are only reached after an additional annealing step. In this work, the annealing behavior of Cu(In,Ga)(S,Se){sub 2} based indium sulfide buffered solar cells is compared to the annealing behavior of similar cells, which were submitted to wet chemical treatments partly containing cadmium ions. Upon annealing a significant improvement of the initial solar cell characteristics is observed for the untreated cell and is related to the increase of activation energymore » for the carrier recombination process and a decrease of the ideality factor within the one diode model. It is shown here that this improvement can also be achieved by wet treatments of the absorber prior to buffer layer deposition. Upon annealing these treated cells still gain in collection length but lose open circuit voltage, which is explained here within a model including a highly p-doped absorber surface layer and supported by simulations showing that a decrease in doping density of such a surface layer would lead to the observed effects.« less

Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs

DOE PAGES

Chintapalli, Mahati; Higa, Kenneth; Chen, X. Chelsea; ...

2016-12-19

A method is presented in this paper to relate local morphology and ionic conductivity in a solid, lamellar block copolymer electrolyte for lithium batteries, by simulating conductivity through transmission electron micrographs. The electrolyte consists of polystyrene-block-poly(ethylene oxide) mixed with lithium bis(trifluoromethanesulfonyl) imide salt (SEO/LiTFSI), where the polystyrene phase is structural phase and the poly(ethylene oxide)/LiTFSI phase is ionically conductive. The electric potential distribution is simulated in binarized micrographs by solving the Laplace equation with constant potential boundary conditions. A morphology factor, f, is reported for each image by calculating the effective conductivity relative to a homogenous conductor. Images from twomore » samples are examined, one annealed with large lamellar grains and one unannealed with small grains. The average value off is 0.45 ± 0.04 for the annealed sample, and 0.37 ± 0.03 for the unannealed sample, both close to the value predicted by effective medium theory, 1/2. Simulated conductivities are compared to published experimental conductivities. The value of f Unannealed/f Annealed is 0.82 for simulations and 6.2 for experiments. Simulation results correspond well to predictions by effective medium theory but do not explain the experimental measurements. Finally, observation of nanoscale morphology over length scales greater than the size of the micrographs (~1 μm) may be required to explain the experimental results.« less

Simulation of local ion transport in lamellar block copolymer electrolytes based on electron micrographs

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

Chintapalli, Mahati; Higa, Kenneth; Chen, X. Chelsea

A method is presented in this paper to relate local morphology and ionic conductivity in a solid, lamellar block copolymer electrolyte for lithium batteries, by simulating conductivity through transmission electron micrographs. The electrolyte consists of polystyrene-block-poly(ethylene oxide) mixed with lithium bis(trifluoromethanesulfonyl) imide salt (SEO/LiTFSI), where the polystyrene phase is structural phase and the poly(ethylene oxide)/LiTFSI phase is ionically conductive. The electric potential distribution is simulated in binarized micrographs by solving the Laplace equation with constant potential boundary conditions. A morphology factor, f, is reported for each image by calculating the effective conductivity relative to a homogenous conductor. Images from twomore » samples are examined, one annealed with large lamellar grains and one unannealed with small grains. The average value off is 0.45 ± 0.04 for the annealed sample, and 0.37 ± 0.03 for the unannealed sample, both close to the value predicted by effective medium theory, 1/2. Simulated conductivities are compared to published experimental conductivities. The value of f Unannealed/f Annealed is 0.82 for simulations and 6.2 for experiments. Simulation results correspond well to predictions by effective medium theory but do not explain the experimental measurements. Finally, observation of nanoscale morphology over length scales greater than the size of the micrographs (~1 μm) may be required to explain the experimental results.« less

Satisfiability Test with Synchronous Simulated Annealing on the Fujitsu AP1000 Massively-Parallel Multiprocessor

NASA Technical Reports Server (NTRS)

Sohn, Andrew; Biswas, Rupak

1996-01-01

Solving the hard Satisfiability Problem is time consuming even for modest-sized problem instances. Solving the Random L-SAT Problem is especially difficult due to the ratio of clauses to variables. This report presents a parallel synchronous simulated annealing method for solving the Random L-SAT Problem on a large-scale distributed-memory multiprocessor. In particular, we use a parallel synchronous simulated annealing procedure, called Generalized Speculative Computation, which guarantees the same decision sequence as sequential simulated annealing. To demonstrate the performance of the parallel method, we have selected problem instances varying in size from 100-variables/425-clauses to 5000-variables/21,250-clauses. Experimental results on the AP1000 multiprocessor indicate that our approach can satisfy 99.9 percent of the clauses while giving almost a 70-fold speedup on 500 processors.

Simulation of radiation damage in minerals by sequential ion irradiations

NASA Astrophysics Data System (ADS)

Nakasuga, W. M.; Li, W.; Ewing, R. C.

2015-12-01

Radiation effects due to α-decay of U and Th and spontaneous fission of 238U control the production and recovery of the radiation-induced structure of minerals, as well as the diffusion of elements through the mineral host. However, details of how the damage microstructure is produced and annealed remain unknown. Our recent ion beam experiments demonstrate that ionizing radiation from the α-particle recovers the damage structure. Thus, the damage structure is not only the result of the thermal hisotry of the sample, but also of the complex interaction between ionizing and ballistic damage mechanisms. By combining ion irradiations with transmission electron microscopy (TEM), we have simulated the damage produced by α-decay and fission. The α-particle induced annealing has been simulated by in situ TEM observation of consecutive ion-irradiations: i.) 1 MeV Kr2+ (simulating 70 keV α-recoils induced damage), ii.) followed by 400 keV He+ (simulating 4.5 MeV α-particle induced annealing). Thus, in addition to the well-established effects of thermal annealing, the α-particle annealing effects, as evidenced by partical recrystallization of the originally, fully-amorphous apatite upon the α-particle irriadations, should also be considered when evaluating diffusion and release of elements, such as He. In addition, the fission track annealing has been simulated by a new sample preparation method that allows for direct observation of radiation damage recovery at each point along the length of latent tracks created by 80 MeV Xe ions (a typical fission fragment). The initial, rapid reduction in etched track length during isothermal annealing is explained by the rapid annealing of those sections of the track with smaller diameters, as observed directly by in situ TEM. In summary, the atomic-scale investigation of radiation damage in minerals is critical to understanding of the influence of raidation damage on diffusion and kinetics that are fundamental to geochronology.

Quantum versus simulated annealing in wireless interference network optimization.

PubMed

Wang, Chi; Chen, Huo; Jonckheere, Edmond

2016-05-16

Quantum annealing (QA) serves as a specialized optimizer that is able to solve many NP-hard problems and that is believed to have a theoretical advantage over simulated annealing (SA) via quantum tunneling. With the introduction of the D-Wave programmable quantum annealer, a considerable amount of effort has been devoted to detect and quantify quantum speedup. While the debate over speedup remains inconclusive as of now, instead of attempting to show general quantum advantage, here, we focus on a novel real-world application of D-Wave in wireless networking-more specifically, the scheduling of the activation of the air-links for maximum throughput subject to interference avoidance near network nodes. In addition, D-Wave implementation is made error insensitive by a novel Hamiltonian extra penalty weight adjustment that enlarges the gap and substantially reduces the occurrence of interference violations resulting from inevitable spin bias and coupling errors. The major result of this paper is that quantum annealing benefits more than simulated annealing from this gap expansion process, both in terms of ST99 speedup and network queue occupancy. It is the hope that this could become a real-word application niche where potential benefits of quantum annealing could be objectively assessed.

Quantum versus simulated annealing in wireless interference network optimization

PubMed Central

Wang, Chi; Chen, Huo; Jonckheere, Edmond

2016-01-01

Quantum annealing (QA) serves as a specialized optimizer that is able to solve many NP-hard problems and that is believed to have a theoretical advantage over simulated annealing (SA) via quantum tunneling. With the introduction of the D-Wave programmable quantum annealer, a considerable amount of effort has been devoted to detect and quantify quantum speedup. While the debate over speedup remains inconclusive as of now, instead of attempting to show general quantum advantage, here, we focus on a novel real-world application of D-Wave in wireless networking—more specifically, the scheduling of the activation of the air-links for maximum throughput subject to interference avoidance near network nodes. In addition, D-Wave implementation is made error insensitive by a novel Hamiltonian extra penalty weight adjustment that enlarges the gap and substantially reduces the occurrence of interference violations resulting from inevitable spin bias and coupling errors. The major result of this paper is that quantum annealing benefits more than simulated annealing from this gap expansion process, both in terms of ST99 speedup and network queue occupancy. It is the hope that this could become a real-word application niche where potential benefits of quantum annealing could be objectively assessed. PMID:27181056

Quantum versus simulated annealing in wireless interference network optimization

NASA Astrophysics Data System (ADS)

Wang, Chi; Chen, Huo; Jonckheere, Edmond

2016-05-01

Quantum annealing (QA) serves as a specialized optimizer that is able to solve many NP-hard problems and that is believed to have a theoretical advantage over simulated annealing (SA) via quantum tunneling. With the introduction of the D-Wave programmable quantum annealer, a considerable amount of effort has been devoted to detect and quantify quantum speedup. While the debate over speedup remains inconclusive as of now, instead of attempting to show general quantum advantage, here, we focus on a novel real-world application of D-Wave in wireless networking—more specifically, the scheduling of the activation of the air-links for maximum throughput subject to interference avoidance near network nodes. In addition, D-Wave implementation is made error insensitive by a novel Hamiltonian extra penalty weight adjustment that enlarges the gap and substantially reduces the occurrence of interference violations resulting from inevitable spin bias and coupling errors. The major result of this paper is that quantum annealing benefits more than simulated annealing from this gap expansion process, both in terms of ST99 speedup and network queue occupancy. It is the hope that this could become a real-word application niche where potential benefits of quantum annealing could be objectively assessed.

Comparison of optimization algorithms in intensity-modulated radiation therapy planning

NASA Astrophysics Data System (ADS)

Kendrick, Rachel

Intensity-modulated radiation therapy is used to better conform the radiation dose to the target, which includes avoiding healthy tissue. Planning programs employ optimization methods to search for the best fluence of each photon beam, and therefore to create the best treatment plan. The Computational Environment for Radiotherapy Research (CERR), a program written in MATLAB, was used to examine some commonly-used algorithms for one 5-beam plan. Algorithms include the genetic algorithm, quadratic programming, pattern search, constrained nonlinear optimization, simulated annealing, the optimization method used in Varian EclipseTM, and some hybrids of these. Quadratic programing, simulated annealing, and a quadratic/simulated annealing hybrid were also separately compared using different prescription doses. The results of each dose-volume histogram as well as the visual dose color wash were used to compare the plans. CERR's built-in quadratic programming provided the best overall plan, but avoidance of the organ-at-risk was rivaled by other programs. Hybrids of quadratic programming with some of these algorithms seems to suggest the possibility of better planning programs, as shown by the improved quadratic/simulated annealing plan when compared to the simulated annealing algorithm alone. Further experimentation will be done to improve cost functions and computational time.

Genetic Algorithms and Their Application to the Protein Folding Problem

DTIC Science & Technology

1993-12-01

and symbolic methods, random methods such as Monte Carlo simulation and simulated annealing, distance geometry, and molecular dynamics. Many of these...calculated energies with those obtained using the molecular simulation software package called CHARMm. 10 9) Test both the simple and parallel simpie genetic...homology-based, and simplification techniques. 3.21 Molecular Dynamics. Perhaps the most natural approach is to actually simulate the folding process. This

Iterative simulated quenching for designing irregular-spot-array generators.

PubMed

Gillet, J N; Sheng, Y

2000-07-10

We propose a novel, to our knowledge, algorithm of iterative simulated quenching with temperature rescaling for designing diffractive optical elements, based on an analogy between simulated annealing and statistical thermodynamics. The temperature is iteratively rescaled at the end of each quenching process according to ensemble statistics to bring the system back from a frozen imperfect state with a local minimum of energy to a dynamic state in a Boltzmann heat bath in thermal equilibrium at the rescaled temperature. The new algorithm achieves much lower cost function and reconstruction error and higher diffraction efficiency than conventional simulated annealing with a fast exponential cooling schedule and is easy to program. The algorithm is used to design binary-phase generators of large irregular spot arrays. The diffractive phase elements have trapezoidal apertures of varying heights, which fit ideal arbitrary-shaped apertures better than do trapezoidal apertures of fixed heights.

Understanding Quantum Tunneling through Quantum Monte Carlo Simulations.

PubMed

Isakov, Sergei V; Mazzola, Guglielmo; Smelyanskiy, Vadim N; Jiang, Zhang; Boixo, Sergio; Neven, Hartmut; Troyer, Matthias

2016-10-28

The tunneling between the two ground states of an Ising ferromagnet is a typical example of many-body tunneling processes between two local minima, as they occur during quantum annealing. Performing quantum Monte Carlo (QMC) simulations we find that the QMC tunneling rate displays the same scaling with system size, as the rate of incoherent tunneling. The scaling in both cases is O(Δ^{2}), where Δ is the tunneling splitting (or equivalently the minimum spectral gap). An important consequence is that QMC simulations can be used to predict the performance of a quantum annealer for tunneling through a barrier. Furthermore, by using open instead of periodic boundary conditions in imaginary time, equivalent to a projector QMC algorithm, we obtain a quadratic speedup for QMC simulations, and achieve linear scaling in Δ. We provide a physical understanding of these results and their range of applicability based on an instanton picture.

Adaptive multiple super fast simulated annealing for stochastic microstructure reconstruction

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

Ryu, Seun; Lin, Guang; Sun, Xin

2013-01-01

Fast image reconstruction from statistical information is critical in image fusion from multimodality chemical imaging instrumentation to create high resolution image with large domain. Stochastic methods have been used widely in image reconstruction from two point correlation function. The main challenge is to increase the efficiency of reconstruction. A novel simulated annealing method is proposed for fast solution of image reconstruction. Combining the advantage of very fast cooling schedules, dynamic adaption and parallelization, the new simulation annealing algorithm increases the efficiencies by several orders of magnitude, making the large domain image fusion feasible.

Ideal versus real: simulated annealing of experimentally derived and geometric platinum nanoparticles

NASA Astrophysics Data System (ADS)

Ellaby, Tom; Aarons, Jolyon; Varambhia, Aakash; Jones, Lewys; Nellist, Peter; Ozkaya, Dogan; Sarwar, Misbah; Thompsett, David; Skylaris, Chris-Kriton

2018-04-01

Platinum nanoparticles find significant use as catalysts in industrial applications such as fuel cells. Research into their design has focussed heavily on nanoparticle size and shape as they greatly influence activity. Using high throughput, high precision electron microscopy, the structures of commercially available Pt catalysts have been determined, and we have used classical and quantum atomistic simulations to examine and compare them with geometric cuboctahedral and truncated octahedral structures. A simulated annealing procedure was used both to explore the potential energy surface at different temperatures, and also to assess the effect on catalytic activity that annealing would have on nanoparticles with different geometries and sizes. The differences in response to annealing between the real and geometric nanoparticles are discussed in terms of thermal stability, coordination number and the proportion of optimal binding sites on the surface of the nanoparticles. We find that annealing both experimental and geometric nanoparticles results in structures that appear similar in shape and predicted activity, using oxygen adsorption as a measure. Annealing is predicted to increase the catalytic activity in all cases except the truncated octahedra, where it has the opposite effect. As our simulations have been performed with a classical force field, we also assess its suitability to describe the potential energy of such nanoparticles by comparing with large scale density functional theory calculations.

Airport Flight Departure Delay Model on Improved BN Structure Learning

NASA Astrophysics Data System (ADS)

Cao, Weidong; Fang, Xiangnong

An high score prior genetic simulated annealing Bayesian network structure learning algorithm (HSPGSA) by combining genetic algorithm(GA) with simulated annealing algorithm(SAA) is developed. The new algorithm provides not only with strong global search capability of GA, but also with strong local hill climb search capability of SAA. The structure with the highest score is prior selected. In the mean time, structures with lower score are also could be choice. It can avoid efficiently prematurity problem by higher score individual wrong direct growing population. Algorithm is applied to flight departure delays analysis in a large hub airport. Based on the flight data a BN model is created. Experiments show that parameters learning can reflect departure delay.

Distributed genetic algorithms for the floorplan design problem

NASA Technical Reports Server (NTRS)

Cohoon, James P.; Hegde, Shailesh U.; Martin, Worthy N.; Richards, Dana S.

1991-01-01

Designing a VLSI floorplan calls for arranging a given set of modules in the plane to minimize the weighted sum of area and wire-length measures. A method of solving the floorplan design problem using distributed genetic algorithms is presented. Distributed genetic algorithms, based on the paleontological theory of punctuated equilibria, offer a conceptual modification to the traditional genetic algorithms. Experimental results on several problem instances demonstrate the efficacy of this method and indicate the advantages of this method over other methods, such as simulated annealing. The method has performed better than the simulated annealing approach, both in terms of the average cost of the solutions found and the best-found solution, in almost all the problem instances tried.

Minimizing the Discrepancy between Simulated and Historical Failures in Turbine Engines: A Simulation-Based Optimization Method (Postprint)

DTIC Science & Technology

2015-01-01

Procedure. The simulated annealing (SA) algorithm is a well-known local search metaheuristic used to address discrete, continuous, and multiobjective...design of experiments (DOE) to tune the parameters of the optimiza- tion algorithm . Section 5 shows the results of the case study. Finally, concluding... metaheuristic . The proposed method is broken down into two phases. Phase I consists of a Monte Carlo simulation to obtain the simulated percentage of failure

Robust quantum optimizer with full connectivity

PubMed Central

Nigg, Simon E.; Lörch, Niels; Tiwari, Rakesh P.

2017-01-01

Quantum phenomena have the potential to speed up the solution of hard optimization problems. For example, quantum annealing, based on the quantum tunneling effect, has recently been shown to scale exponentially better with system size than classical simulated annealing. However, current realizations of quantum annealers with superconducting qubits face two major challenges. First, the connectivity between the qubits is limited, excluding many optimization problems from a direct implementation. Second, decoherence degrades the success probability of the optimization. We address both of these shortcomings and propose an architecture in which the qubits are robustly encoded in continuous variable degrees of freedom. By leveraging the phenomenon of flux quantization, all-to-all connectivity with sufficient tunability to implement many relevant optimization problems is obtained without overhead. Furthermore, we demonstrate the robustness of this architecture by simulating the optimal solution of a small instance of the nondeterministic polynomial-time hard (NP-hard) and fully connected number partitioning problem in the presence of dissipation. PMID:28435880

Quantum annealing versus classical machine learning applied to a simplified computational biology problem

PubMed Central

Li, Richard Y.; Di Felice, Rosa; Rohs, Remo; Lidar, Daniel A.

2018-01-01

Transcription factors regulate gene expression, but how these proteins recognize and specifically bind to their DNA targets is still debated. Machine learning models are effective means to reveal interaction mechanisms. Here we studied the ability of a quantum machine learning approach to predict binding specificity. Using simplified datasets of a small number of DNA sequences derived from actual binding affinity experiments, we trained a commercially available quantum annealer to classify and rank transcription factor binding. The results were compared to state-of-the-art classical approaches for the same simplified datasets, including simulated annealing, simulated quantum annealing, multiple linear regression, LASSO, and extreme gradient boosting. Despite technological limitations, we find a slight advantage in classification performance and nearly equal ranking performance using the quantum annealer for these fairly small training data sets. Thus, we propose that quantum annealing might be an effective method to implement machine learning for certain computational biology problems. PMID:29652405

Effect of Annealing Treatment on Mechanical Properties of Nanocrystalline α-iron: an Atomistic Study

PubMed Central

Tong, Xuhang; Zhang, Hao; Li, D. Y.

2015-01-01

Claims are often found in the literature that metallic materials can be nanocrystallized by severe plastic deformation (SPD). However, SPD does not generate a well-defined nanocrystalline (NC) material, which can be achieved by subsequent annealing/recovery treatment. In this study, molecular dynamics (MD) simulation is employed to study the effect of annealing on structure and mechanical properties of cyclic deformed NC α-iron, which simulates SPD-processed α-iron. It is demonstrated that grain boundaries in the deformed NC α-iron evolve to a more equilibrium state during annealing, eliminating or minimizing the residual stress. The annealing treatment increases the system's strength by reducing dislocation emission sources, and improves material ductility through strengthening grain boundaries' resistance to intergranular cracks. The results indicate that the annealing treatment is an essential process for obtaining a well-defined NC structure with superior mechanical properties. PMID:25675978

Sparse approximation problem: how rapid simulated annealing succeeds and fails

NASA Astrophysics Data System (ADS)

Obuchi, Tomoyuki; Kabashima, Yoshiyuki

2016-03-01

Information processing techniques based on sparseness have been actively studied in several disciplines. Among them, a mathematical framework to approximately express a given dataset by a combination of a small number of basis vectors of an overcomplete basis is termed the sparse approximation. In this paper, we apply simulated annealing, a metaheuristic algorithm for general optimization problems, to sparse approximation in the situation where the given data have a planted sparse representation and noise is present. The result in the noiseless case shows that our simulated annealing works well in a reasonable parameter region: the planted solution is found fairly rapidly. This is true even in the case where a common relaxation of the sparse approximation problem, the G-relaxation, is ineffective. On the other hand, when the dimensionality of the data is close to the number of non-zero components, another metastable state emerges, and our algorithm fails to find the planted solution. This phenomenon is associated with a first-order phase transition. In the case of very strong noise, it is no longer meaningful to search for the planted solution. In this situation, our algorithm determines a solution with close-to-minimum distortion fairly quickly.

Kinetics modeling of precipitation with characteristic shape during post-implantation annealing

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

Li, Kun-Dar, E-mail: kundar@mail.nutn.edu.tw; Chen, Kwanyu

2015-11-15

In this study, we investigated the precipitation with characteristic shape in the microstructure during post-implantation annealing via a theoretical modeling approach. The processes of precipitates formation and evolution during phase separation were based on a nucleation and growth mechanism of atomic diffusion. Different stages of the precipitation, including the nucleation, growth and coalescence, were distinctly revealed in the numerical simulations. In addition, the influences of ion dose, temperature and crystallographic symmetry on the processes of faceted precipitation were also demonstrated. To comprehend the kinetic mechanism, the simulation results were further analyzed quantitatively by the Kolmogorov-Johnson-Mehl-Avrami (KJMA) equation. The Avrami exponentsmore » obtained from the regression curves varied from 1.47 to 0.52 for different conditions. With the increase of ion dose and temperature, the nucleation and growth of precipitations were expedited in accordance with the shortened incubation time and the raised coefficient of growth rate. A miscellaneous shape of precipitates in various crystallographic symmetry systems could be simulated through this anisotropic model. From the analyses of the kinetics, more fundamental information about the nucleation and growth mechanism of faceted precipitation during post-implantation annealing was acquired for future application.« less

Quantum Spin Glasses, Annealing and Computation

NASA Astrophysics Data System (ADS)

Chakrabarti, Bikas K.; Inoue, Jun-ichi; Tamura, Ryo; Tanaka, Shu

2017-05-01

List of tables; List of figures, Preface; 1. Introduction; Part I. Quantum Spin Glass, Annealing and Computation: 2. Classical spin models from ferromagnetic spin systems to spin glasses; 3. Simulated annealing; 4. Quantum spin glass; 5. Quantum dynamics; 6. Quantum annealing; Part II. Additional Notes: 7. Notes on adiabatic quantum computers; 8. Quantum information and quenching dynamics; 9. A brief historical note on the studies of quantum glass, annealing and computation.

Using an improved association rules mining optimization algorithm in web-based mobile-learning system

NASA Astrophysics Data System (ADS)

Huang, Yin; Chen, Jianhua; Xiong, Shaojun

2009-07-01

Mobile-Learning (M-learning) makes many learners get the advantages of both traditional learning and E-learning. Currently, Web-based Mobile-Learning Systems have created many new ways and defined new relationships between educators and learners. Association rule mining is one of the most important fields in data mining and knowledge discovery in databases. Rules explosion is a serious problem which causes great concerns, as conventional mining algorithms often produce too many rules for decision makers to digest. Since Web-based Mobile-Learning System collects vast amounts of student profile data, data mining and knowledge discovery techniques can be applied to find interesting relationships between attributes of learners, assessments, the solution strategies adopted by learners and so on. Therefore ,this paper focus on a new data-mining algorithm, combined with the advantages of genetic algorithm and simulated annealing algorithm , called ARGSA(Association rules based on an improved Genetic Simulated Annealing Algorithm), to mine the association rules. This paper first takes advantage of the Parallel Genetic Algorithm and Simulated Algorithm designed specifically for discovering association rules. Moreover, the analysis and experiment are also made to show the proposed method is superior to the Apriori algorithm in this Mobile-Learning system.

Analysis and optimization of population annealing

NASA Astrophysics Data System (ADS)

Amey, Christopher; Machta, Jonathan

2018-03-01

Population annealing is an easily parallelizable sequential Monte Carlo algorithm that is well suited for simulating the equilibrium properties of systems with rough free-energy landscapes. In this work we seek to understand and improve the performance of population annealing. We derive several useful relations between quantities that describe the performance of population annealing and use these relations to suggest methods to optimize the algorithm. These optimization methods were tested by performing large-scale simulations of the three-dimensional (3D) Edwards-Anderson (Ising) spin glass and measuring several observables. The optimization methods were found to substantially decrease the amount of computational work necessary as compared to previously used, unoptimized versions of population annealing. We also obtain more accurate values of several important observables for the 3D Edwards-Anderson model.

Parameter discovery in stochastic biological models using simulated annealing and statistical model checking.

PubMed

Hussain, Faraz; Jha, Sumit K; Jha, Susmit; Langmead, Christopher J

2014-01-01

Stochastic models are increasingly used to study the behaviour of biochemical systems. While the structure of such models is often readily available from first principles, unknown quantitative features of the model are incorporated into the model as parameters. Algorithmic discovery of parameter values from experimentally observed facts remains a challenge for the computational systems biology community. We present a new parameter discovery algorithm that uses simulated annealing, sequential hypothesis testing, and statistical model checking to learn the parameters in a stochastic model. We apply our technique to a model of glucose and insulin metabolism used for in-silico validation of artificial pancreata and demonstrate its effectiveness by developing parallel CUDA-based implementation for parameter synthesis in this model.

Heart murmur detection based on wavelet transformation and a synergy between artificial neural network and modified neighbor annealing methods.

PubMed

Eslamizadeh, Gholamhossein; Barati, Ramin

2017-05-01

Early recognition of heart disease plays a vital role in saving lives. Heart murmurs are one of the common heart problems. In this study, Artificial Neural Network (ANN) is trained with Modified Neighbor Annealing (MNA) to classify heart cycles into normal and murmur classes. Heart cycles are separated from heart sounds using wavelet transformer. The network inputs are features extracted from individual heart cycles, and two classification outputs. Classification accuracy of the proposed model is compared with five multilayer perceptron trained with Levenberg-Marquardt, Extreme-learning-machine, back-propagation, simulated-annealing, and neighbor-annealing algorithms. It is also compared with a Self-Organizing Map (SOM) ANN. The proposed model is trained and tested using real heart sounds available in the Pascal database to show the applicability of the proposed scheme. Also, a device to record real heart sounds has been developed and used for comparison purposes too. Based on the results of this study, MNA can be used to produce considerable results as a heart cycle classifier. Copyright © 2017 Elsevier B.V. All rights reserved.

A clustering method of Chinese medicine prescriptions based on modified firefly algorithm.

PubMed

Yuan, Feng; Liu, Hong; Chen, Shou-Qiang; Xu, Liang

2016-12-01

This paper is aimed to study the clustering method for Chinese medicine (CM) medical cases. The traditional K-means clustering algorithm had shortcomings such as dependence of results on the selection of initial value, trapping in local optimum when processing prescriptions form CM medical cases. Therefore, a new clustering method based on the collaboration of firefly algorithm and simulated annealing algorithm was proposed. This algorithm dynamically determined the iteration of firefly algorithm and simulates sampling of annealing algorithm by fitness changes, and increased the diversity of swarm through expansion of the scope of the sudden jump, thereby effectively avoiding premature problem. The results from confirmatory experiments for CM medical cases suggested that, comparing with traditional K-means clustering algorithms, this method was greatly improved in the individual diversity and the obtained clustering results, the computing results from this method had a certain reference value for cluster analysis on CM prescriptions.

Efficient generation of low-energy folded states of a model protein

NASA Astrophysics Data System (ADS)

Gordon, Heather L.; Kwan, Wai Kei; Gong, Chunhang; Larrass, Stefan; Rothstein, Stuart M.

2003-01-01

A number of short simulated annealing runs are performed on a highly-frustrated 46-"residue" off-lattice model protein. We perform, in an iterative fashion, a principal component analysis of the 946 nonbonded interbead distances, followed by two varieties of cluster analyses: hierarchical and k-means clustering. We identify several distinct sets of conformations with reasonably consistent cluster membership. Nonbonded distance constraints are derived for each cluster and are employed within a distance geometry approach to generate many new conformations, previously unidentified by the simulated annealing experiments. Subsequent analyses suggest that these new conformations are members of the parent clusters from which they were generated. Furthermore, several novel, previously unobserved structures with low energy were uncovered, augmenting the ensemble of simulated annealing results, and providing a complete distribution of low-energy states. The computational cost of this approach to generating low-energy conformations is small when compared to the expense of further Monte Carlo simulated annealing runs.

SU-F-BRD-13: Quantum Annealing Applied to IMRT Beamlet Intensity Optimization

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

Nazareth, D; Spaans, J

Purpose: We report on the first application of quantum annealing (QA) to the process of beamlet intensity optimization for IMRT. QA is a new technology, which employs novel hardware and software techniques to address various discrete optimization problems in many fields. Methods: We apply the D-Wave Inc. proprietary hardware, which natively exploits quantum mechanical effects for improved optimization. The new QA algorithm, running on this hardware, is most similar to simulated annealing, but relies on natural processes to directly minimize the free energy of a system. A simple quantum system is slowly evolved into a classical system, representing the objectivemore » function. To apply QA to IMRT-type optimization, two prostate cases were considered. A reduced number of beamlets were employed, due to the current QA hardware limitation of ∼500 binary variables. The beamlet dose matrices were computed using CERR, and an objective function was defined based on typical clinical constraints, including dose-volume objectives. The objective function was discretized, and the QA method was compared to two standard optimization Methods: simulated annealing and Tabu search, run on a conventional computing cluster. Results: Based on several runs, the average final objective function value achieved by the QA was 16.9 for the first patient, compared with 10.0 for Tabu and 6.7 for the SA. For the second patient, the values were 70.7 for the QA, 120.0 for Tabu, and 22.9 for the SA. The QA algorithm required 27–38% of the time required by the other two methods. Conclusion: In terms of objective function value, the QA performance was similar to Tabu but less effective than the SA. However, its speed was 3–4 times faster than the other two methods. This initial experiment suggests that QA-based heuristics may offer significant speedup over conventional clinical optimization methods, as quantum annealing hardware scales to larger sizes.« less

Parallel tempering for the traveling salesman problem

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

Percus, Allon; Wang, Richard; Hyman, Jeffrey

We explore the potential of parallel tempering as a combinatorial optimization method, applying it to the traveling salesman problem. We compare simulation results of parallel tempering with a benchmark implementation of simulated annealing, and study how different choices of parameters affect the relative performance of the two methods. We find that a straightforward implementation of parallel tempering can outperform simulated annealing in several crucial respects. When parameters are chosen appropriately, both methods yield close approximation to the actual minimum distance for an instance with 200 nodes. However, parallel tempering yields more consistently accurate results when a series of independent simulationsmore » are performed. Our results suggest that parallel tempering might offer a simple but powerful alternative to simulated annealing for combinatorial optimization problems.« less

Effect of hydrogen adsorption on the formation and annealing of Stone-Wales defects in graphene

NASA Astrophysics Data System (ADS)

Podlivaev, A. I.; Openov, L. A.

2015-12-01

The heights of energy barriers preventing the formation and annealing of Stone-Wales defects in graphene with a hydrogen atom adsorbed on the defect or in its immediate vicinity have been calculated using the atomistic computer simulation. It has been shown that, in the presence of hydrogen, both barriers are significantly lower than those in the absence of hydrogen. Based on the analysis of the potential energy surface, the frequency factors have been calculated for two different paths of the Stone-Wales transformation, and the temperature dependences of the corresponding annealing times of the defects have been found. The results obtained have been compared with the first-principles calculations and molecular dynamics data.

Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations

NASA Technical Reports Server (NTRS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Boixo, Sergio; Isakov, Sergei V.; Neven, Hartmut; Mazzola, Guglielmo; Troyer, Matthias

2015-01-01

Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.

Adaptive MANET multipath routing algorithm based on the simulated annealing approach.

PubMed

Kim, Sungwook

2014-01-01

Mobile ad hoc network represents a system of wireless mobile nodes that can freely and dynamically self-organize network topologies without any preexisting communication infrastructure. Due to characteristics like temporary topology and absence of centralized authority, routing is one of the major issues in ad hoc networks. In this paper, a new multipath routing scheme is proposed by employing simulated annealing approach. The proposed metaheuristic approach can achieve greater and reciprocal advantages in a hostile dynamic real world network situation. Therefore, the proposed routing scheme is a powerful method for finding an effective solution into the conflict mobile ad hoc network routing problem. Simulation results indicate that the proposed paradigm adapts best to the variation of dynamic network situations. The average remaining energy, network throughput, packet loss probability, and traffic load distribution are improved by about 10%, 10%, 5%, and 10%, respectively, more than the existing schemes.

Thin-film designs by simulated annealing

NASA Astrophysics Data System (ADS)

Boudet, T.; Chaton, P.; Herault, L.; Gonon, G.; Jouanet, L.; Keller, P.

1996-11-01

With the increasing power of computers, new methods in synthesis of optical multilayer systems have appeared. Among these, the simulated-annealing algorithm has proved its efficiency in several fields of physics. We propose to show its performances in the field of optical multilayer systems through different filter designs.

Asset Allocation to Cover a Region of Piracy

DTIC Science & Technology

2011-09-01

1087-1092. 8. Kirkpatrick, S., Optimization by Simulated Annealing. Science, 1983. 220(4598): p. 671-680. 9. Daskin , M. S., A bibliography for some...... a uniform piracy risk and where some areas are more vulnerable than others. Simulated annealing was used to allocate the patrolling naval assets

Annealing effect on thermodynamic and physical properties of mesoporous silicon: A simulation and nitrogen sorption study

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

Kumar, Pushpendra, E-mail: pkumar-iitd@yahoo.com; Huber, Patrick, E-mail: patrick.huber@tuhh.de

Discovery of porous silicon formation in silicon substrate in 1956 while electro-polishing crystalline Si in hydrofluoric acid (HF), has triggered large scale investigations of porous silicon formation and their changes in physical and chemical properties with thermal and chemical treatment. A nitrogen sorption study is used to investigate the effect of thermal annealing on electrochemically etched mesoporous silicon (PS). The PS was thermally annealed from 200°C to 800°C for 1 hr in the presence of air. It was shown that the pore diameter and porosity of PS vary with annealing temperature. The experimentally obtained adsorption / desorption isotherms show hysteresis typicalmore » for capillary condensation in porous materials. A simulation study based on Saam and Cole model was performed and compared with experimentally observed sorption isotherms to study the physics behind of hysteresis formation. We discuss the shape of the hysteresis loops in the framework of the morphology of the layers. The different behavior of adsorption and desorption of nitrogen in PS with pore diameter was discussed in terms of concave menisci formation inside the pore space, which was shown to related with the induced pressure in varying the pore diameter from 7.2 nm to 3.4 nm.« less

Exploring first-order phase transitions with population annealing

NASA Astrophysics Data System (ADS)

Barash, Lev Yu.; Weigel, Martin; Shchur, Lev N.; Janke, Wolfhard

2017-03-01

Population annealing is a hybrid of sequential and Markov chain Monte Carlo methods geared towards the efficient parallel simulation of systems with complex free-energy landscapes. Systems with first-order phase transitions are among the problems in computational physics that are difficult to tackle with standard methods such as local-update simulations in the canonical ensemble, for example with the Metropolis algorithm. It is hence interesting to see whether such transitions can be more easily studied using population annealing. We report here our preliminary observations from population annealing runs for the two-dimensional Potts model with q > 4, where it undergoes a first-order transition.

Quantum annealing versus classical machine learning applied to a simplified computational biology problem

NASA Astrophysics Data System (ADS)

Li, Richard Y.; Di Felice, Rosa; Rohs, Remo; Lidar, Daniel A.

2018-03-01

Transcription factors regulate gene expression, but how these proteins recognize and specifically bind to their DNA targets is still debated. Machine learning models are effective means to reveal interaction mechanisms. Here we studied the ability of a quantum machine learning approach to classify and rank binding affinities. Using simplified data sets of a small number of DNA sequences derived from actual binding affinity experiments, we trained a commercially available quantum annealer to classify and rank transcription factor binding. The results were compared to state-of-the-art classical approaches for the same simplified data sets, including simulated annealing, simulated quantum annealing, multiple linear regression, LASSO, and extreme gradient boosting. Despite technological limitations, we find a slight advantage in classification performance and nearly equal ranking performance using the quantum annealer for these fairly small training data sets. Thus, we propose that quantum annealing might be an effective method to implement machine learning for certain computational biology problems.

A graph-based watershed merging using fuzzy C-means and simulated annealing for image segmentation

NASA Astrophysics Data System (ADS)

Vadiveloo, Mogana; Abdullah, Rosni; Rajeswari, Mandava

2015-12-01

In this paper, we have addressed the issue of over-segmented regions produced in watershed by merging the regions using global feature. The global feature information is obtained from clustering the image in its feature space using Fuzzy C-Means (FCM) clustering. The over-segmented regions produced by performing watershed on the gradient of the image are then mapped to this global information in the feature space. Further to this, the global feature information is optimized using Simulated Annealing (SA). The optimal global feature information is used to derive the similarity criterion to merge the over-segmented watershed regions which are represented by the region adjacency graph (RAG). The proposed method has been tested on digital brain phantom simulated dataset to segment white matter (WM), gray matter (GM) and cerebrospinal fluid (CSF) soft tissues regions. The experiments showed that the proposed method performs statistically better, with average of 95.242% regions are merged, than the immersion watershed and average accuracy improvement of 8.850% in comparison with RAG-based immersion watershed merging using global and local features.

A positional misalignment correction method for Fourier ptychographic microscopy based on simulated annealing

NASA Astrophysics Data System (ADS)

Sun, Jiasong; Zhang, Yuzhen; Chen, Qian; Zuo, Chao

2017-02-01

Fourier ptychographic microscopy (FPM) is a newly developed super-resolution technique, which employs angularly varying illuminations and a phase retrieval algorithm to surpass the diffraction limit of a low numerical aperture (NA) objective lens. In current FPM imaging platforms, accurate knowledge of LED matrix's position is critical to achieve good recovery quality. Furthermore, considering such a wide field-of-view (FOV) in FPM, different regions in the FOV have different sensitivity of LED positional misalignment. In this work, we introduce an iterative method to correct position errors based on the simulated annealing (SA) algorithm. To improve the efficiency of this correcting process, large number of iterations for several images with low illumination NAs are firstly implemented to estimate the initial values of the global positional misalignment model through non-linear regression. Simulation and experimental results are presented to evaluate the performance of the proposed method and it is demonstrated that this method can both improve the quality of the recovered object image and relax the LED elements' position accuracy requirement while aligning the FPM imaging platforms.

Simulated parallel annealing within a neighborhood for optimization of biomechanical systems.

PubMed

Higginson, J S; Neptune, R R; Anderson, F C

2005-09-01

Optimization problems for biomechanical systems have become extremely complex. Simulated annealing (SA) algorithms have performed well in a variety of test problems and biomechanical applications; however, despite advances in computer speed, convergence to optimal solutions for systems of even moderate complexity has remained prohibitive. The objective of this study was to develop a portable parallel version of a SA algorithm for solving optimization problems in biomechanics. The algorithm for simulated parallel annealing within a neighborhood (SPAN) was designed to minimize interprocessor communication time and closely retain the heuristics of the serial SA algorithm. The computational speed of the SPAN algorithm scaled linearly with the number of processors on different computer platforms for a simple quadratic test problem and for a more complex forward dynamic simulation of human pedaling.

High-temperature annealing of graphite: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Petersen, Andrew; Gillette, Victor

2018-05-01

A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.

Close packing in curved space by simulated annealing

NASA Astrophysics Data System (ADS)

Wille, L. T.

1987-12-01

The problem of packing spheres of a maximum radius on the surface of a four-dimensional hypersphere is considered. It is shown how near-optimal solutions can be obtained by packing soft spheres, modelled as classical particles interacting under an inverse power potential, followed by a subsequent hardening of the interaction. In order to avoid trapping in high-lying local minima, the simulated annealing method is used to optimise the soft-sphere packing. Several improvements over other work (based on local optimisation of random initial configurations of hard spheres) have been found. The freezing behaviour of this system is discussed as a function of particle number, softness of the potential and cooling rate. Apart from their geometric interest, these results are useful in the study of topological frustration, metallic glasses and quasicrystals.

Free Energy Minimization by Simulated Annealing with Applications to Lithospheric Slabs and Mantle Plumes

NASA Astrophysics Data System (ADS)

Bina, C. R.

An optimization algorithm based upon the method of simulated annealing is of utility in calculating equilibrium phase assemblages as functions of pressure, temperature, and chemical composi tion. Operating by analogy to the statistical mechanics of the chemical system, it is applicable both to problems of strict chemical equilibrium and to problems involving metastability. The method reproduces known phase diagrams and illustrates the expected thermal deflection of phase transitions in thermal models of subducting lithospheric slabs and buoyant mantle plumes. It reveals temperature-induced changes in phase transition sharpness and the stability of Fe-rich γ phase within an α+γ field in cold slab thermal models, and it suggests that transitions such as the possible breakdown of silicate perovskite to mixed oxides can amplify velocity anomalies.

An Improved Simulated Annealing Technique for Enhanced Mobility in Smart Cities.

PubMed

Amer, Hayder; Salman, Naveed; Hawes, Matthew; Chaqfeh, Moumena; Mihaylova, Lyudmila; Mayfield, Martin

2016-06-30

Vehicular traffic congestion is a significant problem that arises in many cities. This is due to the increasing number of vehicles that are driving on city roads of limited capacity. The vehicular congestion significantly impacts travel distance, travel time, fuel consumption and air pollution. Avoidance of traffic congestion and providing drivers with optimal paths are not trivial tasks. The key contribution of this work consists of the developed approach for dynamic calculation of optimal traffic routes. Two attributes (the average travel speed of the traffic and the roads' length) are utilized by the proposed method to find the optimal paths. The average travel speed values can be obtained from the sensors deployed in smart cities and communicated to vehicles via the Internet of Vehicles and roadside communication units. The performance of the proposed algorithm is compared to three other algorithms: the simulated annealing weighted sum, the simulated annealing technique for order preference by similarity to the ideal solution and the Dijkstra algorithm. The weighted sum and technique for order preference by similarity to the ideal solution methods are used to formulate different attributes in the simulated annealing cost function. According to the Sheffield scenario, simulation results show that the improved simulated annealing technique for order preference by similarity to the ideal solution method improves the traffic performance in the presence of congestion by an overall average of 19.22% in terms of travel time, fuel consumption and CO₂ emissions as compared to other algorithms; also, similar performance patterns were achieved for the Birmingham test scenario.

An Improved Simulated Annealing Technique for Enhanced Mobility in Smart Cities

PubMed Central

Amer, Hayder; Salman, Naveed; Hawes, Matthew; Chaqfeh, Moumena; Mihaylova, Lyudmila; Mayfield, Martin

2016-01-01

Vehicular traffic congestion is a significant problem that arises in many cities. This is due to the increasing number of vehicles that are driving on city roads of limited capacity. The vehicular congestion significantly impacts travel distance, travel time, fuel consumption and air pollution. Avoidance of traffic congestion and providing drivers with optimal paths are not trivial tasks. The key contribution of this work consists of the developed approach for dynamic calculation of optimal traffic routes. Two attributes (the average travel speed of the traffic and the roads’ length) are utilized by the proposed method to find the optimal paths. The average travel speed values can be obtained from the sensors deployed in smart cities and communicated to vehicles via the Internet of Vehicles and roadside communication units. The performance of the proposed algorithm is compared to three other algorithms: the simulated annealing weighted sum, the simulated annealing technique for order preference by similarity to the ideal solution and the Dijkstra algorithm. The weighted sum and technique for order preference by similarity to the ideal solution methods are used to formulate different attributes in the simulated annealing cost function. According to the Sheffield scenario, simulation results show that the improved simulated annealing technique for order preference by similarity to the ideal solution method improves the traffic performance in the presence of congestion by an overall average of 19.22% in terms of travel time, fuel consumption and CO2 emissions as compared to other algorithms; also, similar performance patterns were achieved for the Birmingham test scenario. PMID:27376289

Computer-Assisted Scheduling of Army Unit Training: An Application of Simulated Annealing.

ERIC Educational Resources Information Center

Hart, Roland J.; Goehring, Dwight J.

This report of an ongoing research project intended to provide computer assistance to Army units for the scheduling of training focuses on the feasibility of simulated annealing, a heuristic approach for solving scheduling problems. Following an executive summary and brief introduction, the document is divided into three sections. First, the Army…

A fragment-based approach to the SAMPL3 Challenge

NASA Astrophysics Data System (ADS)

Kulp, John L.; Blumenthal, Seth N.; Wang, Qiang; Bryan, Richard L.; Guarnieri, Frank

2012-05-01

The success of molecular fragment-based design depends critically on the ability to make predictions of binding poses and of affinity ranking for compounds assembled by linking fragments. The SAMPL3 Challenge provides a unique opportunity to evaluate the performance of a state-of-the-art fragment-based design methodology with respect to these requirements. In this article, we present results derived from linking fragments to predict affinity and pose in the SAMPL3 Challenge. The goal is to demonstrate how incorporating different aspects of modeling protein-ligand interactions impact the accuracy of the predictions, including protein dielectric models, charged versus neutral ligands, ΔΔGs solvation energies, and induced conformational stress. The core method is based on annealing of chemical potential in a Grand Canonical Monte Carlo (GC/MC) simulation. By imposing an initially very high chemical potential and then automatically running a sequence of simulations at successively decreasing chemical potentials, the GC/MC simulation efficiently discovers statistical distributions of bound fragment locations and orientations not found reliably without the annealing. This method accounts for configurational entropy, the role of bound water molecules, and results in a prediction of all the locations on the protein that have any affinity for the fragment. Disregarding any of these factors in affinity-rank prediction leads to significantly worse correlation with experimentally-determined free energies of binding. We relate three important conclusions from this challenge as applied to GC/MC: (1) modeling neutral ligands—regardless of the charged state in the active site—produced better affinity ranking than using charged ligands, although, in both cases, the poses were almost exactly overlaid; (2) simulating explicit water molecules in the GC/MC gave better affinity and pose predictions; and (3) applying a ΔΔGs solvation correction further improved the ranking of the neutral ligands. Using the GC/MC method under a variety of parameters in the blinded SAMPL3 Challenge provided important insights to the relevant parameters and boundaries in predicting binding affinities using simulated annealing of chemical potential calculations.

Effect of excimer laser annealing on a-InGaZnO thin-film transistors passivated by solution-processed hybrid passivation layers

NASA Astrophysics Data System (ADS)

Bermundo, Juan Paolo; Ishikawa, Yasuaki; Fujii, Mami N.; Nonaka, Toshiaki; Ishihara, Ryoichi; Ikenoue, Hiroshi; Uraoka, Yukiharu

2016-01-01

We demonstrate the use of excimer laser annealing (ELA) as a low temperature annealing alternative to anneal amorphous InGaZnO (a-IGZO) thin-film transistors (TFTs) passivated by a solution-processed hybrid passivation layer. Usually, a-IGZO is annealed using thermal annealing at high temperatures of up to 400 °C. As an alternative to high temperature thermal annealing, two types of ELA, XeCl (308 nm) and KrF (248 nm) ELA, are introduced. Both ELA types enhanced the electrical characteristics of a-IGZO TFTs leading to a mobility improvement of ~13 cm2 V-1 s-1 and small threshold voltage which varied from ~0-3 V. Furthermore, two-dimensional heat simulation using COMSOL Multiphysics was used to identify possible degradation sites, analyse laser heat localization, and confirm that the substrate temperature is below 50 °C. The two-dimensional heat simulation showed that the substrate temperature remained at very low temperatures, less than 30 °C, during ELA. This implies that any flexible material can be used as the substrate. These results demonstrate the large potential of ELA as a low temperature annealing alternative for already-passivated a-IGZO TFTs.

NMR spectroscopy and molecular modelling studies of nitrosylcobalamin: further evidence that the deprotonated, base-off form is important for nitrosylcobalamin in solution†

PubMed Central

Hassanin, Hanaa A.; Hannibal, Luciana; Jacobsen, Donald W.; Brown, Kenneth L.

2009-01-01

The structure of nitrosylcobalamin (NOCbl) in solution has been studied by NMR spectroscopy and the 1H and 13C NMR spectra have been assigned. 13C and 31P NMR chemical shifts, the UV-vis spectrum of NOCbl and the observed pK base-off value of ~5.1 for NOCbl provide evidence that a significant fraction of NOCbl is present in the base-off, 5,6-dimethylbenzimidazole (DMB) deprotonated, form in solution. NOE-restrained molecular mechanics modelling of base-on NOCbl gave annealed structures with minor conformational differences in the flexible side chains and the nucleotide loop position compared with the X-ray structure. A molecular dynamics simulation at 300 K showed that DMB remains in close proximity to the α face of the corrin in the base-off form of NOCbl. Simulated annealing calculations produced two major conformations of base-off NOCbl. In the first, the DMB is perpendicular to the corrin and its B3 nitrogen is about 3.1 Å away from and pointing directly at the metal ion; in the second the DMB is parallel to and tucked beneath the D ring of the corrin. PMID:19122899

Temperature Scaling Law for Quantum Annealing Optimizers.

PubMed

Albash, Tameem; Martin-Mayor, Victor; Hen, Itay

2017-09-15

Physical implementations of quantum annealing unavoidably operate at finite temperatures. We point to a fundamental limitation of fixed finite temperature quantum annealers that prevents them from functioning as competitive scalable optimizers and show that to serve as optimizers annealer temperatures must be appropriately scaled down with problem size. We derive a temperature scaling law dictating that temperature must drop at the very least in a logarithmic manner but also possibly as a power law with problem size. We corroborate our results by experiment and simulations and discuss the implications of these to practical annealers.

Population annealing with weighted averages: A Monte Carlo method for rough free-energy landscapes

NASA Astrophysics Data System (ADS)

Machta, J.

2010-08-01

The population annealing algorithm introduced by Hukushima and Iba is described. Population annealing combines simulated annealing and Boltzmann weighted differential reproduction within a population of replicas to sample equilibrium states. Population annealing gives direct access to the free energy. It is shown that unbiased measurements of observables can be obtained by weighted averages over many runs with weight factors related to the free-energy estimate from the run. Population annealing is well suited to parallelization and may be a useful alternative to parallel tempering for systems with rough free-energy landscapes such as spin glasses. The method is demonstrated for spin glasses.

Elevated temperature strengthening of a melt spun austenitic steel by TiB2

NASA Technical Reports Server (NTRS)

Michal, G. M.; Glasgow, T. K.; Moore, T. J.

1986-01-01

Mechanical properties of an iron-based alloy containing (by wt pct) 33Ni, 2Al, 6Ti, and 2B (resulting in an alloy containing 10 vol pct TiB2) were evaluated by hardness and tensile testing. The alloy was cast as a ribbon using a dual 'free-jet' variation of Jech et al. (1984) method of chill-block melt-spinning against a copper wheel; to simulate thermal cycles the alloy ribbon would experience during compaction into shapes, various segments of the ribbon were annealed under a vacuum at temperatures ranging from 500 to 1150 C. The results show that maximum strengths at 650 and 760 C were developed in ribbons annealed at 1100 C; in these ribbons an optimal combination of grain coarsening with minimum TiB2 particle growth was observed. However, the elevated-temperature strength of the TiB2-strengthened alloy under optimal annealing conditions was poorer than that of conventional iron-based superalloys strengthened by gamma-prime precipitates.

Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

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

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2015-07-01

Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025more » and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.« less

Optimization of seasonal ARIMA models using differential evolution - simulated annealing (DESA) algorithm in forecasting dengue cases in Baguio City

NASA Astrophysics Data System (ADS)

Addawe, Rizavel C.; Addawe, Joel M.; Magadia, Joselito C.

2016-10-01

Accurate forecasting of dengue cases would significantly improve epidemic prevention and control capabilities. This paper attempts to provide useful models in forecasting dengue epidemic specific to the young and adult population of Baguio City. To capture the seasonal variations in dengue incidence, this paper develops a robust modeling approach to identify and estimate seasonal autoregressive integrated moving average (SARIMA) models in the presence of additive outliers. Since the least squares estimators are not robust in the presence of outliers, we suggest a robust estimation based on winsorized and reweighted least squares estimators. A hybrid algorithm, Differential Evolution - Simulated Annealing (DESA), is used to identify and estimate the parameters of the optimal SARIMA model. The method is applied to the monthly reported dengue cases in Baguio City, Philippines.

Ranking of Prokaryotic Genomes Based on Maximization of Sortedness of Gene Lengths

PubMed Central

Bolshoy, A; Salih, B; Cohen, I; Tatarinova, T

2014-01-01

How variations of gene lengths (some genes become longer than their predecessors, while other genes become shorter and the sizes of these factions are randomly different from organism to organism) depend on organismal evolution and adaptation is still an open question. We propose to rank the genomes according to lengths of their genes, and then find association between the genome rank and variousproperties, such as growth temperature, nucleotide composition, and pathogenicity. This approach reveals evolutionary driving factors. The main purpose of this study is to test effectiveness and robustness of several ranking methods. The selected method of evaluation is measuring of overall sortedness of the data. We have demonstrated that all considered methods give consistent results and Bubble Sort and Simulated Annealing achieve the highest sortedness. Also, Bubble Sort is considerably faster than the Simulated Annealing method. PMID:26146586

Ranking of Prokaryotic Genomes Based on Maximization of Sortedness of Gene Lengths.

PubMed

Bolshoy, A; Salih, B; Cohen, I; Tatarinova, T

How variations of gene lengths (some genes become longer than their predecessors, while other genes become shorter and the sizes of these factions are randomly different from organism to organism) depend on organismal evolution and adaptation is still an open question. We propose to rank the genomes according to lengths of their genes, and then find association between the genome rank and variousproperties, such as growth temperature, nucleotide composition, and pathogenicity. This approach reveals evolutionary driving factors. The main purpose of this study is to test effectiveness and robustness of several ranking methods. The selected method of evaluation is measuring of overall sortedness of the data. We have demonstrated that all considered methods give consistent results and Bubble Sort and Simulated Annealing achieve the highest sortedness. Also, Bubble Sort is considerably faster than the Simulated Annealing method.

GOSA, a simulated annealing-based program for global optimization of nonlinear problems, also reveals transyears

PubMed Central

Czaplicki, Jerzy; Cornélissen, Germaine; Halberg, Franz

2009-01-01

Summary Transyears in biology have been documented thus far by the extended cosinor approach, including linear-nonlinear rhythmometry. We here confirm the existence of transyears by simulated annealing, a method originally developed for a much broader use, but described and introduced herein for validating its application to time series. The method is illustrated both on an artificial test case with known components and on biological data. We provide a table comparing results by the two methods and trust that the procedure will serve the budding sciences of chronobiology (the study of mechanisms underlying biological time structure), chronomics (the mapping of time structures in and around us), and chronobioethics, using the foregoing disciplines to add to concern for illnesses of individuals, and to budding focus on diseases of nations and civilizations. PMID:20414480

Mechanical properties of Inconel 718 and Nickel 201 alloys after thermal histories simulating brazing and high temperature service

NASA Technical Reports Server (NTRS)

James, W. F.

1985-01-01

An experimental investigation was made to evaluate two nickel base alloys (Nickel-201 and Inconel-718) in three heat treated conditions. These conditions were: (1) annealed; (2) after thermal exposure simulating a braze cycle; and (3) after a thermal exposure simulating a braze cycle plus one operational lifetime of high temperature service. For the Nickel-201, two different braze cycle temperatures were evaluated. A braze cycle utilizing a lower braze temperature resulted in less grain growth for Nickel-201 than the standard braze cycle used for joining Nickel-201 to Inconel-718. It was determined, however, that Nickel-201, was marginal for temperatures investigated due to large grain growth. After the thermal exposures described above, the mechanical properties of Nickel-201 were degraded, whereas similar exposure on Inconel-718 actually strengthened the material compared with the annealed condition. The investigation included tensile tests at both room temperature and elevated temperatures, stress-rupture tests, and metallographic examination.

Monte Carlo Simulation Study of Atomic Structure of alnico Permanent Magnets

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Wang, Cai-Zhuang; Ho, Kai-Ming

Lattice Monte Carlo simulation based on quinternary cluster expansion energy model is used to investigate nano-scale structure of alnico alloy, which is considered as a candidate material for rare-earth free high performance permanent magnets, especially for high or elevated temperature applications such as electric motor for vehicles. We observe phase decomposition of the master alnico alloy into FeCo-rich magnetic (α1) and NiAl-rich matrix (α2) phases. Concentrations of Fe and Co in α1 phase and Ni and Al in α2 phase are higher for lower annealing temperature. Ti is residing mostly in the α2 phase. The phase boundary between α1 and α2 phases are quite sharp with only few atomic layers. The α1 phase is in B2 ordering with Fe and Al occupying the α-site and Ni and Co occupying the β-site. The α2 phase is in L21 ordering with Al occupying the 4a-site. The phase composition profile again annealing temperature suggests that lower annealing temperature would improve the magnetism of α2 and diminish the magnetism of α2 phase, hence improve shape anisotropy of α1 phase rods and that of alnico.

Parameter estimation for chaotic systems using a hybrid adaptive cuckoo search with simulated annealing algorithm

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

Sheng, Zheng, E-mail: 19994035@sina.com; Wang, Jun; Zhou, Bihua

2014-03-15

This paper introduces a novel hybrid optimization algorithm to establish the parameters of chaotic systems. In order to deal with the weaknesses of the traditional cuckoo search algorithm, the proposed adaptive cuckoo search with simulated annealing algorithm is presented, which incorporates the adaptive parameters adjusting operation and the simulated annealing operation in the cuckoo search algorithm. Normally, the parameters of the cuckoo search algorithm are kept constant that may result in decreasing the efficiency of the algorithm. For the purpose of balancing and enhancing the accuracy and convergence rate of the cuckoo search algorithm, the adaptive operation is presented tomore » tune the parameters properly. Besides, the local search capability of cuckoo search algorithm is relatively weak that may decrease the quality of optimization. So the simulated annealing operation is merged into the cuckoo search algorithm to enhance the local search ability and improve the accuracy and reliability of the results. The functionality of the proposed hybrid algorithm is investigated through the Lorenz chaotic system under the noiseless and noise condition, respectively. The numerical results demonstrate that the method can estimate parameters efficiently and accurately in the noiseless and noise condition. Finally, the results are compared with the traditional cuckoo search algorithm, genetic algorithm, and particle swarm optimization algorithm. Simulation results demonstrate the effectiveness and superior performance of the proposed algorithm.« less

A Comparison of Techniques for Scheduling Fleets of Earth-Observing Satellites

NASA Technical Reports Server (NTRS)

Globus, Al; Crawford, James; Lohn, Jason; Pryor, Anna

2003-01-01

Earth observing satellite (EOS) scheduling is a complex real-world domain representative of a broad class of over-subscription scheduling problems. Over-subscription problems are those where requests for a facility exceed its capacity. These problems arise in a wide variety of NASA and terrestrial domains and are .XI important class of scheduling problems because such facilities often represent large capital investments. We have run experiments comparing multiple variants of the genetic algorithm, hill climbing, simulated annealing, squeaky wheel optimization and iterated sampling on two variants of a realistically-sized model of the EOS scheduling problem. These are implemented as permutation-based methods; methods that search in the space of priority orderings of observation requests and evaluate each permutation by using it to drive a greedy scheduler. Simulated annealing performs best and random mutation operators outperform our squeaky (more intelligent) operator. Furthermore, taking smaller steps towards the end of the search improves performance.

Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass

DOE PAGES

Wen, Tongqi; Sun, Yang; Ye, Beilin; ...

2018-01-31

In this article, molecular dynamics (MD) simulations are performed to study the structure of Ni 62Nb 38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni 62Nb 38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfectmore » icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.« less

Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass

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

Wen, Tongqi; Sun, Yang; Ye, Beilin

In this article, molecular dynamics (MD) simulations are performed to study the structure of Ni 62Nb 38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni 62Nb 38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfectmore » icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.« less

Cooling rate dependence of structural order in Ni62Nb38 metallic glass

NASA Astrophysics Data System (ADS)

Wen, Tongqi; Sun, Yang; Ye, Beilin; Tang, Ling; Yang, Zejin; Ho, Kai-Ming; Wang, Cai-Zhuang; Wang, Nan

2018-01-01

Molecular dynamics (MD) simulations are performed to study the structure of Ni62Nb38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni62Nb38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfect icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.

The effects of self-interstitial clusters on cascade defect evolution beyond the primary damage state

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

Heinisch, H.L.

1997-04-01

The intracascade evolution of the defect distributions of cascades in copper is investigated using stochastic annealing simulations applied to cascades generated with molecular dynamics (MD). The temperature and energy dependencies of annihilation, clustering and free defect production are determined for individual cascades. The annealing simulation results illustrate the strong influence on intracascade evolution of the defect configuration existing in the primary damage state. Another factor significantly affecting the evolution of the defect distribution is the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. This phenomenon introduces a cascade energy dependence of defect evolution that is apparentmore » only beyond the primary damage state, amplifying the need for further study of the annealing phase of cascade evolution and for performing many more MD cascade simulations at higher energies.« less

Scheduling of hybrid types of machines with two-machine flowshop as the first type and a single machine as the second type

NASA Astrophysics Data System (ADS)

Hsiao, Ming-Chih; Su, Ling-Huey

2018-02-01

This research addresses the problem of scheduling hybrid machine types, in which one type is a two-machine flowshop and another type is a single machine. A job is either processed on the two-machine flowshop or on the single machine. The objective is to determine a production schedule for all jobs so as to minimize the makespan. The problem is NP-hard since the two parallel machines problem was proved to be NP-hard. Simulated annealing algorithms are developed to solve the problem optimally. A mixed integer programming (MIP) is developed and used to evaluate the performance for two SAs. Computational experiments demonstrate the efficiency of the simulated annealing algorithms, the quality of the simulated annealing algorithms will also be reported.

Efficiency of quantum vs. classical annealing in nonconvex learning problems

PubMed Central

Zecchina, Riccardo

2018-01-01

Quantum annealers aim at solving nonconvex optimization problems by exploiting cooperative tunneling effects to escape local minima. The underlying idea consists of designing a classical energy function whose ground states are the sought optimal solutions of the original optimization problem and add a controllable quantum transverse field to generate tunneling processes. A key challenge is to identify classes of nonconvex optimization problems for which quantum annealing remains efficient while thermal annealing fails. We show that this happens for a wide class of problems which are central to machine learning. Their energy landscapes are dominated by local minima that cause exponential slowdown of classical thermal annealers while simulated quantum annealing converges efficiently to rare dense regions of optimal solutions. PMID:29382764

Improve earthquake hypocenter using adaptive simulated annealing inversion in regional tectonic, volcano tectonic, and geothermal observation

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

Ry, Rexha Verdhora, E-mail: rexha.vry@gmail.com; Nugraha, Andri Dian, E-mail: nugraha@gf.itb.ac.id

Observation of earthquakes is routinely used widely in tectonic activity observation, and also in local scale such as volcano tectonic and geothermal activity observation. It is necessary for determining the location of precise hypocenter which the process involves finding a hypocenter location that has minimum error between the observed and the calculated travel times. When solving this nonlinear inverse problem, simulated annealing inversion method can be applied to such global optimization problems, which the convergence of its solution is independent of the initial model. In this study, we developed own program codeby applying adaptive simulated annealing inversion in Matlab environment.more » We applied this method to determine earthquake hypocenter using several data cases which are regional tectonic, volcano tectonic, and geothermal field. The travel times were calculated using ray tracing shooting method. We then compared its results with the results using Geiger’s method to analyze its reliability. Our results show hypocenter location has smaller RMS error compared to the Geiger’s result that can be statistically associated with better solution. The hypocenter of earthquakes also well correlated with geological structure in the study area. Werecommend using adaptive simulated annealing inversion to relocate hypocenter location in purpose to get precise and accurate earthquake location.« less

Short-term prediction of solar energy in Saudi Arabia using automated-design fuzzy logic systems

PubMed Central

2017-01-01

Solar energy is considered as one of the main sources for renewable energy in the near future. However, solar energy and other renewable energy sources have a drawback related to the difficulty in predicting their availability in the near future. This problem affects optimal exploitation of solar energy, especially in connection with other resources. Therefore, reliable solar energy prediction models are essential to solar energy management and economics. This paper presents work aimed at designing reliable models to predict the global horizontal irradiance (GHI) for the next day in 8 stations in Saudi Arabia. The designed models are based on computational intelligence methods of automated-design fuzzy logic systems. The fuzzy logic systems are designed and optimized with two models using fuzzy c-means clustering (FCM) and simulated annealing (SA) algorithms. The first model uses FCM based on the subtractive clustering algorithm to automatically design the predictor fuzzy rules from data. The second model is using FCM followed by simulated annealing algorithm to enhance the prediction accuracy of the fuzzy logic system. The objective of the predictor is to accurately predict next-day global horizontal irradiance (GHI) using previous-day meteorological and solar radiation observations. The proposed models use observations of 10 variables of measured meteorological and solar radiation data to build the model. The experimentation and results of the prediction are detailed where the root mean square error of the prediction was approximately 88% for the second model tuned by simulated annealing compared to 79.75% accuracy using the first model. This results demonstrate a good modeling accuracy of the second model despite that the training and testing of the proposed models were carried out using spatially and temporally independent data. PMID:28806754

Short-term prediction of solar energy in Saudi Arabia using automated-design fuzzy logic systems.

PubMed

Almaraashi, Majid

2017-01-01

Solar energy is considered as one of the main sources for renewable energy in the near future. However, solar energy and other renewable energy sources have a drawback related to the difficulty in predicting their availability in the near future. This problem affects optimal exploitation of solar energy, especially in connection with other resources. Therefore, reliable solar energy prediction models are essential to solar energy management and economics. This paper presents work aimed at designing reliable models to predict the global horizontal irradiance (GHI) for the next day in 8 stations in Saudi Arabia. The designed models are based on computational intelligence methods of automated-design fuzzy logic systems. The fuzzy logic systems are designed and optimized with two models using fuzzy c-means clustering (FCM) and simulated annealing (SA) algorithms. The first model uses FCM based on the subtractive clustering algorithm to automatically design the predictor fuzzy rules from data. The second model is using FCM followed by simulated annealing algorithm to enhance the prediction accuracy of the fuzzy logic system. The objective of the predictor is to accurately predict next-day global horizontal irradiance (GHI) using previous-day meteorological and solar radiation observations. The proposed models use observations of 10 variables of measured meteorological and solar radiation data to build the model. The experimentation and results of the prediction are detailed where the root mean square error of the prediction was approximately 88% for the second model tuned by simulated annealing compared to 79.75% accuracy using the first model. This results demonstrate a good modeling accuracy of the second model despite that the training and testing of the proposed models were carried out using spatially and temporally independent data.

Advantages of Unfair Quantum Ground-State Sampling.

PubMed

Zhang, Brian Hu; Wagenbreth, Gene; Martin-Mayor, Victor; Hen, Itay

2017-04-21

The debate around the potential superiority of quantum annealers over their classical counterparts has been ongoing since the inception of the field. Recent technological breakthroughs, which have led to the manufacture of experimental prototypes of quantum annealing optimizers with sizes approaching the practical regime, have reignited this discussion. However, the demonstration of quantum annealing speedups remains to this day an elusive albeit coveted goal. We examine the power of quantum annealers to provide a different type of quantum enhancement of practical relevance, namely, their ability to serve as useful samplers from the ground-state manifolds of combinatorial optimization problems. We study, both numerically by simulating stoquastic and non-stoquastic quantum annealing processes, and experimentally, using a prototypical quantum annealing processor, the ability of quantum annealers to sample the ground-states of spin glasses differently than thermal samplers. We demonstrate that (i) quantum annealers sample the ground-state manifolds of spin glasses very differently than thermal optimizers (ii) the nature of the quantum fluctuations driving the annealing process has a decisive effect on the final distribution, and (iii) the experimental quantum annealer samples ground-state manifolds significantly differently than thermal and ideal quantum annealers. We illustrate how quantum annealers may serve as powerful tools when complementing standard sampling algorithms.

Hybrid General Pattern Search and Simulated Annealing for Industrail Production Planning Problems

NASA Astrophysics Data System (ADS)

Vasant, P.; Barsoum, N.

2010-06-01

In this paper, the hybridization of GPS (General Pattern Search) method and SA (Simulated Annealing) incorporated in the optimization process in order to look for the global optimal solution for the fitness function and decision variables as well as minimum computational CPU time. The real strength of SA approach been tested in this case study problem of industrial production planning. This is due to the great advantage of SA for being easily escaping from trapped in local minima by accepting up-hill move through a probabilistic procedure in the final stages of optimization process. Vasant [1] in his Ph. D thesis has provided 16 different techniques of heuristic and meta-heuristic in solving industrial production problems with non-linear cubic objective functions, eight decision variables and 29 constraints. In this paper, fuzzy technological problems have been solved using hybrid techniques of general pattern search and simulated annealing. The simulated and computational results are compared to other various evolutionary techniques.

High-temperature annealing of proton irradiated beryllium – A dilatometry-based study

DOE PAGES

Simos, Nikolaos; Elbakhshwan, Mohamed; Zhong, Zhong; ...

2016-04-07

S—200 F grade beryllium has been irradiated with 160 MeV protons up to 1.2 10 20 cm –2 peak fluence and irradiation temperatures in the range of 100–200 °C. To address the effect of proton irradiation on dimensional stability, an important parameter in its consideration in fusion reactor applications, and to simulate high temperature irradiation conditions, multi-stage annealing using high precision dilatometry to temperatures up to 740 °C were conducted in air. X-ray diffraction studies were also performed to compliment the macroscopic thermal study and offer a microscopic view of the irradiation effects on the crystal lattice. The primary objectivemore » was to qualify the competing dimensional change processes occurring at elevated temperatures namely manufacturing defect annealing, lattice parameter recovery, transmutation 4He and 3H diffusion and swelling and oxidation kinetics. Further, quantification of the effect of irradiation dose and annealing temperature and duration on dimensional changes is sought. Here, the study revealed the presence of manufacturing porosity in the beryllium grade, the oxidation acceleration effect of irradiation including the discontinuous character of oxidation advancement, the effect of annealing duration on the recovery of lattice parameters recovery and the triggering temperature for transmutation gas diffusion leading to swelling.« less

Solving a Higgs optimization problem with quantum annealing for machine learning.

PubMed

Mott, Alex; Job, Joshua; Vlimant, Jean-Roch; Lidar, Daniel; Spiropulu, Maria

2017-10-18

The discovery of Higgs-boson decays in a background of standard-model processes was assisted by machine learning methods. The classifiers used to separate signals such as these from background are trained using highly unerring but not completely perfect simulations of the physical processes involved, often resulting in incorrect labelling of background processes or signals (label noise) and systematic errors. Here we use quantum and classical annealing (probabilistic techniques for approximating the global maximum or minimum of a given function) to solve a Higgs-signal-versus-background machine learning optimization problem, mapped to a problem of finding the ground state of a corresponding Ising spin model. We build a set of weak classifiers based on the kinematic observables of the Higgs decay photons, which we then use to construct a strong classifier. This strong classifier is highly resilient against overtraining and against errors in the correlations of the physical observables in the training data. We show that the resulting quantum and classical annealing-based classifier systems perform comparably to the state-of-the-art machine learning methods that are currently used in particle physics. However, in contrast to these methods, the annealing-based classifiers are simple functions of directly interpretable experimental parameters with clear physical meaning. The annealer-trained classifiers use the excited states in the vicinity of the ground state and demonstrate some advantage over traditional machine learning methods for small training datasets. Given the relative simplicity of the algorithm and its robustness to error, this technique may find application in other areas of experimental particle physics, such as real-time decision making in event-selection problems and classification in neutrino physics.

Solving a Higgs optimization problem with quantum annealing for machine learning

NASA Astrophysics Data System (ADS)

Mott, Alex; Job, Joshua; Vlimant, Jean-Roch; Lidar, Daniel; Spiropulu, Maria

2017-10-01

The discovery of Higgs-boson decays in a background of standard-model processes was assisted by machine learning methods. The classifiers used to separate signals such as these from background are trained using highly unerring but not completely perfect simulations of the physical processes involved, often resulting in incorrect labelling of background processes or signals (label noise) and systematic errors. Here we use quantum and classical annealing (probabilistic techniques for approximating the global maximum or minimum of a given function) to solve a Higgs-signal-versus-background machine learning optimization problem, mapped to a problem of finding the ground state of a corresponding Ising spin model. We build a set of weak classifiers based on the kinematic observables of the Higgs decay photons, which we then use to construct a strong classifier. This strong classifier is highly resilient against overtraining and against errors in the correlations of the physical observables in the training data. We show that the resulting quantum and classical annealing-based classifier systems perform comparably to the state-of-the-art machine learning methods that are currently used in particle physics. However, in contrast to these methods, the annealing-based classifiers are simple functions of directly interpretable experimental parameters with clear physical meaning. The annealer-trained classifiers use the excited states in the vicinity of the ground state and demonstrate some advantage over traditional machine learning methods for small training datasets. Given the relative simplicity of the algorithm and its robustness to error, this technique may find application in other areas of experimental particle physics, such as real-time decision making in event-selection problems and classification in neutrino physics.

Assignment Of Finite Elements To Parallel Processors

NASA Technical Reports Server (NTRS)

Salama, Moktar A.; Flower, Jon W.; Otto, Steve W.

1990-01-01

Elements assigned approximately optimally to subdomains. Mapping algorithm based on simulated-annealing concept used to minimize approximate time required to perform finite-element computation on hypercube computer or other network of parallel data processors. Mapping algorithm needed when shape of domain complicated or otherwise not obvious what allocation of elements to subdomains minimizes cost of computation.

Exemplar-Based Clustering via Simulated Annealing

ERIC Educational Resources Information Center

Brusco, Michael J.; Kohn, Hans-Friedrich

2009-01-01

Several authors have touted the p-median model as a plausible alternative to within-cluster sums of squares (i.e., K-means) partitioning. Purported advantages of the p-median model include the provision of "exemplars" as cluster centers, robustness with respect to outliers, and the accommodation of a diverse range of similarity data. We developed…

Selecting Magnet Laminations Recipes Using the Meth-od of Sim-u-la-ted Annealing

NASA Astrophysics Data System (ADS)

Russell, A. D.; Baiod, R.; Brown, B. C.; Harding, D. J.; Martin, P. S.

1997-05-01

The Fermilab Main Injector project is building 344 dipoles using more than 7000 tons of steel. Budget and logistical constraints required that steel production, lamination stamping and magnet fabrication proceed in parallel. There were significant run-to-run variations in the magnetic properties of the steel (Martin, P.S., et al., Variations in the Steel Properties and the Excitation Characteristics of FMI Dipoles, this conference). The large lamination size (>0.5 m coil opening) resulted in variations of gap height due to differences in stress relief in the steel after stamping. To minimize magnet-to-magnet strength and field shape variations the laminations were shuffled based on the available magnetic and mechanical data and assigned to magnets using a computer program based on the method of simulated annealing. The lamination sets selected by the program have produced magnets which easily satisfy the design requirements. Variations of the average magnet gap are an order of magnitude smaller than the variations in lamination gaps. This paper discusses observed gap variations, the program structure and the strength uniformity results.

Discrete-State Simulated Annealing For Traveling-Wave Tube Slow-Wave Circuit Optimization

NASA Technical Reports Server (NTRS)

Wilson, Jeffrey D.; Bulson, Brian A.; Kory, Carol L.; Williams, W. Dan (Technical Monitor)

2001-01-01

Algorithms based on the global optimization technique of simulated annealing (SA) have proven useful in designing traveling-wave tube (TWT) slow-wave circuits for high RF power efficiency. The characteristic of SA that enables it to determine a globally optimized solution is its ability to accept non-improving moves in a controlled manner. In the initial stages of the optimization, the algorithm moves freely through configuration space, accepting most of the proposed designs. This freedom of movement allows non-intuitive designs to be explored rather than restricting the optimization to local improvement upon the initial configuration. As the optimization proceeds, the rate of acceptance of non-improving moves is gradually reduced until the algorithm converges to the optimized solution. The rate at which the freedom of movement is decreased is known as the annealing or cooling schedule of the SA algorithm. The main disadvantage of SA is that there is not a rigorous theoretical foundation for determining the parameters of the cooling schedule. The choice of these parameters is highly problem dependent and the designer needs to experiment in order to determine values that will provide a good optimization in a reasonable amount of computational time. This experimentation can absorb a large amount of time especially when the algorithm is being applied to a new type of design. In order to eliminate this disadvantage, a variation of SA known as discrete-state simulated annealing (DSSA), was recently developed. DSSA provides the theoretical foundation for a generic cooling schedule which is problem independent, Results of similar quality to SA can be obtained, but without the extra computational time required to tune the cooling parameters. Two algorithm variations based on DSSA were developed and programmed into a Microsoft Excel spreadsheet graphical user interface (GUI) to the two-dimensional nonlinear multisignal helix traveling-wave amplifier analysis program TWA3. The algorithms were used to optimize the computed RF efficiency of a TWT by determining the phase velocity profile of the slow-wave circuit. The mathematical theory and computational details of the DSSA algorithms will be presented and results will be compared to those obtained with a SA algorithm.

Visible-infrared micro-spectrometer based on a preaggregated silver nanoparticle monolayer film and an infrared sensor card

NASA Astrophysics Data System (ADS)

Yang, Tao; Peng, Jing-xiao; Ho, Ho-pui; Song, Chun-yuan; Huang, Xiao-li; Zhu, Yong-yuan; Li, Xing-ao; Huang, Wei

2018-01-01

By using a preaggregated silver nanoparticle monolayer film and an infrared sensor card, we demonstrate a miniature spectrometer design that covers a broad wavelength range from visible to infrared with high spectral resolution. The spectral contents of an incident probe beam are reconstructed by solving a matrix equation with a smoothing simulated annealing algorithm. The proposed spectrometer offers significant advantages over current instruments that are based on Fourier transform and grating dispersion, in terms of size, resolution, spectral range, cost and reliability. The spectrometer contains three components, which are used for dispersion, frequency conversion and detection. Disordered silver nanoparticles in dispersion component reduce the fabrication complexity. An infrared sensor card in the conversion component broaden the operational spectral range of the system into visible and infrared bands. Since the CCD used in the detection component provides very large number of intensity measurements, one can reconstruct the final spectrum with high resolution. An additional feature of our algorithm for solving the matrix equation, which is suitable for reconstructing both broadband and narrowband signals, we have adopted a smoothing step based on a simulated annealing algorithm. This algorithm improve the accuracy of the spectral reconstruction.

Compiling Planning into Quantum Optimization Problems: A Comparative Study

DTIC Science & Technology

2015-06-07

and Sipser, M. 2000. Quantum computation by adiabatic evolution. arXiv:quant- ph/0001106. Fikes, R. E., and Nilsson, N. J. 1972. STRIPS: A new...become available: quantum annealing. Quantum annealing is one of the most accessible quantum algorithms for a computer sci- ence audience not versed...in quantum computing because of its close ties to classical optimization algorithms such as simulated annealing. While large-scale universal quantum

Improved mapping of the travelling salesman problem for quantum annealing

NASA Astrophysics Data System (ADS)

Troyer, Matthias; Heim, Bettina; Brown, Ethan; Wecker, David

2015-03-01

We consider the quantum adiabatic algorithm as applied to the travelling salesman problem (TSP). We introduce a novel mapping of TSP to an Ising spin glass Hamiltonian and compare it to previous known mappings. Through direct perturbative analysis, unitary evolution, and simulated quantum annealing, we show this new mapping to be significantly superior. We discuss how this advantage can translate to actual physical implementations of TSP on quantum annealers.

An Introduction to Simulated Annealing

ERIC Educational Resources Information Center

Albright, Brian

2007-01-01

An attempt to model the physical process of annealing lead to the development of a type of combinatorial optimization algorithm that takes on the problem of getting trapped in a local minimum. The author presents a Microsoft Excel spreadsheet that illustrates how this works.

OBJECT KINETIC MONTE CARLO SIMULATIONS OF CASCADE ANNEALING IN TUNGSTEN

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

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2014-03-31

The objective of this work is to study the annealing of primary cascade damage created by primary knock-on atoms (PKAs) of various energies, at various temperatures in bulk tungsten using the object kinetic Monte Carlo (OKMC) method.

Experimental and Numerical Simulations of Phase Transformations Occurring During Continuous Annealing of DP Steel Strips

NASA Astrophysics Data System (ADS)

Wrożyna, Andrzej; Pernach, Monika; Kuziak, Roman; Pietrzyk, Maciej

2016-04-01

Due to their exceptional strength properties combined with good workability the Advanced High-Strength Steels (AHSS) are commonly used in automotive industry. Manufacturing of these steels is a complex process which requires precise control of technological parameters during thermo-mechanical treatment. Design of these processes can be significantly improved by the numerical models of phase transformations. Evaluation of predictive capabilities of models, as far as their applicability in simulation of thermal cycles thermal cycles for AHSS is considered, was the objective of the paper. Two models were considered. The former was upgrade of the JMAK equation while the latter was an upgrade of the Leblond model. The models can be applied to any AHSS though the examples quoted in the paper refer to the Dual Phase (DP) steel. Three series of experimental simulations were performed. The first included various thermal cycles going beyond limitations of the continuous annealing lines. The objective was to validate models behavior in more complex cooling conditions. The second set of tests included experimental simulations of the thermal cycle characteristic for the continuous annealing lines. Capability of the models to describe properly phase transformations in this process was evaluated. The third set included data from the industrial continuous annealing line. Validation and verification of models confirmed their good predictive capabilities. Since it does not require application of the additivity rule, the upgrade of the Leblond model was selected as the better one for simulation of industrial processes in AHSS production.

Enhanced sampling techniques in molecular dynamics simulations of biological systems.

PubMed

Bernardi, Rafael C; Melo, Marcelo C R; Schulten, Klaus

2015-05-01

Molecular dynamics has emerged as an important research methodology covering systems to the level of millions of atoms. However, insufficient sampling often limits its application. The limitation is due to rough energy landscapes, with many local minima separated by high-energy barriers, which govern the biomolecular motion. In the past few decades methods have been developed that address the sampling problem, such as replica-exchange molecular dynamics, metadynamics and simulated annealing. Here we present an overview over theses sampling methods in an attempt to shed light on which should be selected depending on the type of system property studied. Enhanced sampling methods have been employed for a broad range of biological systems and the choice of a suitable method is connected to biological and physical characteristics of the system, in particular system size. While metadynamics and replica-exchange molecular dynamics are the most adopted sampling methods to study biomolecular dynamics, simulated annealing is well suited to characterize very flexible systems. The use of annealing methods for a long time was restricted to simulation of small proteins; however, a variant of the method, generalized simulated annealing, can be employed at a relatively low computational cost to large macromolecular complexes. Molecular dynamics trajectories frequently do not reach all relevant conformational substates, for example those connected with biological function, a problem that can be addressed by employing enhanced sampling algorithms. This article is part of a Special Issue entitled Recent developments of molecular dynamics. Copyright © 2014 Elsevier B.V. All rights reserved.

Molecular dynamics study on splitting of hydrogen-implanted silicon in Smart-Cut® technology

NASA Astrophysics Data System (ADS)

Bing, Wang; Bin, Gu; Rongying, Pan; Sijia, Zhang; Jianhua, Shen

2015-03-01

Defect evolution in a single crystal silicon which is implanted with hydrogen atoms and then annealed is investigated in the present paper by means of molecular dynamics simulation. By introducing defect density based on statistical average, this work aims to quantitatively examine defect nucleation and growth at nanoscale during annealing in Smart-Cut® technology. Research focus is put on the effects of the implantation energy, hydrogen implantation dose and annealing temperature on defect density in the statistical region. It is found that most defects nucleate and grow at the annealing stage, and that defect density increases with the increase of the annealing temperature and the decrease of the hydrogen implantation dose. In addition, the enhancement and the impediment effects of stress field on defect density in the annealing process are discussed. Project supported by the National Natural Science Foundation of China (No. 11372261), the Excellent Young Scientists Supporting Project of Science and Technology Department of Sichuan Province (No. 2013JQ0030), the Supporting Project of Department of Education of Sichuan Province (No. 2014zd3132), the Opening Project of Key Laboratory of Testing Technology for Manufacturing Process, Southwest University of Science and Technology-Ministry of Education (No. 12zxzk02), the Fund of Doctoral Research of Southwest University of Science and Technology (No. 12zx7106), and the Postgraduate Innovation Fund Project of Southwest University of Science and Technology (No. 14ycxjj0121).

Efficient Monte Carlo Methods for Biomolecular Simulations.

NASA Astrophysics Data System (ADS)

Bouzida, Djamal

A new approach to efficient Monte Carlo simulations of biological molecules is presented. By relaxing the usual restriction to Markov processes, we are able to optimize performance while dealing directly with the inhomogeneity and anisotropy inherent in these systems. The advantage of this approach is that we can introduce a wide variety of Monte Carlo moves to deal with complicated motions of the molecule, while maintaining full optimization at every step. This enables the use of a variety of collective rotational moves that relax long-wavelength modes. We were able to show by explicit simulations that the resulting algorithms substantially increase the speed of the simulation while reproducing the correct equilibrium behavior. This approach is particularly intended for simulations of macromolecules, although we expect it to be useful in other situations. The dynamic optimization of the new Monte Carlo methods makes them very suitable for simulated annealing experiments on all systems whose state space is continuous in general, and to the protein folding problem in particular. We introduce an efficient annealing schedule using preferential bias moves. Our simulated annealing experiments yield structures whose free energies were lower than the equilibrated X-ray structure, which leads us to believe that the empirical energy function used does not fully represent the interatomic interactions. Furthermore, we believe that the largest discrepancies involve the solvent effects in particular.

Large Scale Laser Crystallization of Solution-based Alumina-doped Zinc Oxide (AZO) Nanoinks for Highly Transparent Conductive Electrode

PubMed Central

Nian, Qiong; Callahan, Michael; Saei, Mojib; Look, David; Efstathiadis, Harry; Bailey, John; Cheng, Gary J.

2015-01-01

A new method combining aqueous solution printing with UV Laser crystallization (UVLC) and post annealing is developed to deposit highly transparent and conductive Aluminum doped Zinc Oxide (AZO) films. This technique is able to rapidly produce large area AZO films with better structural and optoelectronic properties than most high vacuum deposition, suggesting a potential large-scale manufacturing technique. The optoelectronic performance improvement attributes to UVLC and forming gas annealing (FMG) induced grain boundary density decrease and electron traps passivation at grain boundaries. The physical model and computational simulation developed in this work could be applied to thermal treatment of many other metal oxide films. PMID:26515670

Multiple Simulated Annealing-Molecular Dynamics (MSA-MD) for Conformational Space Search of Peptide and Miniprotein

PubMed Central

Hao, Ge-Fei; Xu, Wei-Fang; Yang, Sheng-Gang; Yang, Guang-Fu

2015-01-01

Protein and peptide structure predictions are of paramount importance for understanding their functions, as well as the interactions with other molecules. However, the use of molecular simulation techniques to directly predict the peptide structure from the primary amino acid sequence is always hindered by the rough topology of the conformational space and the limited simulation time scale. We developed here a new strategy, named Multiple Simulated Annealing-Molecular Dynamics (MSA-MD) to identify the native states of a peptide and miniprotein. A cluster of near native structures could be obtained by using the MSA-MD method, which turned out to be significantly more efficient in reaching the native structure compared to continuous MD and conventional SA-MD simulation. PMID:26492886

Quantum approach to classical statistical mechanics.

PubMed

Somma, R D; Batista, C D; Ortiz, G

2007-07-20

We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t) approximately (pN)/(k(B)logt) and gamma(t) approximately (Nt)(-c/N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed.

Recursive Branching Simulated Annealing Algorithm

NASA Technical Reports Server (NTRS)

Bolcar, Matthew; Smith, J. Scott; Aronstein, David

2012-01-01

This innovation is a variation of a simulated-annealing optimization algorithm that uses a recursive-branching structure to parallelize the search of a parameter space for the globally optimal solution to an objective. The algorithm has been demonstrated to be more effective at searching a parameter space than traditional simulated-annealing methods for a particular problem of interest, and it can readily be applied to a wide variety of optimization problems, including those with a parameter space having both discrete-value parameters (combinatorial) and continuous-variable parameters. It can take the place of a conventional simulated- annealing, Monte-Carlo, or random- walk algorithm. In a conventional simulated-annealing (SA) algorithm, a starting configuration is randomly selected within the parameter space. The algorithm randomly selects another configuration from the parameter space and evaluates the objective function for that configuration. If the objective function value is better than the previous value, the new configuration is adopted as the new point of interest in the parameter space. If the objective function value is worse than the previous value, the new configuration may be adopted, with a probability determined by a temperature parameter, used in analogy to annealing in metals. As the optimization continues, the region of the parameter space from which new configurations can be selected shrinks, and in conjunction with lowering the annealing temperature (and thus lowering the probability for adopting configurations in parameter space with worse objective functions), the algorithm can converge on the globally optimal configuration. The Recursive Branching Simulated Annealing (RBSA) algorithm shares some features with the SA algorithm, notably including the basic principles that a starting configuration is randomly selected from within the parameter space, the algorithm tests other configurations with the goal of finding the globally optimal solution, and the region from which new configurations can be selected shrinks as the search continues. The key difference between these algorithms is that in the SA algorithm, a single path, or trajectory, is taken in parameter space, from the starting point to the globally optimal solution, while in the RBSA algorithm, many trajectories are taken; by exploring multiple regions of the parameter space simultaneously, the algorithm has been shown to converge on the globally optimal solution about an order of magnitude faster than when using conventional algorithms. Novel features of the RBSA algorithm include: 1. More efficient searching of the parameter space due to the branching structure, in which multiple random configurations are generated and multiple promising regions of the parameter space are explored; 2. The implementation of a trust region for each parameter in the parameter space, which provides a natural way of enforcing upper- and lower-bound constraints on the parameters; and 3. The optional use of a constrained gradient- search optimization, performed on the continuous variables around each branch s configuration in parameter space to improve search efficiency by allowing for fast fine-tuning of the continuous variables within the trust region at that configuration point.

Characterization of Novel Thin-Films and Structures for Integrated Circuit and Photovoltaic Applications

NASA Astrophysics Data System (ADS)

Zhao, Zhao

Thin films have been widely used in various applications. This research focuses on the characterization of novel thin films in the integrated circuits and photovoltaic techniques. The ion implanted layer in silicon can be treated as ion implanted thin film, which plays an essential role in the integrated circuits fabrication. Novel rapid annealing methods, i.e. microwave annealing and laser annealing, are conducted to activate ion dopants and repair the damages, and then are compared with the conventional rapid thermal annealing (RTA). In terms of As+ and P+ implanted Si, the electrical and structural characterization confirms that the microwave and laser annealing can achieve more efficient dopant activation and recrystallization than conventional RTA. The efficient dopant activation in microwave annealing is attributed to ion hopping under microwave field, while the liquid phase growth in laser annealing provides its efficient dopant activation. The characterization of dopants diffusion shows no visible diffusion after microwave annealing, some extent of end range of diffusion after RTA, and significant dopant diffusion after laser annealing. For photovoltaic applications, an indium-free novel three-layer thin-film structure (transparent composited electrode (TCE)) is demonstrated as a promising transparent conductive electrode for solar cells. The characterization of TCE mainly focuses on its optical and electrical properties. Transfer matrix method for optical transmittance calculation is validated and proved to be a desirable method for predicting transmittance of TCE containing continuous metal layer, and can estimate the trend of transmittance as the layer thickness changes. TiO2/Ag/TiO2 (TAgT) electrode for organic solar cells (OSCs) is then designed using numerical simulation and shows much higher Haacke figure of merit than indium tin oxide (ITO). In addition, TAgT based OSC shows better performance than ITO based OSC when compatible hole transfer layer is employed. The electrical and structural characterization of hole transfer layers (HTLs) in OSCs reveals MoO3 is the compatible HTL for TAgT anode. In the end, the reactive ink printed Ag film for solar cell contact application is studied by characterizing its electromigration lifetime. A percolative model is proposed and validated for predicting the resistivity and lifetime of printed Ag thin films containing porous structure.

Assessment of MARMOT Grain Growth Model

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

Fromm, B.; Zhang, Y.; Schwen, D.

2015-12-01

This report assesses the MARMOT grain growth model by comparing modeling predictions with experimental results from thermal annealing. The purpose here is threefold: (1) to demonstrate the validation approach of using thermal annealing experiments with non-destructive characterization, (2) to test the reconstruction capability and computation efficiency in MOOSE, and (3) to validate the grain growth model and the associated parameters that are implemented in MARMOT for UO 2. To assure a rigorous comparison, the 2D and 3D initial experimental microstructures of UO 2 samples were characterized using non-destructive Synchrotron x-ray. The same samples were then annealed at 2273K for grainmore » growth, and their initial microstructures were used as initial conditions for simulated annealing at the same temperature using MARMOT. After annealing, the final experimental microstructures were characterized again to compare with the results from simulations. So far, comparison between modeling and experiments has been done for 2D microstructures, and 3D comparison is underway. The preliminary results demonstrated the usefulness of the non-destructive characterization method for MARMOT grain growth model validation. A detailed analysis of the 3D microstructures is in progress to fully validate the current model in MARMOT.« less

Field development planning using simulated annealing - optimal economic well scheduling and placement

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

Beckner, B.L.; Xong, X.

1995-12-31

A method for optimizing the net present value of a full field development by varying the placement and sequence of production wells is presented. This approach is automated and combines an economics package and Mobil`s in-house simulator, PEGASUS, within a simulated annealing optimization engine. A novel framing of the well placement and scheduling problem as a classic {open_quotes}travelling salesman problem{close_quotes} is required before optimization via simulated annealing can be applied practically. An example of a full field development using this technique shows that non-uniform well spacings are optimal (from an NPV standpoint) when the effects of well interference and variablemore » reservoir properties are considered. Examples of optimizing field NPV with variable well costs also show that non-uniform wells spacings are optimal. Project NPV increases of 25 to 30 million dollars were shown using the optimal, nonuniform development versus reasonable, uniform developments. The ability of this technology to deduce these non-uniform well spacings opens up many potential applications that should materially impact the economic performance of field developments.« less

Stamping an AA5754 Train Window Panel with High Dent Resistance Using Locally Annealed Blanks

NASA Astrophysics Data System (ADS)

Piccininni, A.; Guglielmi, P.; Lo Franco, A.; Palumbo, G.

2017-09-01

The warm stamping of an AA5754-H32 window panel for railway vehicles applications has been proposed in the present work. The adoption of increased working temperatures can be surely considered the most effective solution for this alloy to overcome the limited material formability at room temperature [Palumbo et al. “Warm Forming of an AA5754 Component for Railway Vehicle Applications”, Procedia Engineering, Vol. 183, 2017, Pages 351-356] but, in order to improve the overall dent resistance of the component, the initial wrought conditions have been chosen in the present work. The manufacturing of the window panel was thus subdivided into a preliminary local heat treatment (assumed to be performed by laser) to anneal the material and a subsequent warm stamping step using heated tools. The best combination of temperature and holding time able to produce the annealing of the investigated alloy was determined using the physical simulator Gleeble 3180. On the contrary, the warm forming step was designed by means of thermo-mechanical simulations: in order to model the AA5754-H32 blank with annealed regions, an extensive experimental campaign (tensile and formability tests) was conducted using specimens in the annealed (H111) and in the wrought (H32) conditions. Through the numerical approach it was thus possible define: (i) the extent of the annealed regions; (ii) the punch speed to get a sound component.

Galvanizability of Advanced High-Strength Steels 1180TRIP and 1180CP

NASA Astrophysics Data System (ADS)

Kim, M. S.; Kwak, J. H.; Kim, J. S.; Liu, Y. H.; Gao, N.; Tang, N.-Y.

2009-08-01

In general, Si-bearing advanced high-strength steels (AHSS) possess excellent mechanical properties but poor galvanizability. The galvanizability of a transformation-induced plasticity (TRIP) steel 1180TRIP containing 2.2 pct Mn and 1.7 pct Si and a complex phase steel 1180CP containing 2.7 pct Mn and 0.2 pct Si was extensively studied using a galvanizing simulator. The steel coupons were annealed at fixed dew points in the simulator. The surface features of the as-annealed steel coupons, together with galvanized and galvannealed coatings, were carefully examined using a variety of advanced analysis techniques. It was found that various oxides formed on the surface of these steels, depending on the steel composition and on the dew point control. Coating quality was good at 0 °C dew point but deteriorated as the dew point decreased to -35 °C and -65 °C. Based on the findings, guidance was provided for improving galvanizability by adjusting the Mn:Si ratio in steel compositions according to the dew point.

Technique Developed for Optimizing Traveling-Wave Tubes

NASA Technical Reports Server (NTRS)

Wilson, Jeffrey D.

1999-01-01

A traveling-wave tube (TWT) is an electron beam device that is used to amplify electromagnetic communication waves at radio and microwave frequencies. TWT s are critical components in deep-space probes, geosynchronous communication satellites, and high-power radar systems. Power efficiency is of paramount importance for TWT s employed in deep-space probes and communications satellites. Consequently, increasing the power efficiency of TWT s has been the primary goal of the TWT group at the NASA Lewis Research Center over the last 25 years. An in-house effort produced a technique (ref. 1) to design TWT's for optimized power efficiency. This technique is based on simulated annealing, which has an advantage over conventional optimization techniques in that it enables the best possible solution to be obtained (ref. 2). A simulated annealing algorithm was created and integrated into the NASA TWT computer model (ref. 3). The new technique almost doubled the computed conversion power efficiency of a TWT from 7.1 to 13.5 percent (ref. 1).

Grain growth in U–7Mo alloy: A combined first-principles and phase field study

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

Mei, Zhi-Gang; Liang, Linyun; Kim, Yeon Soo

2016-05-01

Grain size is an important factor in controlling the swelling behavior in irradiated U-Mo dispersion fuels. Increasing the grain size in UeMo fuel particles by heat treatment is believed to delay the fuel swelling at high fission density. In this work, a multiscale simulation approach combining first-principles calculation and phase field modeling is used to investigate the grain growth behavior in U-7Mo alloy. The density functional theory based first-principles calculations were used to predict the material properties of U-7Mo alloy. The obtained grain boundary energies were then adopted as an input parameter for mesoscale phase field simulations. The effects ofmore » annealing temperature, annealing time and initial grain structures of fuel particles on the grain growth in U-7Mo alloy were examined. The predicted grain growth rate compares well with the empirical correlation derived from experiments. (C) 2016 Elsevier B.V. All rights reserved.« less

Alternative Zoning Scenarios for Regional Sustainable Land Use Controls in China: A Knowledge-Based Multiobjective Optimisation Model

PubMed Central

Xia, Yin; Liu, Dianfeng; Liu, Yaolin; He, Jianhua; Hong, Xiaofeng

2014-01-01

Alternative land use zoning scenarios provide guidance for sustainable land use controls. This study focused on an ecologically vulnerable catchment on the Loess Plateau in China, proposed a novel land use zoning model, and generated alternative zoning solutions to satisfy the various requirements of land use stakeholders and managers. This model combined multiple zoning objectives, i.e., maximum zoning suitability, maximum planning compatibility and maximum spatial compactness, with land use constraints by using goal programming technique, and employed a modified simulated annealing algorithm to search for the optimal zoning solutions. The land use zoning knowledge was incorporated into the initialisation operator and neighbourhood selection strategy of the simulated annealing algorithm to improve its efficiency. The case study indicates that the model is both effective and robust. Five optimal zoning scenarios of the study area were helpful for satisfying the requirements of land use controls in loess hilly regions, e.g., land use intensification, agricultural protection and environmental conservation. PMID:25170679

Predictive process simulation of cryogenic implants for leading edge transistor design

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

Gossmann, Hans-Joachim; Zographos, Nikolas; Park, Hugh

2012-11-06

Two cryogenic implant TCAD-modules have been developed: (i) A continuum-based compact model targeted towards a TCAD production environment calibrated against an extensive data-set for all common dopants. Ion-specific calibration parameters related to damage generation and dynamic annealing were used and resulted in excellent fits to the calibration data-set. (ii) A Kinetic Monte Carlo (kMC) model including the full time dependence of ion-exposure that a particular spot on the wafer experiences, as well as the resulting temperature vs. time profile of this spot. It was calibrated by adjusting damage generation and dynamic annealing parameters. The kMC simulations clearly demonstrate the importancemore » of the time-structure of the beam for the amorphization process: Assuming an average dose-rate does not capture all of the physics and may lead to incorrect conclusions. The model enables optimization of the amorphization process through tool parameters such as scan speed or beam height.« less

A genetic algorithm-based approach to flexible flow-line scheduling with variable lot sizes.

PubMed

Lee, I; Sikora, R; Shaw, M J

1997-01-01

Genetic algorithms (GAs) have been used widely for such combinatorial optimization problems as the traveling salesman problem (TSP), the quadratic assignment problem (QAP), and job shop scheduling. In all of these problems there is usually a well defined representation which GA's use to solve the problem. We present a novel approach for solving two related problems-lot sizing and sequencing-concurrently using GAs. The essence of our approach lies in the concept of using a unified representation for the information about both the lot sizes and the sequence and enabling GAs to evolve the chromosome by replacing primitive genes with good building blocks. In addition, a simulated annealing procedure is incorporated to further improve the performance. We evaluate the performance of applying the above approach to flexible flow line scheduling with variable lot sizes for an actual manufacturing facility, comparing it to such alternative approaches as pair wise exchange improvement, tabu search, and simulated annealing procedures. The results show the efficacy of this approach for flexible flow line scheduling.

Using and comparing metaheuristic algorithms for optimizing bidding strategy viewpoint of profit maximization of generators

NASA Astrophysics Data System (ADS)

Mousavi, Seyed Hosein; Nazemi, Ali; Hafezalkotob, Ashkan

2015-03-01

With the formation of the competitive electricity markets in the world, optimization of bidding strategies has become one of the main discussions in studies related to market designing. Market design is challenged by multiple objectives that need to be satisfied. The solution of those multi-objective problems is searched often over the combined strategy space, and thus requires the simultaneous optimization of multiple parameters. The problem is formulated analytically using the Nash equilibrium concept for games composed of large numbers of players having discrete and large strategy spaces. The solution methodology is based on a characterization of Nash equilibrium in terms of minima of a function and relies on a metaheuristic optimization approach to find these minima. This paper presents some metaheuristic algorithms to simulate how generators bid in the spot electricity market viewpoint of their profit maximization according to the other generators' strategies, such as genetic algorithm (GA), simulated annealing (SA) and hybrid simulated annealing genetic algorithm (HSAGA) and compares their results. As both GA and SA are generic search methods, HSAGA is also a generic search method. The model based on the actual data is implemented in a peak hour of Tehran's wholesale spot market in 2012. The results of the simulations show that GA outperforms SA and HSAGA on computing time, number of function evaluation and computing stability, as well as the results of calculated Nash equilibriums by GA are less various and different from each other than the other algorithms.

Quantum annealing with all-to-all connected nonlinear oscillators

PubMed Central

Puri, Shruti; Andersen, Christian Kraglund; Grimsmo, Arne L.; Blais, Alexandre

2017-01-01

Quantum annealing aims at solving combinatorial optimization problems mapped to Ising interactions between quantum spins. Here, with the objective of developing a noise-resilient annealer, we propose a paradigm for quantum annealing with a scalable network of two-photon-driven Kerr-nonlinear resonators. Each resonator encodes an Ising spin in a robust degenerate subspace formed by two coherent states of opposite phases. A fully connected optimization problem is mapped to local fields driving the resonators, which are connected with only local four-body interactions. We describe an adiabatic annealing protocol in this system and analyse its performance in the presence of photon loss. Numerical simulations indicate substantial resilience to this noise channel, leading to a high success probability for quantum annealing. Finally, we propose a realistic circuit QED implementation of this promising platform for implementing a large-scale quantum Ising machine. PMID:28593952

Annealing effect of the InAs dot-in-well structure grown by MBE

NASA Astrophysics Data System (ADS)

Zhao, Xuyi; Wang, Peng; Cao, Chunfang; Yan, Jinyi; Zha, Fangxing; Wang, Hailong; Gong, Qian

2017-12-01

We have demonstrated that in situ annealing effect has to be taken into account in order to realize the 1.31 μm InAs quantum dot (QD) lasers with the dot-in-well (DWELL) structure. The photoluminescence (PL) properties have been investigated for the InAs DWELL samples annealed at different temperatures in situ, simulating the annealing process during the growth of the top cladding AlGaAs layer in the laser structure. The QDs with large size in the DWELL structure are vulnerable to the annealing process at temperatures above 550 °C, revealed by the drastic change in the PL spectra. However, the DWELL structure is stable during the annealing process at 540 °C for three hours. The thermal stability of the QDs in the DWELL structure has to be considered in the growth of QD lasers for long wavelength operation.

Investigation of a Sybr-Green-Based Method to Validate DNA Sequences for DNA Computing

DTIC Science & Technology

2005-05-01

OF A SYBR-GREEN-BASED METHOD TO VALIDATE DNA SEQUENCES FOR DNA COMPUTING 6. AUTHOR(S) Wendy Pogozelski, Salvatore Priore, Matthew Bernard ...simulated annealing. Biochemistry, 35, 14077-14089. 15 Pogozelski, W.K., Bernard , M.P. and Macula, A. (2004) DNA code validation using...and Clark, B.F.C. (eds) In RNA Biochemistry and Biotechnology, NATO ASI Series, Kluwer Academic Publishers. Zucker, M. and Stiegler , P. (1981

The GIS map coloring support decision-making system based on case-based reasoning and simulated annealing algorithm

NASA Astrophysics Data System (ADS)

Deng, Shuang; Xiang, Wenting; Tian, Yangge

2009-10-01

Map coloring is a hard task even to the experienced map experts. In the GIS project, usually need to color map according to the customer, which make the work more complex. With the development of GIS, more and more programmers join the project team, which lack the training of cartology, their coloring map are harder to meet the requirements of customer. From the experience, customers with similar background usually have similar tastes for coloring map. So, we developed a GIS color scheme decision-making system which can select color schemes of similar customers from case base for customers to select and adjust. The system is a BS/CS mixed system, the client side use JSP and make it possible for the system developers to go on remote calling of the colors scheme cases in the database server and communicate with customers. Different with general case-based reasoning, even the customers are very similar, their selection may have difference, it is hard to provide a "best" option. So, we select the Simulated Annealing Algorithm (SAA) to arrange the emergence order of different color schemes. Customers can also dynamically adjust certain features colors based on existing case. The result shows that the system can facilitate the communication between the designers and the customers and improve the quality and efficiency of coloring map.

Through-process modelling of texture and anisotropy in AA5182

NASA Astrophysics Data System (ADS)

Crumbach, M.; Neumann, L.; Goerdeler, M.; Aretz, H.; Gottstein, G.; Kopp, R.

2006-07-01

A through-process texture and anisotropy prediction for AA5182 sheet production from hot rolling through cold rolling and annealing is reported. Thermo-mechanical process data predicted by the finite element method (FEM) package T-Pack based on the software LARSTRAN were fed into a combination of physics based microstructure models for deformation texture (GIA), work hardening (3IVM), nucleation texture (ReNuc), and recrystallization texture (StaRT). The final simulated sheet texture was fed into a FEM simulation of cup drawing employing a new concept of interactively updated texture based yield locus predictions. The modelling results of texture development and anisotropy were compared to experimental data. The applicability to other alloys and processes is discussed.

Quantum annealing for combinatorial clustering

NASA Astrophysics Data System (ADS)

Kumar, Vaibhaw; Bass, Gideon; Tomlin, Casey; Dulny, Joseph

2018-02-01

Clustering is a powerful machine learning technique that groups "similar" data points based on their characteristics. Many clustering algorithms work by approximating the minimization of an objective function, namely the sum of within-the-cluster distances between points. The straightforward approach involves examining all the possible assignments of points to each of the clusters. This approach guarantees the solution will be a global minimum; however, the number of possible assignments scales quickly with the number of data points and becomes computationally intractable even for very small datasets. In order to circumvent this issue, cost function minima are found using popular local search-based heuristic approaches such as k-means and hierarchical clustering. Due to their greedy nature, such techniques do not guarantee that a global minimum will be found and can lead to sub-optimal clustering assignments. Other classes of global search-based techniques, such as simulated annealing, tabu search, and genetic algorithms, may offer better quality results but can be too time-consuming to implement. In this work, we describe how quantum annealing can be used to carry out clustering. We map the clustering objective to a quadratic binary optimization problem and discuss two clustering algorithms which are then implemented on commercially available quantum annealing hardware, as well as on a purely classical solver "qbsolv." The first algorithm assigns N data points to K clusters, and the second one can be used to perform binary clustering in a hierarchical manner. We present our results in the form of benchmarks against well-known k-means clustering and discuss the advantages and disadvantages of the proposed techniques.

Experimental demonstration of a quantum annealing algorithm for the traveling salesman problem in a nuclear-magnetic-resonance quantum simulator

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

Chen Hongwei; High Magnetic Field Laboratory, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031; Kong Xi

The method of quantum annealing (QA) is a promising way for solving many optimization problems in both classical and quantum information theory. The main advantage of this approach, compared with the gate model, is the robustness of the operations against errors originated from both external controls and the environment. In this work, we succeed in demonstrating experimentally an application of the method of QA to a simplified version of the traveling salesman problem by simulating the corresponding Schroedinger evolution with a NMR quantum simulator. The experimental results unambiguously yielded the optimal traveling route, in good agreement with the theoretical prediction.

Facile design and stabilization of a novel one-dimensional silicon-based photonic crystal microcavity

NASA Astrophysics Data System (ADS)

Salem, Mohamed Shaker; Ibrahim, Shaimaa Moustafa; Amin, Mohamed

2017-07-01

A novel silicon-based optical microcavity composed of a defect layer sandwiched between two parallel rugate mirrors is created by the electrochemical anodization of silicon in a hydrofluoric acid-based electrolyte using a precisely controlled current density profile. The profile consists of two sinusoidally modulated current waveforms separated by a fixed current that is applied to produce a defect layer between the mirrors. The spectral response of the rugate-based microcavity is simulated using the transfer matrix method and compared to the conventional Bragg-based microcavity. It is found that the resonance position of both microcavities is unchanged. However, the rugate-based microcavity exhibits a distinct reduction of the sidebands' intensity. Further attenuation of the sidebands' intensity is obtained by creating refractive index matching layers with optimized thickness at the bottom and top of the rugate-based microcavity. In order to stabilize the produced microcavity against natural oxidation, atomic layer deposition of an ultra-thin titanium dioxide layer on the pore wall is carried out followed by thermal annealing. The microcavity resonance position shows an observable sensitivity to the deposition and annealing processes.

Stochastic annealing simulations of defect interactions among subcascades

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

Heinisch, H.L.; Singh, B.N.

1997-04-01

The effects of the subcascade structure of high energy cascades on the temperature dependencies of annihilation, clustering and free defect production are investigated. The subcascade structure is simulated by closely spaced groups of lower energy MD cascades. The simulation results illustrate the strong influence of the defect configuration existing in the primary damage state on subsequent intracascade evolution. Other significant factors affecting the evolution of the defect distribution are the large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. Annealing simulations are also performedmore » on high-energy, subcascade-producing cascades generated with the binary collision approximation and calibrated to MD results.« less

Angular filter refractometry analysis using simulated annealing.

PubMed

Angland, P; Haberberger, D; Ivancic, S T; Froula, D H

2017-10-01

Angular filter refractometry (AFR) is a novel technique used to characterize the density profiles of laser-produced, long-scale-length plasmas [Haberberger et al., Phys. Plasmas 21, 056304 (2014)]. A new method of analysis for AFR images was developed using an annealing algorithm to iteratively converge upon a solution. A synthetic AFR image is constructed by a user-defined density profile described by eight parameters, and the algorithm systematically alters the parameters until the comparison is optimized. The optimization and statistical uncertainty calculation is based on the minimization of the χ 2 test statistic. The algorithm was successfully applied to experimental data of plasma expanding from a flat, laser-irradiated target, resulting in an average uncertainty in the density profile of 5%-20% in the region of interest.

Impact of Thermal Annealing on Organic Photovoltaic Cells Using Regioisomeric Donor-Acceptor-Acceptor Molecules.

PubMed

Zhang, Tao; Han, Han; Zou, Yunlong; Lee, Ying-Chi; Oshima, Hiroya; Wong, Ken-Tsung; Holmes, Russell J

2017-08-02

We report a promising set of donor-acceptor-acceptor (D-A-A) electron-donor materials based on coplanar thieno[3,2-b]/[2,3-b]indole, benzo[c][1,2,5]thiadiazole, and dicyanovinylene, which are found to show broadband absorption with high extinction coefficients. The role of the regioisomeric electron-donating thienoindole moiety on the physical and structural properties is examined. Bulk heterojunction (BHJ) organic photovoltaic cells (OPVs) based on the thieno[2,3-b]indole-based electron donor NTU-2, using C 70 as an electron acceptor, show a champion power conversion efficiency of 5.2% under AM 1.5G solar simulated illumination. This efficiency is limited by a low fill factor (FF), as has previously been the case in D-A-A systems. In order to identify the origin of the limited FF, further insight into donor layer charge-transport behavior is realized by examining planar heterojunction OPVs, with emphasis on the evolution of film morphology with thermal annealing. Compared to as-deposited OPVs that exhibit insufficient donor crystallinity, crystalline OPVs based on annealed thin films show an increase in the short-circuit current density, FF, and power conversion efficiency. These results suggest that that the crystallization of D-A-A molecules might not be realized spontaneously at room temperature and that further processing is needed to realize efficient charge transport in these materials.

In situ TEM observation of alpha-particle induced annealing of radiation damage in Durango apatite.

PubMed

Li, Weixing; Shen, Yahui; Zhou, Yueqing; Nan, Shuai; Chen, Chien-Hung; Ewing, Rodney C

2017-10-26

A major issue in thermochronology and U-Th-Pb dating is the effect of radiation damage, created by α-recoils from α-decay events, on the diffusion of radiogenic elements (e.g., He and Pb) in host mineral. Up until now, thermal events have been considered as the only source of energy for the recovery of radiation-damage. However, irradiation, such as from the α-particle of the α-decay event, can itself induce damage recovery. Quantification of radiation-induced recovery caused by α-particles during α-decay events has not been possible, as the recovery process at the atomic-scale has been difficult to observe. Here we present details of the dynamics of the amorphous-to-crystalline transition process during α-particle irradiations using in situ transmission electron microscopy (TEM) and consecutive ion-irradiations: 1 MeV Kr 2+ (simulating α-recoil damage), followed by 400 keV He + (simulating α-particle annealing). Upon the He + irradiation, partial recrystallization of the original, fully-amorphous Durango apatite was clearly evident and quantified based on the gradual appearance of new crystalline domains in TEM images and new diffraction maxima in selected area electron diffraction patterns. Thus, α-particle induced annealing occurs and must be considered in models of α-decay event damage and its effect on the diffusion of radiogenic elements in geochronology and thermochronology.

Hafnium transistor process design for neural interfacing.

PubMed

Parent, David W; Basham, Eric J

2009-01-01

A design methodology is presented that uses 1-D process simulations of Metal Insulator Semiconductor (MIS) structures to design the threshold voltage of hafnium oxide based transistors used for neural recording. The methodology is comprised of 1-D analytical equations for threshold voltage specification, and doping profiles, and 1-D MIS Technical Computer Aided Design (TCAD) to design a process to implement a specific threshold voltage, which minimized simulation time. The process was then verified with a 2-D process/electrical TCAD simulation. Hafnium oxide films (HfO) were grown and characterized for dielectric constant and fixed oxide charge for various annealing temperatures, two important design variables in threshold voltage design.

Comparison between phase field simulations and experimental data from intragranular bubble growth in UO{sub 2}

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

Tonks, M. R.; Biner, S. B.; Mille, P. C.

2013-07-01

In this work, we used the phase field method to simulate the post-irradiation annealing of UO{sub 2} described in the experimental work by Kashibe et al., 1993 [1]. The simulations were carried out in 2D and 3D using the MARMOT FEM-based phase-field modeling framework. The 2-D results compared fairly well with the experiments, in spite of the assumptions made in the model. The 3-D results compare even more favorably to experiments, indicating that diffusion in all three directions must be considered to accurate represent the bubble growth. (authors)

Overall Traveling-Wave-Tube Efficiency Improved By Optimized Multistage Depressed Collector Design

NASA Technical Reports Server (NTRS)

Vaden, Karl R.

2002-01-01

Depressed Collector Design The microwave traveling wave tube (TWT) is used widely for space communications and high-power airborne transmitting sources. One of the most important features in designing a TWT is overall efficiency. Yet, overall TWT efficiency is strongly dependent on the efficiency of the electron beam collector, particularly for high values of collector efficiency. For these reasons, the NASA Glenn Research Center developed an optimization algorithm based on simulated annealing to quickly design highly efficient multistage depressed collectors (MDC's). Simulated annealing is a strategy for solving highly nonlinear combinatorial optimization problems. Its major advantage over other methods is its ability to avoid becoming trapped in local minima. Simulated annealing is based on an analogy to statistical thermodynamics, specifically the physical process of annealing: heating a material to a temperature that permits many atomic rearrangements and then cooling it carefully and slowly, until it freezes into a strong, minimum-energy crystalline structure. This minimum energy crystal corresponds to the optimal solution of a mathematical optimization problem. The TWT used as a baseline for optimization was the 32-GHz, 10-W, helical TWT developed for the Cassini mission to Saturn. The method of collector analysis and design used was a 2-1/2-dimensional computational procedure that employs two types of codes, a large signal analysis code and an electron trajectory code. The large signal analysis code produces the spatial, energetic, and temporal distributions of the spent beam entering the MDC. An electron trajectory code uses the resultant data to perform the actual collector analysis. The MDC was optimized for maximum MDC efficiency and minimum final kinetic energy of all collected electrons (to reduce heat transfer). The preceding figure shows the geometric and electrical configuration of an optimized collector with an efficiency of 93.8 percent. The results show the improvement in collector efficiency from 89.7 to 93.8 percent, resulting in an increase of three overall efficiency points. In addition, the time to design a highly efficient MDC was reduced from a month to a few days. All work was done in-house at Glenn for the High Rate Data Delivery Program. Future plans include optimizing the MDC and TWT interaction circuit in tandem to further improve overall TWT efficiency.

Functionality limit of classical simulated annealing

NASA Astrophysics Data System (ADS)

Hasegawa, M.

2015-09-01

By analyzing the system dynamics in the landscape paradigm, optimization function of classical simulated annealing is reviewed on the random traveling salesman problems. The properly functioning region of the algorithm is experimentally determined in the size-time plane and the influence of its boundary on the scalability test is examined in the standard framework of this method. From both results, an empirical choice of temperature length is plausibly explained as a minimum requirement that the algorithm maintains its scalability within its functionality limit. The study exemplifies the applicability of computational physics analysis to the optimization algorithm research.

Deterministic quantum annealing expectation-maximization algorithm

NASA Astrophysics Data System (ADS)

Miyahara, Hideyuki; Tsumura, Koji; Sughiyama, Yuki

2017-11-01

Maximum likelihood estimation (MLE) is one of the most important methods in machine learning, and the expectation-maximization (EM) algorithm is often used to obtain maximum likelihood estimates. However, EM heavily depends on initial configurations and fails to find the global optimum. On the other hand, in the field of physics, quantum annealing (QA) was proposed as a novel optimization approach. Motivated by QA, we propose a quantum annealing extension of EM, which we call the deterministic quantum annealing expectation-maximization (DQAEM) algorithm. We also discuss its advantage in terms of the path integral formulation. Furthermore, by employing numerical simulations, we illustrate how DQAEM works in MLE and show that DQAEM moderate the problem of local optima in EM.

Anneal-Hardening Behavior of Cr-Fe-C Alloy Deposits Prepared in a Cr3+-Based Bath with Fe2+ Ions

PubMed Central

Huang, Ching An; Chen, Jhih You; Wang, Hai

2017-01-01

Cr-Fe-C alloy deposits were successfully prepared on high-carbon tool steel in a Cr3+-based electroplating bath containing Fe2+ ions and suitable complex agents. A Cr-based alloy deposit was obtained with an electroplating current density higher than 25 Adm−2, and a Fe-based alloy deposit was obtained using a current density of 20 Adm−2. Following electroplating, these alloy deposited specimens were annealed via rapid thermal annealing (RTA) at 500 °C for different periods up to 30 s. The experimental results show that Cr- and Fe-based alloy deposits could be significantly hardened after RTA at 500 °C for a few seconds. The maximum hardness was that of the Cr-Fe-C alloy deposit annealed at 500 °C for 10 s. The maximum hardness of 1205 Hv was detected from the annealed Cr-based alloy deposit prepared with 30 ASD. The hardening mechanism of annealed Cr- and Fe-based alloy deposits is attributed to the precipitation of C-related membranes. The hardness values of the annealed Cr- and Fe-based alloy deposits increase with the increasing degree of crystallization of the C-related membranes. PMID:29206206

Microseismic response characteristics modeling and locating of underground water supply pipe leak

NASA Astrophysics Data System (ADS)

Wang, J.; Liu, J.

2015-12-01

In traditional methods of pipeline leak location, geophones must be located on the pipe wall. If the exact location of the pipeline is unknown, the leaks cannot be identified accurately. To solve this problem, taking into account the characteristics of the pipeline leak, we propose a continuous random seismic source model and construct geological models to investigate the proposed method for locating underground pipeline leaks. Based on two dimensional (2D) viscoacoustic equations and the staggered grid finite-difference (FD) algorithm, the microseismic wave field generated by a leaking pipe is modeled. Cross-correlation analysis and the simulated annealing (SA) algorithm were utilized to obtain the time difference and the leak location. We also analyze and discuss the effect of the number of recorded traces, the survey layout, and the offset and interval of the traces on the accuracy of the estimated location. The preliminary results of the simulation and data field experiment indicate that (1) a continuous random source can realistically represent the leak microseismic wave field in a simulation using 2D visco-acoustic equations and a staggered grid FD algorithm. (2) The cross-correlation method is effective for calculating the time difference of the direct wave relative to the reference trace. However, outside the refraction blind zone, the accuracy of the time difference is reduced by the effects of the refracted wave. (3) The acquisition method of time difference based on the microseismic theory and SA algorithm has a great potential for locating leaks from underground pipelines from an array located on the ground surface. Keywords: Viscoacoustic finite-difference simulation; continuous random source; simulated annealing algorithm; pipeline leak location

Parameterization of annealing kinetics in pharmaceutical glasses.

PubMed

Hodge, Ian M

2013-07-01

Numerical simulations indicate that neglecting the canonical nonlinearity of glassy-state annealing kinetics in pharmaceutical (and other) glasses leads to good KWW fits to the dependence of enthalpy on annealing time, but with spurious KWW parameters that are affected by nonlinearity. A simplified treatment of nonlinearity that uses the Struik shift factor is found to be a useful approximation for these analyses, and can account for previously reported differences between linear and nonlinear KWW parameters (Kawakami K, Pikal MJ. 2005. J Pharm Sci 94:948-965). Copyright © 2013 Wiley Periodicals, Inc.

Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon-metal potential

NASA Astrophysics Data System (ADS)

Xu, Ziwei; Yan, Tianying; Liu, Guiwu; Qiao, Guanjun; Ding, Feng

2015-12-01

To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results.To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06016h

Non-stoquastic Hamiltonians in quantum annealing via geometric phases

NASA Astrophysics Data System (ADS)

Vinci, Walter; Lidar, Daniel A.

2017-09-01

We argue that a complete description of quantum annealing implemented with continuous variables must take into account the non-adiabatic Aharonov-Anandan geometric phase that arises when the system Hamiltonian changes during the anneal. We show that this geometric effect leads to the appearance of non-stoquasticity in the effective quantum Ising Hamiltonians that are typically used to describe quantum annealing with flux qubits. We explicitly demonstrate the effect of this geometric non-stoquasticity when quantum annealing is performed with a system of one and two coupled flux qubits. The realization of non-stoquastic Hamiltonians has important implications from a computational complexity perspective, since it is believed that in many cases quantum annealing with stoquastic Hamiltonians can be efficiently simulated via classical algorithms such as Quantum Monte Carlo. It is well known that the direct implementation of non-stoquastic Hamiltonians with flux qubits is particularly challenging. Our results suggest an alternative path for the implementation of non-stoquasticity via geometric phases that can be exploited for computational purposes.

Simulated annealing algorithm for solving chambering student-case assignment problem

NASA Astrophysics Data System (ADS)

Ghazali, Saadiah; Abdul-Rahman, Syariza

2015-12-01

The problem related to project assignment problem is one of popular practical problem that appear nowadays. The challenge of solving the problem raise whenever the complexity related to preferences, the existence of real-world constraints and problem size increased. This study focuses on solving a chambering student-case assignment problem by using a simulated annealing algorithm where this problem is classified under project assignment problem. The project assignment problem is considered as hard combinatorial optimization problem and solving it using a metaheuristic approach is an advantage because it could return a good solution in a reasonable time. The problem of assigning chambering students to cases has never been addressed in the literature before. For the proposed problem, it is essential for law graduates to peruse in chambers before they are qualified to become legal counselor. Thus, assigning the chambering students to cases is a critically needed especially when involving many preferences. Hence, this study presents a preliminary study of the proposed project assignment problem. The objective of the study is to minimize the total completion time for all students in solving the given cases. This study employed a minimum cost greedy heuristic in order to construct a feasible initial solution. The search then is preceded with a simulated annealing algorithm for further improvement of solution quality. The analysis of the obtained result has shown that the proposed simulated annealing algorithm has greatly improved the solution constructed by the minimum cost greedy heuristic. Hence, this research has demonstrated the advantages of solving project assignment problem by using metaheuristic techniques.

Range Process Simulation Tool

NASA Technical Reports Server (NTRS)

Phillips, Dave; Haas, William; Barth, Tim; Benjamin, Perakath; Graul, Michael; Bagatourova, Olga

2005-01-01

Range Process Simulation Tool (RPST) is a computer program that assists managers in rapidly predicting and quantitatively assessing the operational effects of proposed technological additions to, and/or upgrades of, complex facilities and engineering systems such as the Eastern Test Range. Originally designed for application to space transportation systems, RPST is also suitable for assessing effects of proposed changes in industrial facilities and large organizations. RPST follows a model-based approach that includes finite-capacity schedule analysis and discrete-event process simulation. A component-based, scalable, open architecture makes RPST easily and rapidly tailorable for diverse applications. Specific RPST functions include: (1) definition of analysis objectives and performance metrics; (2) selection of process templates from a processtemplate library; (3) configuration of process models for detailed simulation and schedule analysis; (4) design of operations- analysis experiments; (5) schedule and simulation-based process analysis; and (6) optimization of performance by use of genetic algorithms and simulated annealing. The main benefits afforded by RPST are provision of information that can be used to reduce costs of operation and maintenance, and the capability for affordable, accurate, and reliable prediction and exploration of the consequences of many alternative proposed decisions.

Joint Optimization of Vertical Component Gravity and Seismic P-wave First Arrivals by Simulated Annealing

NASA Astrophysics Data System (ADS)

Louie, J. N.; Basler-Reeder, K.; Kent, G. M.; Pullammanappallil, S. K.

2015-12-01

Simultaneous joint seismic-gravity optimization improves P-wave velocity models in areas with sharp lateral velocity contrasts. Optimization is achieved using simulated annealing, a metaheuristic global optimization algorithm that does not require an accurate initial model. Balancing the seismic-gravity objective function is accomplished by a novel approach based on analysis of Pareto charts. Gravity modeling uses a newly developed convolution algorithm, while seismic modeling utilizes the highly efficient Vidale eikonal equation traveltime generation technique. Synthetic tests show that joint optimization improves velocity model accuracy and provides velocity control below the deepest headwave raypath. Detailed first arrival picking followed by trial velocity modeling remediates inconsistent data. We use a set of highly refined first arrival picks to compare results of a convergent joint seismic-gravity optimization to the Plotrefa™ and SeisOpt® Pro™ velocity modeling packages. Plotrefa™ uses a nonlinear least squares approach that is initial model dependent and produces shallow velocity artifacts. SeisOpt® Pro™ utilizes the simulated annealing algorithm and is limited to depths above the deepest raypath. Joint optimization increases the depth of constrained velocities, improving reflector coherency at depth. Kirchoff prestack depth migrations reveal that joint optimization ameliorates shallow velocity artifacts caused by limitations in refraction ray coverage. Seismic and gravity data from the San Emidio Geothermal field of the northwest Basin and Range province demonstrate that joint optimization changes interpretation outcomes. The prior shallow-valley interpretation gives way to a deep valley model, while shallow antiformal reflectors that could have been interpreted as antiformal folds are flattened. Furthermore, joint optimization provides a clearer image of the rangefront fault. This technique can readily be applied to existing datasets and could replace the existing strategy of forward modeling to match gravity data.

Solving the patient zero inverse problem by using generalized simulated annealing

NASA Astrophysics Data System (ADS)

Menin, Olavo H.; Bauch, Chris T.

2018-01-01

Identifying patient zero - the initially infected source of a given outbreak - is an important step in epidemiological investigations of both existing and emerging infectious diseases. Here, the use of the Generalized Simulated Annealing algorithm (GSA) to solve the inverse problem of finding the source of an outbreak is studied. The classical disease natural histories susceptible-infected (SI), susceptible-infected-susceptible (SIS), susceptible-infected-recovered (SIR) and susceptible-infected-recovered-susceptible (SIRS) in a regular lattice are addressed. Both the position of patient zero and its time of infection are considered unknown. The algorithm performance with respect to the generalization parameter q˜v and the fraction ρ of infected nodes for whom infection was ascertained is assessed. Numerical experiments show the algorithm is able to retrieve the epidemic source with good accuracy, even when ρ is small, but present no evidence to support that GSA performs better than its classical version. Our results suggest that simulated annealing could be a helpful tool for identifying patient zero in an outbreak where not all cases can be ascertained.

Graphene Oxide Annealing Procedures for Graphene-Based Supercapacitors

DTIC Science & Technology

2015-09-01

Annealing Procedures for Graphene-Based Supercapacitors by Louis B Levine and Matthew H Ervin Sensors and Electron Devices Directorate, ARL...SUBTITLE Graphene Oxide Annealing Procedures for Graphene-Based Supercapacitors 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6

Optimal design of minimum mean-square error noise reduction algorithms using the simulated annealing technique.

PubMed

Bai, Mingsian R; Hsieh, Ping-Ju; Hur, Kur-Nan

2009-02-01

The performance of the minimum mean-square error noise reduction (MMSE-NR) algorithm in conjunction with time-recursive averaging (TRA) for noise estimation is found to be very sensitive to the choice of two recursion parameters. To address this problem in a more systematic manner, this paper proposes an optimization method to efficiently search the optimal parameters of the MMSE-TRA-NR algorithms. The objective function is based on a regression model, whereas the optimization process is carried out with the simulated annealing algorithm that is well suited for problems with many local optima. Another NR algorithm proposed in the paper employs linear prediction coding as a preprocessor for extracting the correlated portion of human speech. Objective and subjective tests were undertaken to compare the optimized MMSE-TRA-NR algorithm with several conventional NR algorithms. The results of subjective tests were processed by using analysis of variance to justify the statistic significance. A post hoc test, Tukey's Honestly Significant Difference, was conducted to further assess the pairwise difference between the NR algorithms.

An adaptive evolutionary multi-objective approach based on simulated annealing.

PubMed

Li, H; Landa-Silva, D

2011-01-01

A multi-objective optimization problem can be solved by decomposing it into one or more single objective subproblems in some multi-objective metaheuristic algorithms. Each subproblem corresponds to one weighted aggregation function. For example, MOEA/D is an evolutionary multi-objective optimization (EMO) algorithm that attempts to optimize multiple subproblems simultaneously by evolving a population of solutions. However, the performance of MOEA/D highly depends on the initial setting and diversity of the weight vectors. In this paper, we present an improved version of MOEA/D, called EMOSA, which incorporates an advanced local search technique (simulated annealing) and adapts the search directions (weight vectors) corresponding to various subproblems. In EMOSA, the weight vector of each subproblem is adaptively modified at the lowest temperature in order to diversify the search toward the unexplored parts of the Pareto-optimal front. Our computational results show that EMOSA outperforms six other well established multi-objective metaheuristic algorithms on both the (constrained) multi-objective knapsack problem and the (unconstrained) multi-objective traveling salesman problem. Moreover, the effects of the main algorithmic components and parameter sensitivities on the search performance of EMOSA are experimentally investigated.

Simulated annealing two-point ray tracing

NASA Astrophysics Data System (ADS)

Velis, Danilo R.; Ulrych, Tadeusz J.

We present a new method for solving the two-point seismic ray tracing problem based on Fermat's principle. The algorithm overcomes some well known difficulties that arise in standard ray shooting and bending methods. Problems related to: (1) the selection of new take-off angles, and (2) local minima in multipathing cases, are overcome by using an efficient simulated annealing (SA) algorithm. At each iteration, the ray is propagated from the source by solving a standard initial value problem. The last portion of the raypath is then forced to pass through the receiver. Using SA, the total traveltime is then globally minimized by obtaining the initial conditions that produce the absolute minimum path. The procedure is suitable for tracing rays through 2D complex structures, although it can be extended to deal with 3D velocity media. Not only direct waves, but also reflected and head-waves can be incorporated in the scheme. One important advantage is its simplicity, in as much as any available or user-preferred initial value solver system can be used. A number of clarifying examples of multipathing in 2D media are examined.

Neighbourhood generation mechanism applied in simulated annealing to job shop scheduling problems

NASA Astrophysics Data System (ADS)

Cruz-Chávez, Marco Antonio

2015-11-01

This paper presents a neighbourhood generation mechanism for the job shop scheduling problems (JSSPs). In order to obtain a feasible neighbour with the generation mechanism, it is only necessary to generate a permutation of an adjacent pair of operations in a scheduling of the JSSP. If there is no slack time between the adjacent pair of operations that is permuted, then it is proven, through theory and experimentation, that the new neighbour (schedule) generated is feasible. It is demonstrated that the neighbourhood generation mechanism is very efficient and effective in a simulated annealing.

An efficient and scalable deformable model for virtual reality-based medical applications.

PubMed

Choi, Kup-Sze; Sun, Hanqiu; Heng, Pheng-Ann

2004-09-01

Modeling of tissue deformation is of great importance to virtual reality (VR)-based medical simulations. Considerable effort has been dedicated to the development of interactively deformable virtual tissues. In this paper, an efficient and scalable deformable model is presented for virtual-reality-based medical applications. It considers deformation as a localized force transmittal process which is governed by algorithms based on breadth-first search (BFS). The computational speed is scalable to facilitate real-time interaction by adjusting the penetration depth. Simulated annealing (SA) algorithms are developed to optimize the model parameters by using the reference data generated with the linear static finite element method (FEM). The mechanical behavior and timing performance of the model have been evaluated. The model has been applied to simulate the typical behavior of living tissues and anisotropic materials. Integration with a haptic device has also been achieved on a generic personal computer (PC) platform. The proposed technique provides a feasible solution for VR-based medical simulations and has the potential for multi-user collaborative work in virtual environment.

Analytical Applications of Monte Carlo Techniques.

ERIC Educational Resources Information Center

Guell, Oscar A.; Holcombe, James A.

1990-01-01

Described are analytical applications of the theory of random processes, in particular solutions obtained by using statistical procedures known as Monte Carlo techniques. Supercomputer simulations, sampling, integration, ensemble, annealing, and explicit simulation are discussed. (CW)

Redistribution of phosphorus during Ni0.9Pt0.1-based silicide formation on phosphorus implanted Si substrates

NASA Astrophysics Data System (ADS)

Lemang, M.; Rodriguez, Ph.; Nemouchi, F.; Juhel, M.; Grégoire, M.; Mangelinck, D.

2018-02-01

Phosphorus diffusion and its distribution during the solid-state reactions between Ni0.9Pt0.1 and implanted Si substrates are studied. Silicidation is achieved through a first rapid thermal annealing followed by a selective etching and a direct surface annealing. The redistribution of phosphorus in silicide layers is investigated after the first annealing for different temperatures and after the second annealing. Phosphorus concentration profiles obtained thanks to time of flight secondary ion mass spectrometry and atom probe tomography characterizations for partial and total reactions of the deposited 7 nm thick Ni0.9Pt0.1 film are presented. Phosphorus segregation is observed at the Ni0.9Pt0.1 surface and at Ni2Si interfaces during Ni2Si formation and at the NiSi surface and the NiSi/Si interface after NiSi formation. The phosphorus is evidenced in low concentrations in the Ni2Si and NiSi layers. Once NiSi is formed, a bump in the phosphorus concentration is highlighted in the NiSi layer before the NiSi/Si interface. Based on these profiles, a model for the phosphorus redistribution is proposed to match this bump to the former Ni2Si/Si interface. It also aims to bind the phosphorus segregation and its low concentration in different silicides to a low solubility of phosphorus in Ni2Si and in NiSi and a fast diffusion of phosphorus at their grain boundaries. This model is also substantiated by a simulation using a finite difference method in one dimension.

The mechanical properties and microstructures of vanadium bearing high strength dual phase steels processed with continuous galvanizing line simulations

NASA Astrophysics Data System (ADS)

Gong, Yu

For galvanized or galvannealed steels to be commercially successful, they must exhibit several attributes: (i) easy and inexpensive processing in the hot mill, cold mill and on the coating line, (ii) high strength with good formability and spot weldability, and (iii) good corrosion resistance. At the beginning of this thesis, compositions with a common base but containing various additions of V or Nb with or without high N were designed and subjected to Gleeble simulations of different galvanizing(GI), galvannealing(GA) and supercooling processing. The results revealed the phase balance was strongly influenced by the different microalloying additions, while the strengths of each phase were somewhat less affected. Our research revealed that the amount of austenite formed during intercritical annealing can be strongly influenced by the annealing temperature and the pre-annealing conditions of the hot band (coiling temperature) and cold band (% cold reduction). In the late part of this thesis, the base composition was a low carbon steel which would exhibit good spot weldability. To this steel were added two levels of Cr and Mo for strengthening the ferrite and increasing the hardenability of intercritically formed austenite. Also, these steels were produced with and without the addition of vanadium in an effort to further increase the strength. Since earlier studies revealed a relationship between the nature of the starting cold rolled microstructure and the response to CGL processing, the variables of hot band coiling temperature and level of cold reduction prior to annealing were also studied. Finally, in an effort to increase strength and ductility of both the final sheet (general formability) and the sheared edges of cold punched holes (local formability), a new thermal path was developed that replaced the conventional GI ferrite-martensite microstructure with a new ferrite-martensite-tempered martensite and retained austenite microstructure. The new microstructure exhibited a somewhat lower strength but much high general and local formabilities. In this thesis, both the physical and mechanical metallurgy of these steels and processes will be discussed. This research has shown that simple compositions and processes can result in DP steels with so-called Generation III properties.

[Application of simulated annealing method and neural network on optimizing soil sampling schemes based on road distribution].

PubMed

Han, Zong-wei; Huang, Wei; Luo, Yun; Zhang, Chun-di; Qi, Da-cheng

2015-03-01

Taking the soil organic matter in eastern Zhongxiang County, Hubei Province, as a research object, thirteen sample sets from different regions were arranged surrounding the road network, the spatial configuration of which was optimized by the simulated annealing approach. The topographic factors of these thirteen sample sets, including slope, plane curvature, profile curvature, topographic wetness index, stream power index and sediment transport index, were extracted by the terrain analysis. Based on the results of optimization, a multiple linear regression model with topographic factors as independent variables was built. At the same time, a multilayer perception model on the basis of neural network approach was implemented. The comparison between these two models was carried out then. The results revealed that the proposed approach was practicable in optimizing soil sampling scheme. The optimal configuration was capable of gaining soil-landscape knowledge exactly, and the accuracy of optimal configuration was better than that of original samples. This study designed a sampling configuration to study the soil attribute distribution by referring to the spatial layout of road network, historical samples, and digital elevation data, which provided an effective means as well as a theoretical basis for determining the sampling configuration and displaying spatial distribution of soil organic matter with low cost and high efficiency.

A Geographical Heuristic Routing Protocol for VANETs

PubMed Central

Urquiza-Aguiar, Luis; Tripp-Barba, Carolina; Aguilar Igartua, Mónica

2016-01-01

Vehicular ad hoc networks (VANETs) leverage the communication system of Intelligent Transportation Systems (ITS). Recently, Delay-Tolerant Network (DTN) routing protocols have increased their popularity among the research community for being used in non-safety VANET applications and services like traffic reporting. Vehicular DTN protocols use geographical and local information to make forwarding decisions. However, current proposals only consider the selection of the best candidate based on a local-search. In this paper, we propose a generic Geographical Heuristic Routing (GHR) protocol that can be applied to any DTN geographical routing protocol that makes forwarding decisions hop by hop. GHR includes in its operation adaptations simulated annealing and Tabu-search meta-heuristics, which have largely been used to improve local-search results in discrete optimization. We include a complete performance evaluation of GHR in a multi-hop VANET simulation scenario for a reporting service. Our study analyzes all of the meaningful configurations of GHR and offers a statistical analysis of our findings by means of MANOVA tests. Our results indicate that the use of a Tabu list contributes to improving the packet delivery ratio by around 5% to 10%. Moreover, if Tabu is used, then the simulated annealing routing strategy gets a better performance than the selection of the best node used with carry and forwarding (default operation). PMID:27669254

A Geographical Heuristic Routing Protocol for VANETs.

PubMed

Urquiza-Aguiar, Luis; Tripp-Barba, Carolina; Aguilar Igartua, Mónica

2016-09-23

Vehicular ad hoc networks (VANETs) leverage the communication system of Intelligent Transportation Systems (ITS). Recently, Delay-Tolerant Network (DTN) routing protocols have increased their popularity among the research community for being used in non-safety VANET applications and services like traffic reporting. Vehicular DTN protocols use geographical and local information to make forwarding decisions. However, current proposals only consider the selection of the best candidate based on a local-search. In this paper, we propose a generic Geographical Heuristic Routing (GHR) protocol that can be applied to any DTN geographical routing protocol that makes forwarding decisions hop by hop. GHR includes in its operation adaptations simulated annealing and Tabu-search meta-heuristics, which have largely been used to improve local-search results in discrete optimization. We include a complete performance evaluation of GHR in a multi-hop VANET simulation scenario for a reporting service. Our study analyzes all of the meaningful configurations of GHR and offers a statistical analysis of our findings by means of MANOVA tests. Our results indicate that the use of a Tabu list contributes to improving the packet delivery ratio by around 5% to 10%. Moreover, if Tabu is used, then the simulated annealing routing strategy gets a better performance than the selection of the best node used with carry and forwarding (default operation).

Effect of deposition rate on melting point of copper film catalyst substrate at atomic scale

NASA Astrophysics Data System (ADS)

Marimpul, Rinaldo; Syuhada, Ibnu; Rosikhin, Ahmad; Winata, Toto

2018-03-01

Annealing process of copper film catalyst substrate was studied by molcular dynamics simulation. This copper film catalyst substrate was produced using thermal evaporation method. The annealing process was limited in nanosecond order to observe the mechanism at atomic scale. We found that deposition rate parameter affected the melting point of catalyst substrate. The change of crystalline structure of copper atoms was observed before it had been already at melting point. The optimum annealing temperature was obtained to get the highest percentage of fcc structure on copper film catalyst substrate.

Multi-membership gene regulation in pathway based microarray analysis

PubMed Central

2011-01-01

Background Gene expression analysis has been intensively researched for more than a decade. Recently, there has been elevated interest in the integration of microarray data analysis with other types of biological knowledge in a holistic analytical approach. We propose a methodology that can be facilitated for pathway based microarray data analysis, based on the observation that a substantial proportion of genes present in biochemical pathway databases are members of a number of distinct pathways. Our methodology aims towards establishing the state of individual pathways, by identifying those truly affected by the experimental conditions based on the behaviour of such genes. For that purpose it considers all the pathways in which a gene participates and the general census of gene expression per pathway. Results We utilise hill climbing, simulated annealing and a genetic algorithm to analyse the consistency of the produced results, through the application of fuzzy adjusted rand indexes and hamming distance. All algorithms produce highly consistent genes to pathways allocations, revealing the contribution of genes to pathway functionality, in agreement with current pathway state visualisation techniques, with the simulated annealing search proving slightly superior in terms of efficiency. Conclusions We show that the expression values of genes, which are members of a number of biochemical pathways or modules, are the net effect of the contribution of each gene to these biochemical processes. We show that by manipulating the pathway and module contribution of such genes to follow underlying trends we can interpret microarray results centred on the behaviour of these genes. PMID:21939531

Multi-membership gene regulation in pathway based microarray analysis.

PubMed

Pavlidis, Stelios P; Payne, Annette M; Swift, Stephen M

2011-09-22

Gene expression analysis has been intensively researched for more than a decade. Recently, there has been elevated interest in the integration of microarray data analysis with other types of biological knowledge in a holistic analytical approach. We propose a methodology that can be facilitated for pathway based microarray data analysis, based on the observation that a substantial proportion of genes present in biochemical pathway databases are members of a number of distinct pathways. Our methodology aims towards establishing the state of individual pathways, by identifying those truly affected by the experimental conditions based on the behaviour of such genes. For that purpose it considers all the pathways in which a gene participates and the general census of gene expression per pathway. We utilise hill climbing, simulated annealing and a genetic algorithm to analyse the consistency of the produced results, through the application of fuzzy adjusted rand indexes and hamming distance. All algorithms produce highly consistent genes to pathways allocations, revealing the contribution of genes to pathway functionality, in agreement with current pathway state visualisation techniques, with the simulated annealing search proving slightly superior in terms of efficiency. We show that the expression values of genes, which are members of a number of biochemical pathways or modules, are the net effect of the contribution of each gene to these biochemical processes. We show that by manipulating the pathway and module contribution of such genes to follow underlying trends we can interpret microarray results centred on the behaviour of these genes.

Simulated annealing model of acupuncture

NASA Astrophysics Data System (ADS)

Shang, Charles; Szu, Harold

2015-05-01

The growth control singularity model suggests that acupuncture points (acupoints) originate from organizers in embryogenesis. Organizers are singular points in growth control. Acupuncture can cause perturbation of a system with effects similar to simulated annealing. In clinical trial, the goal of a treatment is to relieve certain disorder which corresponds to reaching certain local optimum in simulated annealing. The self-organizing effect of the system is limited and related to the person's general health and age. Perturbation at acupoints can lead a stronger local excitation (analogous to higher annealing temperature) compared to perturbation at non-singular points (placebo control points). Such difference diminishes as the number of perturbed points increases due to the wider distribution of the limited self-organizing activity. This model explains the following facts from systematic reviews of acupuncture trials: 1. Properly chosen single acupoint treatment for certain disorder can lead to highly repeatable efficacy above placebo 2. When multiple acupoints are used, the result can be highly repeatable if the patients are relatively healthy and young but are usually mixed if the patients are old, frail and have multiple disorders at the same time as the number of local optima or comorbidities increases. 3. As number of acupoints used increases, the efficacy difference between sham and real acupuncture often diminishes. It predicted that the efficacy of acupuncture is negatively correlated to the disease chronicity, severity and patient's age. This is the first biological - physical model of acupuncture which can predict and guide clinical acupuncture research.

Effect of Annealing Treatments on the Microstructure, Mechanical Properties and Corrosion Behavior of Direct Metal Laser Sintered Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Xu, Yangzi; Lu, Yuan; Sundberg, Kristin L.; Liang, Jianyu; Sisson, Richard D.

2017-05-01

An experimental investigation on the effects of post-annealing treatments on the microstructure, mechanical properties and corrosion behavior of direct metal laser sintered Ti-6Al-4V alloys has been conducted. The microstructure and phase evolution as affected by annealing treatment temperature were examined through scanning electron microscopy and x-ray diffraction. The tensile properties and Vickers hardness were measured and compared to the commercial Grade 5 Ti-6Al-4V alloy. Corrosion behavior of the parts was analyzed electrochemically in simulated body fluid at 37 °C. It was found out that the as-printed parts mainly composed of non-equilibrium α' phase. Annealing treatment allowed the transformation from α' to α phase and the development of β phase. The tensile test results indicated that post-annealing treatment could improve the ductility and decrease the strength. The as-printed Ti-6Al-4V part exhibits inferior corrosion resistance compared to the commercial alloy, and post-annealing treatment can reduce its susceptibility to corrosion by reducing the two-phase interface area.

Prediction of the thermal annealing of thick oxide metal-oxide-semiconductor dosimeters irradiated in a harsh radiation environment

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

Ravotti, F.; Glaser, M.; Saigne, F.

Radiation-sensing metal-oxide-semiconductor field-effect transistors produced by the laboratory LAAS-CNRS were exposed to a harsh hadron field that represents the real radiation environment expected at the CERN Large Hadron Collider experiments. The long-term stability of the transistor's I{sub ds}-V{sub gs} characteristic was investigated using the isochronal annealing technique. In this work, devices exposed to high intensity hadron levels ({phi}{>=}10{sup 12} neutrons/cm{sup 2}) show evidences of displacement damages in the I{sub ds}-V{sub gs} annealing behavior. By comparing experimental and simulated results over 14 months, the isochronal annealing method, originally devoted to oxide trapped charge, is shown to enable prediction of the recoverymore » of silicon bulk defects.« less

On the passive and semiconducting behavior of severely deformed pure titanium in Ringer's physiological solution at 37°C: A trial of the point defect model.

PubMed

Ansari, Ghazaleh; Fattah-Alhosseini, Arash

2017-06-01

The effects of sever plastic deformation through multi-pass accumulative roll bonding on the passive and semiconducting behavior of pure titanium is evaluated in Ringer's physiological solution at 37°C in the present paper. Produced results by polarization plots and electrochemical impedance spectroscopy measurements revealed a significant advance in the passive response of the nano-grained sample compared to that of the annealed pure titanium. Also, Mott-Schottky test results of the nano-grained pure titanium represented a lower donor density and reduced flat-band potential in the formed passive film in comparison with the annealed sample. Moreover, based on the Mott-Schottky analysis in conjunction with the point defect model, it was suggested that with increase in formation potential, the calculated donor density of both annealed and nano-grained samples decreases exponentially and the thickness of the passive film linearly increases. These observations were consistent with the point defect model predictions, considering that the point defects within the passive film are metal interstitials, oxygen vacancies, or both. From the viewpoint of passive and semiconducting behavior, nano-grained pure titanium appeared to be more suitable for implant applications in simulate human body environment compared to annealed pure titanium. Copyright © 2017 Elsevier B.V. All rights reserved.

Site- and bond-percolation thresholds in K_{n,n}-based lattices: Vulnerability of quantum annealers to random qubit and coupler failures on chimera topologies.

PubMed

Melchert, O; Katzgraber, Helmut G; Novotny, M A

2016-04-01

We estimate the critical thresholds of bond and site percolation on nonplanar, effectively two-dimensional graphs with chimeralike topology. The building blocks of these graphs are complete and symmetric bipartite subgraphs of size 2n, referred to as K_{n,n} graphs. For the numerical simulations we use an efficient union-find-based algorithm and employ a finite-size scaling analysis to obtain the critical properties for both bond and site percolation. We report the respective percolation thresholds for different sizes of the bipartite subgraph and verify that the associated universality class is that of standard two-dimensional percolation. For the canonical chimera graph used in the D-Wave Systems Inc. quantum annealer (n=4), we discuss device failure in terms of network vulnerability, i.e., we determine the critical fraction of qubits and couplers that can be absent due to random failures prior to losing large-scale connectivity throughout the device.

Engineering on-chip nanoporous gold material libraries via precision photothermal treatment

NASA Astrophysics Data System (ADS)

Chapman, Christopher A. R.; Wang, Ling; Biener, Juergen; Seker, Erkin; Biener, Monika M.; Matthews, Manyalibo J.

2015-12-01

Libraries of nanostructured materials on a single chip are a promising platform for high throughput and combinatorial studies of structure-property relationships in the fields of physics and biology. Nanoporous gold (np-Au), produced by an alloy corrosion process, is a nanostructured material specifically suited for such studies because of its self-similar thermally induced coarsening behavior. However, traditional heat application techniques for the modification of np-Au are bulk processes that cannot be used to generate a library of different pore sizes on a single chip. Here, laser micro-processing offers an attractive solution to this problem by providing a means to apply energy with high spatial and temporal resolution. In the present study we use finite element multiphysics simulations to predict the effects of laser mode (continuous-wave vs. pulsed) and thermal conductivity of the supporting substrate on the local np-Au film temperatures during photothermal annealing. Based on these results we discuss the mechanisms by which the np-Au network is coarsened. Thermal transport simulations predict that continuous-wave mode laser irradiation of np-Au thin films on a silicon substrate supports the widest range of morphologies that can be created through photothermal annealing of np-Au. Using the guidance provided by simulations, we successfully fabricate an on-chip material library consisting of 81 np-Au samples of 9 different morphologies for use in the parallel study of structure-property relationships.Libraries of nanostructured materials on a single chip are a promising platform for high throughput and combinatorial studies of structure-property relationships in the fields of physics and biology. Nanoporous gold (np-Au), produced by an alloy corrosion process, is a nanostructured material specifically suited for such studies because of its self-similar thermally induced coarsening behavior. However, traditional heat application techniques for the modification of np-Au are bulk processes that cannot be used to generate a library of different pore sizes on a single chip. Here, laser micro-processing offers an attractive solution to this problem by providing a means to apply energy with high spatial and temporal resolution. In the present study we use finite element multiphysics simulations to predict the effects of laser mode (continuous-wave vs. pulsed) and thermal conductivity of the supporting substrate on the local np-Au film temperatures during photothermal annealing. Based on these results we discuss the mechanisms by which the np-Au network is coarsened. Thermal transport simulations predict that continuous-wave mode laser irradiation of np-Au thin films on a silicon substrate supports the widest range of morphologies that can be created through photothermal annealing of np-Au. Using the guidance provided by simulations, we successfully fabricate an on-chip material library consisting of 81 np-Au samples of 9 different morphologies for use in the parallel study of structure-property relationships. Electronic supplementary information (ESI) available: Details of sample preparation, fabrication of material libraries, as well as further analysis and supporting scanning electron micrographs can be found in ESI. See DOI: 10.1039/c5nr04580k

Recent progress of quantum annealing

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

Suzuki, Sei

2015-03-10

We review the recent progress of quantum annealing. Quantum annealing was proposed as a method to solve generic optimization problems. Recently a Canadian company has drawn a great deal of attention, as it has commercialized a quantum computer based on quantum annealing. Although the performance of quantum annealing is not sufficiently understood, it is likely that quantum annealing will be a practical method both on a conventional computer and on a quantum computer.

Bayesian Parameter Inference and Model Selection by Population Annealing in Systems Biology

PubMed Central

Murakami, Yohei

2014-01-01

Parameter inference and model selection are very important for mathematical modeling in systems biology. Bayesian statistics can be used to conduct both parameter inference and model selection. Especially, the framework named approximate Bayesian computation is often used for parameter inference and model selection in systems biology. However, Monte Carlo methods needs to be used to compute Bayesian posterior distributions. In addition, the posterior distributions of parameters are sometimes almost uniform or very similar to their prior distributions. In such cases, it is difficult to choose one specific value of parameter with high credibility as the representative value of the distribution. To overcome the problems, we introduced one of the population Monte Carlo algorithms, population annealing. Although population annealing is usually used in statistical mechanics, we showed that population annealing can be used to compute Bayesian posterior distributions in the approximate Bayesian computation framework. To deal with un-identifiability of the representative values of parameters, we proposed to run the simulations with the parameter ensemble sampled from the posterior distribution, named “posterior parameter ensemble”. We showed that population annealing is an efficient and convenient algorithm to generate posterior parameter ensemble. We also showed that the simulations with the posterior parameter ensemble can, not only reproduce the data used for parameter inference, but also capture and predict the data which was not used for parameter inference. Lastly, we introduced the marginal likelihood in the approximate Bayesian computation framework for Bayesian model selection. We showed that population annealing enables us to compute the marginal likelihood in the approximate Bayesian computation framework and conduct model selection depending on the Bayes factor. PMID:25089832

A parallel row-based algorithm with error control for standard-cell replacement on a hypercube multiprocessor

NASA Technical Reports Server (NTRS)

Sargent, Jeff Scott

1988-01-01

A new row-based parallel algorithm for standard-cell placement targeted for execution on a hypercube multiprocessor is presented. Key features of this implementation include a dynamic simulated-annealing schedule, row-partitioning of the VLSI chip image, and two novel new approaches to controlling error in parallel cell-placement algorithms; Heuristic Cell-Coloring and Adaptive (Parallel Move) Sequence Control. Heuristic Cell-Coloring identifies sets of noninteracting cells that can be moved repeatedly, and in parallel, with no buildup of error in the placement cost. Adaptive Sequence Control allows multiple parallel cell moves to take place between global cell-position updates. This feedback mechanism is based on an error bound derived analytically from the traditional annealing move-acceptance profile. Placement results are presented for real industry circuits and the performance is summarized of an implementation on the Intel iPSC/2 Hypercube. The runtime of this algorithm is 5 to 16 times faster than a previous program developed for the Hypercube, while producing equivalent quality placement. An integrated place and route program for the Intel iPSC/2 Hypercube is currently being developed.

First-order design of geodetic networks using the simulated annealing method

NASA Astrophysics Data System (ADS)

Berné, J. L.; Baselga, S.

2004-09-01

The general problem of the optimal design for a geodetic network subject to any extrinsic factors, namely the first-order design problem, can be dealt with as a numeric optimization problem. The classic theory of this problem and the optimization methods are revised. Then the innovative use of the simulated annealing method, which has been successfully applied in other fields, is presented for this classical geodetic problem. This method, belonging to iterative heuristic techniques in operational research, uses a thermodynamical analogy to crystalline networks to offer a solution that converges probabilistically to the global optimum. Basic formulation and some examples are studied.

Optimization of cladding parameters for resisting corrosion on low carbon steels using simulated annealing algorithm

NASA Astrophysics Data System (ADS)

Balan, A. V.; Shivasankaran, N.; Magibalan, S.

2018-04-01

Low carbon steels used in chemical industries are frequently affected by corrosion. Cladding is a surfacing process used for depositing a thick layer of filler metal in a highly corrosive materials to achieve corrosion resistance. Flux cored arc welding (FCAW) is preferred in cladding process due to its augmented efficiency and higher deposition rate. In this cladding process, the effect of corrosion can be minimized by controlling the output responses such as minimizing dilution, penetration and maximizing bead width, reinforcement and ferrite number. This paper deals with the multi-objective optimization of flux cored arc welding responses by controlling the process parameters such as wire feed rate, welding speed, Nozzle to plate distance, welding gun angle for super duplex stainless steel material using simulated annealing technique. Regression equation has been developed and validated using ANOVA technique. The multi-objective optimization of weld bead parameters was carried out using simulated annealing to obtain optimum bead geometry for reducing corrosion. The potentiodynamic polarization test reveals the balanced formation of fine particles of ferrite and autenite content with desensitized nature of the microstructure in the optimized clad bead.

Excess oxygen limited diffusion and precipitation of iron in amorphous silicon dioxide

NASA Astrophysics Data System (ADS)

Leveneur, J.; Langlois, M.; Kennedy, J.; Metson, James B.

2017-10-01

In micro- and nano- electronic device fabrication, and particularly 3D designs, the diffusion of a metal into sublayers during annealing needs to be minimized as it is usually detrimental to device performance. Diffusion also causes the formation and growth of nanoprecipitates in solid matrices. In this paper, the diffusion behavior of low energy, low fluence, ion implanted iron into a thermally grown silicon oxide layer on silicon is investigated. Different ion beam analysis and imaging techniques were used. Magnetization measurements were also undertaken to provide evidence of nanocrystalline ordering. While standard vacuum furnace annealing and electron beam annealing lead to fast diffusion of the implanted species towards the Si/SiO2 interface, we show that furnace annealing in an oxygen rich atmosphere prevents the diffusion of iron that, in turn, limits the growth of the nanoparticles. The diffusion and particle growth is also greatly reduced when oxygen atoms are implanted in the SiO2 prior to Fe implantation, effectively acting as a diffusion barrier. The excess oxygen is hypothesized to trap Fe atoms and reduce their mean free path during the diffusion. Monte-Carlo simulations of the diffusion process which consider the random walk of Fe, Fick's diffusion of O atoms, Fe precipitation, and desorption of the SiO2 layer under the electron beam annealing were performed. Simulation results for the three preparation conditions are found in good agreement with the experimental data.

Depth profiles of oxygen precipitates in nitride-coated silicon wafers subjected to rapid thermal annealing

NASA Astrophysics Data System (ADS)

Voronkov, V. V.; Falster, R.; Kim, TaeHyeong; Park, SoonSung; Torack, T.

2013-07-01

Silicon wafers, coated with a silicon nitride layer and subjected to high temperature Rapid Thermal Annealing (RTA) in Ar, show—upon a subsequent two-step precipitation anneal cycle (such as 800 °C + 1000 °C)—peculiar depth profiles of oxygen precipitate densities. Some profiles are sharply peaked near the wafer surface, sometimes with a zero bulk density. Other profiles are uniform in depth. The maximum density is always the same. These profiles are well reproduced by simulations assuming that precipitation starts from a uniformly distributed small oxide plates originated from RTA step and composed of oxygen atoms and vacancies ("VO2 plates"). During the first step of the precipitation anneal, an oxide layer propagates around this core plate by a process of oxygen attachment, meaning that an oxygen-only ring-shaped plate emerges around the original plate. These rings, depending on their size, then either dissolve or grow during the second part of the anneal leading to a rich variety of density profiles.

Optical network unit placement in Fiber-Wireless (FiWi) access network by Moth-Flame optimization algorithm

NASA Astrophysics Data System (ADS)

Singh, Puja; Prakash, Shashi

2017-07-01

Hybrid wireless-optical broadband access network (WOBAN) or Fiber-Wireless (FiWi) is the integration of wireless access network and optical network. This hybrid multi-domain network adopts the advantages of wireless and optical domains and serves the demand of technology savvy users. FiWi exhibits the properties of cost effectiveness, robustness, flexibility, high capacity, reliability and is self organized. Optical Network Unit (ONU) placement problem in FiWi contributes in simplifying the network design and enhances the performance in terms of cost efficiency and increased throughput. Several individual-based algorithms, such as Simulated Annealing (SA), Tabu Search, etc. have been suggested for ONU placement, but these algorithms suffer from premature convergence (trapping in a local optima). The present research work undertakes the deployment of FiWi and proposes a novel nature-inspired heuristic paradigm called Moth-Flame optimization (MFO) algorithm for multiple optical network units' placement. MFO is a population based algorithm. Population-based algorithms are better in handling local optima avoidance. The simulation results are compared with the existing Greedy and Simulated Annealing algorithms to optimize the position of ONUs. To the best of our knowledge, MFO algorithm has been used for the first time in this domain, moreover it has been able to provide very promising and competitive results. The performance of MFO algorithm has been analyzed by varying the 'b' parameter. MFO algorithm results in faster convergence than the existing strategies of Greedy and SA and returns a lower value of overall cost function. The results exhibit the dependence of the objective function on the distribution of wireless users also.

Quantum Monte Carlo tunneling from quantum chemistry to quantum annealing

NASA Astrophysics Data System (ADS)

Mazzola, Guglielmo; Smelyanskiy, Vadim N.; Troyer, Matthias

2017-10-01

Quantum tunneling is ubiquitous across different fields, from quantum chemical reactions and magnetic materials to quantum simulators and quantum computers. While simulating the real-time quantum dynamics of tunneling is infeasible for high-dimensional systems, quantum tunneling also shows up in quantum Monte Carlo (QMC) simulations, which aim to simulate quantum statistics with resources growing only polynomially with the system size. Here we extend the recent results obtained for quantum spin models [Phys. Rev. Lett. 117, 180402 (2016), 10.1103/PhysRevLett.117.180402], and we study continuous-variable models for proton transfer reactions. We demonstrate that QMC simulations efficiently recover the scaling of ground-state tunneling rates due to the existence of an instanton path, which always connects the reactant state with the product. We discuss the implications of our results in the context of quantum chemical reactions and quantum annealing, where quantum tunneling is expected to be a valuable resource for solving combinatorial optimization problems.

Investigating the enhanced Best Performance Algorithm for Annual Crop Planning problem based on economic factors.

PubMed

Adewumi, Aderemi Oluyinka; Chetty, Sivashan

2017-01-01

The Annual Crop Planning (ACP) problem was a recently introduced problem in the literature. This study further expounds on this problem by presenting a new mathematical formulation, which is based on market economic factors. To determine solutions, a new local search metaheuristic algorithm is investigated which is called the enhanced Best Performance Algorithm (eBPA). eBPA's results are compared against two well-known local search metaheuristic algorithms; these include Tabu Search and Simulated Annealing. The results show the potential of the eBPA for continuous optimization problems.

Development of a Tool for an Efficient Calibration of CORSIM Models

DOT National Transportation Integrated Search

2014-08-01

This project proposes a Memetic Algorithm (MA) for the calibration of microscopic traffic flow simulation models. The proposed MA includes a combination of genetic and simulated annealing algorithms. The genetic algorithm performs the exploration of ...

Monte Carlo simulation of ferroelectric domain growth

NASA Astrophysics Data System (ADS)

Li, B. L.; Liu, X. P.; Fang, F.; Zhu, J. L.; Liu, J.-M.

2006-01-01

The kinetics of two-dimensional isothermal domain growth in a quenched ferroelectric system is investigated using Monte Carlo simulation based on a realistic Ginzburg-Landau ferroelectric model with cubic-tetragonal (square-rectangle) phase transitions. The evolution of the domain pattern and domain size with annealing time is simulated, and the stability of trijunctions and tetrajunctions of domain walls is analyzed. It is found that in this much realistic model with strong dipole alignment anisotropy and long-range Coulomb interaction, the powerlaw for normal domain growth still stands applicable. Towards the late stage of domain growth, both the average domain area and reciprocal density of domain wall junctions increase linearly with time, and the one-parameter dynamic scaling of the domain growth is demonstrated.

Coupling of atom-by-atom calculations of extended defects with B kick-out equations: application to the simulation of boron ted

NASA Astrophysics Data System (ADS)

Lampin, E.; Cristiano, F.; Lamrani, Y.; Colombeau, B.

2004-02-01

We present simulations of B TED based on a complete calculation of the extended defect growth/shrinkage during annealing. The Si self-interstitial supersaturation calculated at the extended defect depth is coupled to the set of equations for the B kick-out diffusion through a generation/recombination term in the diffusion equation of the Si self-interstitials. The simulations are compared to the measurements performed on a Si wafer containing several B marker layers, where the amount of TED varies from one peak to the other. The good agreement obtained on this experiment is very promising for the application of these calculations to the case of ultra-shallow B + implants.

Combining gait optimization with passive system to increase the energy efficiency of a humanoid robot walking movement

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

Pereira, Ana I.; ALGORITMI,University of Minho; Lima, José

There are several approaches to create the Humanoid robot gait planning. This problem presents a large number of unknown parameters that should be found to make the humanoid robot to walk. Optimization in simulation models can be used to find the gait based on several criteria such as energy minimization, acceleration, step length among the others. The energy consumption can also be reduced with elastic elements coupled to each joint. The presented paper addresses an optimization method, the Stretched Simulated Annealing, that runs in an accurate and stable simulation model to find the optimal gait combined with elastic elements. Finalmore » results demonstrate that optimization is a valid gait planning technique.« less

Computer simulations of melts of randomly branching polymers

NASA Astrophysics Data System (ADS)

Rosa, Angelo; Everaers, Ralf

2016-10-01

Randomly branching polymers with annealed connectivity are model systems for ring polymers and chromosomes. In this context, the branched structure represents transient folding induced by topological constraints. Here we present computer simulations of melts of annealed randomly branching polymers of 3 ≤ N ≤ 1800 segments in d = 2 and d = 3 dimensions. In all cases, we perform a detailed analysis of the observed tree connectivities and spatial conformations. Our results are in excellent agreement with an asymptotic scaling of the average tree size of R ˜ N1/d, suggesting that the trees behave as compact, territorial fractals. The observed swelling relative to the size of ideal trees, R ˜ N1/4, demonstrates that excluded volume interactions are only partially screened in melts of annealed trees. Overall, our results are in good qualitative agreement with the predictions of Flory theory. In particular, we find that the trees swell by the combination of modified branching and path stretching. However, the former effect is subdominant and difficult to detect in d = 3 dimensions.

The Hunt Opinion Model—An Agent Based Approach to Recurring Fashion Cycles

PubMed Central

Apriasz, Rafał; Krueger, Tyll; Marcjasz, Grzegorz; Sznajd-Weron, Katarzyna

2016-01-01

We study a simple agent-based model of the recurring fashion cycles in the society that consists of two interacting communities: “snobs” and “followers” (or “opinion hunters”, hence the name of the model). Followers conform to all other individuals, whereas snobs conform only to their own group and anticonform to the other. The model allows to examine the role of the social structure, i.e. the influence of the number of inter-links between the two communities, as well as the role of the stability of links. The latter is accomplished by considering two versions of the same model—quenched (parameterized by fraction L of fixed inter-links) and annealed (parameterized by probability p that a given inter-link exists). Using Monte Carlo simulations and analytical treatment (the latter only for the annealed model), we show that there is a critical fraction of inter-links, above which recurring cycles occur. For p ≤ 0.5 we derive a relation between parameters L and p that allows to compare both models and show that the critical value of inter-connections, p*, is the same for both versions of the model (annealed and quenched) but the period of a fashion cycle is shorter for the quenched model. Near the critical point, the cycles are irregular and a change of fashion is difficult to predict. For the annealed model we also provide a deeper theoretical analysis. We conjecture on topological grounds that the so-called saddle node heteroclinic bifurcation appears at p*. For p ≥ 0.5 we show analytically the existence of the second critical value of p, for which the system undergoes Hopf’s bifurcation. PMID:27835679

The Hunt Opinion Model-An Agent Based Approach to Recurring Fashion Cycles.

PubMed

Apriasz, Rafał; Krueger, Tyll; Marcjasz, Grzegorz; Sznajd-Weron, Katarzyna

2016-01-01

We study a simple agent-based model of the recurring fashion cycles in the society that consists of two interacting communities: "snobs" and "followers" (or "opinion hunters", hence the name of the model). Followers conform to all other individuals, whereas snobs conform only to their own group and anticonform to the other. The model allows to examine the role of the social structure, i.e. the influence of the number of inter-links between the two communities, as well as the role of the stability of links. The latter is accomplished by considering two versions of the same model-quenched (parameterized by fraction L of fixed inter-links) and annealed (parameterized by probability p that a given inter-link exists). Using Monte Carlo simulations and analytical treatment (the latter only for the annealed model), we show that there is a critical fraction of inter-links, above which recurring cycles occur. For p ≤ 0.5 we derive a relation between parameters L and p that allows to compare both models and show that the critical value of inter-connections, p*, is the same for both versions of the model (annealed and quenched) but the period of a fashion cycle is shorter for the quenched model. Near the critical point, the cycles are irregular and a change of fashion is difficult to predict. For the annealed model we also provide a deeper theoretical analysis. We conjecture on topological grounds that the so-called saddle node heteroclinic bifurcation appears at p*. For p ≥ 0.5 we show analytically the existence of the second critical value of p, for which the system undergoes Hopf's bifurcation.

PWHT effect on the mechanical properties of borated stainless steel GTA weldments for nuclear shield

NASA Astrophysics Data System (ADS)

Park, T.-D.; Baek, K.-K.; Kim, D.-S.

1997-02-01

To improve ductility of the welded joint of B-added austenitic stainless steels, postweld annealing effect has been studied. Gas Tungsten Arc (GTA) welds of AlSI 304-B3 stainless steel plates were annealed either at 700 1100°C for 1 hour or at 1100°C and 1200°C, for 1 7 hours. Bending test of the welds in as-welded and annealed conditions resulted in cracks propagated along the welds' fusion line except the one annealed at 1200°C, which revealed no cracks. Tensile elongations of the as-welded and annealed welds at the temperature up to 1000°C were only a half value of the base metal, whereas the welds annealed at 1200°C had fully recovered the original elongation of the base metal. Charpy impact test result exhibited the same tendency with annealing temperature. Elongated and accicular morphology of Y-(Cr, Fe)2B eutectic phase at the Partially Melted Heat Affected Zone (P.M.HAZ) of welds seemed to be responsible for the poor ductility of the welds. The welds annealed at 1200°C for various durations, on the other hand, showed fully spheroidized eutectic phases at the P.M.HAZ with its size increased with annealing durations, suggesting that postweld annealing at the temperature as high as 1200°C is required for the welds to have ductility matching that of base metal.

Forming an age hardenable aluminum alloy with intermediate annealing

NASA Astrophysics Data System (ADS)

Wang, Kaifeng; Carsley, John E.; Stoughton, Thomas B.; Li, Jingjing; Zhang, Lianhong; He, Baiyan

2013-12-01

A method to improve formability of aluminum sheet alloys by a two-stage stamping process with intermediate annealing was developed for a non-age hardenable Al-Mg alloy where the annealing heat treatment provided recovery of cold work from the initial stamping and recrystallization of the microstructure to enhance the forming limits of the material. This method was extended to an age hardenable, Al-Mg-Si alloy, which is complicated by the competing metallurgical effects during heat treatment including recovery (softening effect) vs. precipitation (hardening effect). An annealing heat treatment process condition was discovered wherein the stored strain energy from an initial plastic deformation can be sufficiently recovered to enhance formability in a second deformation; however, there is a deleterious effect on subsequent precipitation hardening. The improvement in formability was quantified with uniaxial tensile tests as well as with the forming limit diagram. Since strain-based forming limit curves (FLC) are sensitive to pre-strain history, both stress-based FLCs and polar-effective-plastic-strain (PEPS) FLCs, which are path-independent, were used to evaluate the forming limits after preform annealing. A technique was developed to calculate the stress-based FLC in which a residual-effective-plastic-strain (REPS) was determined by overlapping the hardening curve of the pre-strained and annealed material with that of the simply-annealed- material. After converting the strain-based FLCs using the constant REPS method, it was found that the stress-based FLCs and the PEPS FLCs of the post-annealed materials were quite similar and both tools are applicable for evaluating the forming limits of Al-Mg-Si alloys for a two-step stamping process with intermediate annealing.

Computational Thermodynamics Characterization of 7075, 7039, and 7020 Aluminum Alloys Using JMatPro

DTIC Science & Technology

2011-09-01

parameters of temperature and time may be selected to simulate effects on microstructure during annealing , solution treating, quenching, and tempering...nucleation may be taken into account by use of a wetting angle function. Activation energy may be taken into account for rapidly quenched alloys...the stable forms of precipitates that result from solutionizing, annealing or intermediate heat treatment, and phase formation during nonequilibrium

A modular tooling set-up for incremental sheet forming (ISF) with subsequent stress-relief annealing under partial constraints

NASA Astrophysics Data System (ADS)

Maqbool, Fawad; Bambach, Markus

2017-10-01

Incremental sheet forming (ISF) is a manufacturing process most suitable for small-batch production of sheet metal parts. In ISF, a CNC-controlled tool moves over the sheet metal, following a specified contour to form a part of the desired geometry. This study focuses on one of the dominant process limitations associated with the ISF, i.e., the limited geometrical accuracy. In this regard, a case study is performed which shows that increased geometrical accuracy of the formed part can be achieved by a using stress-relief annealing before unclamping. To keep the tooling costs low, a modular die design consisting of a stiff metal frame and inserts made from inexpensive plastics (Sika®) were devised. After forming, the plastics inserts are removed. The metal frame supports the part during stress-relief annealing. Finite Element (FE) simulations of the manufacturing process are performed. Due to the residual stresses induced during the forming, the geometry of the formed part, from FE simulation and the actual manufacturing process, shows severe distortion upon unclamping the part. Stress relief annealing of the formed part under partial constraints exerted by the tool frame shows that a part with high geometrical accuracy can be obtained.

Microstructure and Property Modifications of Cold Rolled IF Steel by Local Laser Annealing

NASA Astrophysics Data System (ADS)

Hallberg, Håkan; Adamski, Frédéric; Baïz, Sarah; Castelnau, Olivier

2017-10-01

Laser annealing experiments are performed on cold rolled IF steel whereby highly localized microstructure and property modification are achieved. The microstructure is seen to develop by strongly heterogeneous recrystallization to provide steep gradients, across the submillimeter scale, of grain size and crystallographic texture. Hardness mapping by microindentation is used to reveal the corresponding gradients in macroscopic properties. A 2D level set model of the microstructure development is established as a tool to further optimize the method and to investigate, for example, the development of grain size variations due to the strong and transient thermal gradient. Particular focus is given to the evolution of the beneficial γ-fiber texture during laser annealing. The simulations indicate that the influence of selective growth based on anisotropic grain boundary properties only has a minor effect on texture evolution compared to heterogeneous stored energy, temperature variations, and nucleation conditions. It is also shown that although the α-fiber has an initial frequency advantage, the higher probability of γ-nucleation, in combination with a higher stored energy driving force in this fiber, promotes a stronger presence of the γ-fiber as also observed in experiments.

De novo protein structure prediction by dynamic fragment assembly and conformational space annealing.

PubMed

Lee, Juyong; Lee, Jinhyuk; Sasaki, Takeshi N; Sasai, Masaki; Seok, Chaok; Lee, Jooyoung

2011-08-01

Ab initio protein structure prediction is a challenging problem that requires both an accurate energetic representation of a protein structure and an efficient conformational sampling method for successful protein modeling. In this article, we present an ab initio structure prediction method which combines a recently suggested novel way of fragment assembly, dynamic fragment assembly (DFA) and conformational space annealing (CSA) algorithm. In DFA, model structures are scored by continuous functions constructed based on short- and long-range structural restraint information from a fragment library. Here, DFA is represented by the full-atom model by CHARMM with the addition of the empirical potential of DFIRE. The relative contributions between various energy terms are optimized using linear programming. The conformational sampling was carried out with CSA algorithm, which can find low energy conformations more efficiently than simulated annealing used in the existing DFA study. The newly introduced DFA energy function and CSA sampling algorithm are implemented into CHARMM. Test results on 30 small single-domain proteins and 13 template-free modeling targets of the 8th Critical Assessment of protein Structure Prediction show that the current method provides comparable and complementary prediction results to existing top methods. Copyright © 2011 Wiley-Liss, Inc.

Characterization of the probabilistic traveling salesman problem.

PubMed

Bowler, Neill E; Fink, Thomas M A; Ball, Robin C

2003-09-01

We show that stochastic annealing can be successfully applied to gain new results on the probabilistic traveling salesman problem. The probabilistic "traveling salesman" must decide on an a priori order in which to visit n cities (randomly distributed over a unit square) before learning that some cities can be omitted. We find the optimized average length of the pruned tour follows E(L(pruned))=sqrt[np](0.872-0.105p)f(np), where p is the probability of a city needing to be visited, and f(np)-->1 as np--> infinity. The average length of the a priori tour (before omitting any cities) is found to follow E(L(a priori))=sqrt[n/p]beta(p), where beta(p)=1/[1.25-0.82 ln(p)] is measured for 0.05< or =p< or =0.6. Scaling arguments and indirect measurements suggest that beta(p) tends towards a constant for p<0.03. Our stochastic annealing algorithm is based on limited sampling of the pruned tour lengths, exploiting the sampling error to provide the analog of thermal fluctuations in simulated (thermal) annealing. The method has general application to the optimization of functions whose cost to evaluate rises with the precision required.

a Comparison of Simulated Annealing, Genetic Algorithm and Particle Swarm Optimization in Optimal First-Order Design of Indoor Tls Networks

NASA Astrophysics Data System (ADS)

Jia, F.; Lichti, D.

2017-09-01

The optimal network design problem has been well addressed in geodesy and photogrammetry but has not received the same attention for terrestrial laser scanner (TLS) networks. The goal of this research is to develop a complete design system that can automatically provide an optimal plan for high-accuracy, large-volume scanning networks. The aim in this paper is to use three heuristic optimization methods, simulated annealing (SA), genetic algorithm (GA) and particle swarm optimization (PSO), to solve the first-order design (FOD) problem for a small-volume indoor network and make a comparison of their performances. The room is simplified as discretized wall segments and possible viewpoints. Each possible viewpoint is evaluated with a score table representing the wall segments visible from each viewpoint based on scanning geometry constraints. The goal is to find a minimum number of viewpoints that can obtain complete coverage of all wall segments with a minimal sum of incidence angles. The different methods have been implemented and compared in terms of the quality of the solutions, runtime and repeatability. The experiment environment was simulated from a room located on University of Calgary campus where multiple scans are required due to occlusions from interior walls. The results obtained in this research show that PSO and GA provide similar solutions while SA doesn't guarantee an optimal solution within limited iterations. Overall, GA is considered as the best choice for this problem based on its capability of providing an optimal solution and fewer parameters to tune.

Medium range order in aluminum-based metallic glasses

NASA Astrophysics Data System (ADS)

Yi, Feng

2011-12-01

Medium range order (MRO) is the structure order existing between the short range order and long range order in amorphous materials. Fluctuation electron microscopy (FEM) is an effective method to quantify MRO. The FEM signal depends on several effects. In this thesis, I will show how the probe coherence, sample thickness and energy filter affect the FEM signal. We have found that microalloying in Al-based glass has dramatic effect on the primary crystallization temperature and nanocrystal density after annealing treatment. FEM alone cannot uncover the details of MRO in these alloys. Therefore, I resort to modeling to solve the relationship between the variance signal and MRO structure. I improved Stratton and Voyles's analytical model. I also did computer simulation. I explored the effects of thermal disorder and hydrostatic strain on the variance. The extracted size d and volume fraction phi in Al88Y7Fe5, Al88Y6Fe 5Cu1 and Al87Y7Fe5Cu 1 as-spun samples reveals the relationship between MRO in as-quenched sample and thermal behaviors in these alloys. I also did FEM experiments in relaxed Al88Y7Fe 5 samples at various annealing times. MRO structure in these samples does not change. FEM was also done on Al87Y7Fe5Cu 1 to check MRO variation during transient nucleation period. The extracted (d, phi) based on combination of experimental data and simulation shows how MRO changes during this period.

Annealing of Solar Cells and Other Thin Film Devices

NASA Technical Reports Server (NTRS)

Escobar, Hector; Kuhlman, Franz; Dils, D. W.; Lush, G. B.; Mackey, Willie R. (Technical Monitor)

2001-01-01

Annealing is a key step in most semiconductor fabrication processes, especially for thin films where annealing enhances performance by healing defects and increasing grain sizes. We have employed a new annealing oven for the annealing of CdTe-based solar cells and have been using this system in an attempt to grow US on top of CdTe by annealing in the presence of H2S gas. Preliminary results of this process on CdTe solar cells and other thin-film devices will be presented.

Capacity improvement using simulation optimization approaches: A case study in the thermotechnology industry

NASA Astrophysics Data System (ADS)

Yelkenci Köse, Simge; Demir, Leyla; Tunalı, Semra; Türsel Eliiyi, Deniz

2015-02-01

In manufacturing systems, optimal buffer allocation has a considerable impact on capacity improvement. This study presents a simulation optimization procedure to solve the buffer allocation problem in a heat exchanger production plant so as to improve the capacity of the system. For optimization, three metaheuristic-based search algorithms, i.e. a binary-genetic algorithm (B-GA), a binary-simulated annealing algorithm (B-SA) and a binary-tabu search algorithm (B-TS), are proposed. These algorithms are integrated with the simulation model of the production line. The simulation model, which captures the stochastic and dynamic nature of the production line, is used as an evaluation function for the proposed metaheuristics. The experimental study with benchmark problem instances from the literature and the real-life problem show that the proposed B-TS algorithm outperforms B-GA and B-SA in terms of solution quality.

A PSO-Based Hybrid Metaheuristic for Permutation Flowshop Scheduling Problems

PubMed Central

Zhang, Le; Wu, Jinnan

2014-01-01

This paper investigates the permutation flowshop scheduling problem (PFSP) with the objectives of minimizing the makespan and the total flowtime and proposes a hybrid metaheuristic based on the particle swarm optimization (PSO). To enhance the exploration ability of the hybrid metaheuristic, a simulated annealing hybrid with a stochastic variable neighborhood search is incorporated. To improve the search diversification of the hybrid metaheuristic, a solution replacement strategy based on the pathrelinking is presented to replace the particles that have been trapped in local optimum. Computational results on benchmark instances show that the proposed PSO-based hybrid metaheuristic is competitive with other powerful metaheuristics in the literature. PMID:24672389

A PSO-based hybrid metaheuristic for permutation flowshop scheduling problems.

PubMed

Zhang, Le; Wu, Jinnan

2014-01-01

This paper investigates the permutation flowshop scheduling problem (PFSP) with the objectives of minimizing the makespan and the total flowtime and proposes a hybrid metaheuristic based on the particle swarm optimization (PSO). To enhance the exploration ability of the hybrid metaheuristic, a simulated annealing hybrid with a stochastic variable neighborhood search is incorporated. To improve the search diversification of the hybrid metaheuristic, a solution replacement strategy based on the pathrelinking is presented to replace the particles that have been trapped in local optimum. Computational results on benchmark instances show that the proposed PSO-based hybrid metaheuristic is competitive with other powerful metaheuristics in the literature.

Hybrid Stochastic Search Technique based Suboptimal AGC Regulator Design for Power System using Constrained Feedback Control Strategy

NASA Astrophysics Data System (ADS)

Ibraheem, Omveer, Hasan, N.

2010-10-01

A new hybrid stochastic search technique is proposed to design of suboptimal AGC regulator for a two area interconnected non reheat thermal power system incorporating DC link in parallel with AC tie-line. In this technique, we are proposing the hybrid form of Genetic Algorithm (GA) and simulated annealing (SA) based regulator. GASA has been successfully applied to constrained feedback control problems where other PI based techniques have often failed. The main idea in this scheme is to seek a feasible PI based suboptimal solution at each sampling time. The feasible solution decreases the cost function rather than minimizing the cost function.

Patient-specific Monte Carlo-based dose-kernel approach for inverse planning in afterloading brachytherapy.

PubMed

D'Amours, Michel; Pouliot, Jean; Dagnault, Anne; Verhaegen, Frank; Beaulieu, Luc

2011-12-01

Brachytherapy planning software relies on the Task Group report 43 dosimetry formalism. This formalism, based on a water approximation, neglects various heterogeneous materials present during treatment. Various studies have suggested that these heterogeneities should be taken into account to improve the treatment quality. The present study sought to demonstrate the feasibility of incorporating Monte Carlo (MC) dosimetry within an inverse planning algorithm to improve the dose conformity and increase the treatment quality. The method was based on precalculated dose kernels in full patient geometries, representing the dose distribution of a brachytherapy source at a single dwell position using MC simulations and the Geant4 toolkit. These dose kernels are used by the inverse planning by simulated annealing tool to produce a fast MC-based plan. A test was performed for an interstitial brachytherapy breast treatment using two different high-dose-rate brachytherapy sources: the microSelectron iridium-192 source and the electronic brachytherapy source Axxent operating at 50 kVp. A research version of the inverse planning by simulated annealing algorithm was combined with MC to provide a method to fully account for the heterogeneities in dose optimization, using the MC method. The effect of the water approximation was found to depend on photon energy, with greater dose attenuation for the lower energies of the Axxent source compared with iridium-192. For the latter, an underdosage of 5.1% for the dose received by 90% of the clinical target volume was found. A new method to optimize afterloading brachytherapy plans that uses MC dosimetric information was developed. Including computed tomography-based information in MC dosimetry in the inverse planning process was shown to take into account the full range of scatter and heterogeneity conditions. This led to significant dose differences compared with the Task Group report 43 approach for the Axxent source. Copyright © 2011 Elsevier Inc. All rights reserved.

Inversion of sonobuoy data from shallow-water sites with simulated annealing.

PubMed

Lindwall, Dennis; Brozena, John

2005-02-01

An enhanced simulated annealing algorithm is used to invert sparsely sampled seismic data collected with sonobuoys to obtain seafloor geoacoustic properties at two littoral marine environments as well as for a synthetic data set. Inversion of field data from a 750-m water-depth site using a water-gun sound source found a good solution which included a pronounced subbottom reflector after 6483 iterations over seven variables. Field data from a 250-m water-depth site using an air-gun source required 35,421 iterations for a good inversion solution because 30 variables had to be solved for, including the shot-to-receiver offsets. The sonobuoy derived compressional wave velocity-depth (Vp-Z) models compare favorably with Vp-Z models derived from nearby, high-quality, multichannel seismic data. There are, however, substantial differences between seafloor reflection coefficients calculated from field models and seafloor reflection coefficients based on commonly used Vp regression curves (gradients). Reflection loss is higher at one field site and lower at the other than predicted from commonly used Vp gradients for terrigenous sediments. In addition, there are strong effects on reflection loss due to the subseafloor interfaces that are also not predicted by Vp gradients.

An Integrated Qualitative and Quantitative Biochemical Model Learning Framework Using Evolutionary Strategy and Simulated Annealing.

PubMed

Wu, Zujian; Pang, Wei; Coghill, George M

2015-01-01

Both qualitative and quantitative model learning frameworks for biochemical systems have been studied in computational systems biology. In this research, after introducing two forms of pre-defined component patterns to represent biochemical models, we propose an integrative qualitative and quantitative modelling framework for inferring biochemical systems. In the proposed framework, interactions between reactants in the candidate models for a target biochemical system are evolved and eventually identified by the application of a qualitative model learning approach with an evolution strategy. Kinetic rates of the models generated from qualitative model learning are then further optimised by employing a quantitative approach with simulated annealing. Experimental results indicate that our proposed integrative framework is feasible to learn the relationships between biochemical reactants qualitatively and to make the model replicate the behaviours of the target system by optimising the kinetic rates quantitatively. Moreover, potential reactants of a target biochemical system can be discovered by hypothesising complex reactants in the synthetic models. Based on the biochemical models learned from the proposed framework, biologists can further perform experimental study in wet laboratory. In this way, natural biochemical systems can be better understood.

Quantum simulation of transverse Ising models with Rydberg atoms

NASA Astrophysics Data System (ADS)

Schauss, Peter

2018-04-01

Quantum Ising models are canonical models for the study of quantum phase transitions (Sachdev 1999 Quantum Phase Transitions (Cambridge: Cambridge University Press)) and are the underlying concept for many analogue quantum computing and quantum annealing ideas (Tanaka et al Quantum Spin Glasses, Annealing and Computation (Cambridge: Cambridge University Press)). Here we focus on the implementation of finite-range interacting Ising spin models, which are barely tractable numerically. Recent experiments with cold atoms have reached the interaction-dominated regime in quantum Ising magnets via optical coupling of trapped neutral atoms to Rydberg states. This approach allows for the tunability of all relevant terms in an Ising spin Hamiltonian with 1/{r}6 interactions in transverse and longitudinal fields. This review summarizes the recent progress of these implementations in Rydberg lattices with site-resolved detection. Strong correlations in quantum Ising models have been observed in several experiments, starting from a single excitation in the superatom regime up to the point of crystallization. The rapid progress in this field makes spin systems based on Rydberg atoms a promising platform for quantum simulation because of the unmatched flexibility and strength of interactions combined with high control and good isolation from the environment.

Bent channel design in buried Er3+/Yb3+ codoped phosphate glass waveguide fabricated by field-assisted annealing

NASA Astrophysics Data System (ADS)

Zhao, Ruitu; Wang, Mu; Chen, Baojie; Liu, Ke; Pun, Edwin Yue-Bun; Lin, Hai

2011-04-01

Bent waveguide structures (S-, U-, and F-bend) based on buried Er3+/Yb3+ codoped phosphate glass waveguide channel fabricated by field-assisted annealing have been designed to achieve high-gain C-band integrated amplification. Using a simulated-bend method, the optimal radius for the curved structure is derived to be 0.90 cm with loss coefficient of 0.02 dB/cm, as the substrate size is schemed to be 4×3 cm2. In the wavelength range of 1520 to 1575 nm, obvious gain enhancement for the bent structure waveguides is anticipated, and for the F-bend waveguide, the internal gain at 1534-nm wavelength is derived to be 41.61 dB, which is much higher than the value of 26.22 and 13.81 dB in the U- and S-bend waveguides, respectively, and over three times higher than that of the straight one. The simulation results indicate that the bent structure design is beneficial in obtaining high signal gain in buried Er3+/Yb3+ codoped phosphate glass waveguides, which lays the foundation for further design and fabrication of integrated devices.

Synthesizing optimal waste blends

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

Narayan, V.; Diwekar, W.M.; Hoza, M.

Vitrification of tank wastes to form glass is a technique that will be used for the disposal of high-level waste at Hanford. Process and storage economics show that minimizing the total number of glass logs produced is the key to keeping cost as low as possible. The amount of glass produced can be reduced by blending of the wastes. The optimal way to combine the tanks to minimize the vole of glass can be determined from a discrete blend calculation. However, this problem results in a combinatorial explosion as the number of tanks increases. Moreover, the property constraints make thismore » problem highly nonconvex where many algorithms get trapped in local minima. In this paper the authors examine the use of different combinatorial optimization approaches to solve this problem. A two-stage approach using a combination of simulated annealing and nonlinear programming (NLP) is developed. The results of different methods such as the heuristics approach based on human knowledge and judgment, the mixed integer nonlinear programming (MINLP) approach with GAMS, and branch and bound with lower bound derived from the structure of the given blending problem are compared with this coupled simulated annealing and NLP approach.« less

IGZO TFT-based circuit with tunable threshold voltage by laser annealing

NASA Astrophysics Data System (ADS)

Huang, Xiaoming; Yu, Guang; Wu, Chenfei

2017-11-01

In this work, a high-performance inverter based on amorphous indium-gallium-zinc oxide thin-film transistors (TFTs) has been fabricated, which consists of a driver TFT and a load TFT. The threshold voltage (Vth) of the load TFT can be tuned by applying an area-selective laser annealing. The transfer curve of the load TFT shows a parallel shift into the negative bias direction upon laser annealing. Based on x-ray photoelectron spectroscopy analyses, the negative Vth shift can be attributed to the increase of oxygen vacancy concentration within the device channel upon laser irradiation. Compared to the untreated inverter, the laser annealed inverter shows much improved switching characteristics, including a large output swing range which is close to full swing, as well as an enhanced output voltage gain. Furthermore, the dynamic performance of ring oscillator based on the laser-annealed inverter is improved.

Angular filter refractometry analysis using simulated annealing [An improved method for characterizing plasma density profiles using angular filter refractometry

DOE PAGES

Angland, P.; Haberberger, D.; Ivancic, S. T.; ...

2017-10-30

Here, a new method of analysis for angular filter refractometry images was developed to characterize laser-produced, long-scale-length plasmas using an annealing algorithm to iterative converge upon a solution. Angular filter refractometry (AFR) is a novel technique used to characterize the density pro files of laser-produced, long-scale-length plasmas. A synthetic AFR image is constructed by a user-defined density profile described by eight parameters, and the algorithm systematically alters the parameters until the comparison is optimized. The optimization and statistical uncertainty calculation is based on a minimization of themore » $$\\chi$$2 test statistic. The algorithm was successfully applied to experimental data of plasma expanding from a flat, laser-irradiated target, resulting in average uncertainty in the density profile of 5-10% in the region of interest.« less

Angular filter refractometry analysis using simulated annealing [An improved method for characterizing plasma density profiles using angular filter refractometry

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

Angland, P.; Haberberger, D.; Ivancic, S. T.

Here, a new method of analysis for angular filter refractometry images was developed to characterize laser-produced, long-scale-length plasmas using an annealing algorithm to iterative converge upon a solution. Angular filter refractometry (AFR) is a novel technique used to characterize the density pro files of laser-produced, long-scale-length plasmas. A synthetic AFR image is constructed by a user-defined density profile described by eight parameters, and the algorithm systematically alters the parameters until the comparison is optimized. The optimization and statistical uncertainty calculation is based on a minimization of themore » $$\\chi$$2 test statistic. The algorithm was successfully applied to experimental data of plasma expanding from a flat, laser-irradiated target, resulting in average uncertainty in the density profile of 5-10% in the region of interest.« less

Annealing Ant Colony Optimization with Mutation Operator for Solving TSP.

PubMed

Mohsen, Abdulqader M

2016-01-01

Ant Colony Optimization (ACO) has been successfully applied to solve a wide range of combinatorial optimization problems such as minimum spanning tree, traveling salesman problem, and quadratic assignment problem. Basic ACO has drawbacks of trapping into local minimum and low convergence rate. Simulated annealing (SA) and mutation operator have the jumping ability and global convergence; and local search has the ability to speed up the convergence. Therefore, this paper proposed a hybrid ACO algorithm integrating the advantages of ACO, SA, mutation operator, and local search procedure to solve the traveling salesman problem. The core of algorithm is based on the ACO. SA and mutation operator were used to increase the ants population diversity from time to time and the local search was used to exploit the current search area efficiently. The comparative experiments, using 24 TSP instances from TSPLIB, show that the proposed algorithm outperformed some well-known algorithms in the literature in terms of solution quality.

Enhancement of cooperation in the spatial prisoner's dilemma with a coherence-resonance effect through annealed randomness at a cooperator-defector boundary; comparison of two variant models

NASA Astrophysics Data System (ADS)

Tanimoto, Jun

2016-11-01

Inspired by the commonly observed real-world fact that people tend to behave in a somewhat random manner after facing interim equilibrium to break a stalemate situation whilst seeking a higher output, we established two models of the spatial prisoner's dilemma. One presumes that an agent commits action errors, while the other assumes that an agent refers to a payoff matrix with an added random noise instead of an original payoff matrix. A numerical simulation revealed that mechanisms based on the annealing of randomness due to either the action error or the payoff noise could significantly enhance the cooperation fraction. In this study, we explain the detailed enhancement mechanism behind the two models by referring to the concepts that we previously presented with respect to evolutionary dynamic processes under the names of enduring and expanding periods.

An efficient annealing in Boltzmann machine in Hopfield neural network

NASA Astrophysics Data System (ADS)

Kin, Teoh Yeong; Hasan, Suzanawati Abu; Bulot, Norhisam; Ismail, Mohammad Hafiz

2012-09-01

This paper proposes and implements Boltzmann machine in Hopfield neural network doing logic programming based on the energy minimization system. The temperature scheduling in Boltzmann machine enhancing the performance of doing logic programming in Hopfield neural network. The finest temperature is determined by observing the ratio of global solution and final hamming distance using computer simulations. The study shows that Boltzmann Machine model is more stable and competent in term of representing and solving difficult combinatory problems.

A hybrid meta-heuristic algorithm for the vehicle routing problem with stochastic travel times considering the driver's satisfaction

NASA Astrophysics Data System (ADS)

Tavakkoli-Moghaddam, Reza; Alinaghian, Mehdi; Salamat-Bakhsh, Alireza; Norouzi, Narges

2012-05-01

A vehicle routing problem is a significant problem that has attracted great attention from researchers in recent years. The main objectives of the vehicle routing problem are to minimize the traveled distance, total traveling time, number of vehicles and cost function of transportation. Reducing these variables leads to decreasing the total cost and increasing the driver's satisfaction level. On the other hand, this satisfaction, which will decrease by increasing the service time, is considered as an important logistic problem for a company. The stochastic time dominated by a probability variable leads to variation of the service time, while it is ignored in classical routing problems. This paper investigates the problem of the increasing service time by using the stochastic time for each tour such that the total traveling time of the vehicles is limited to a specific limit based on a defined probability. Since exact solutions of the vehicle routing problem that belong to the category of NP-hard problems are not practical in a large scale, a hybrid algorithm based on simulated annealing with genetic operators was proposed to obtain an efficient solution with reasonable computational cost and time. Finally, for some small cases, the related results of the proposed algorithm were compared with results obtained by the Lingo 8 software. The obtained results indicate the efficiency of the proposed hybrid simulated annealing algorithm.

A Simulated Annealing based Optimization Algorithm for Automatic Variogram Model Fitting

NASA Astrophysics Data System (ADS)

Soltani-Mohammadi, Saeed; Safa, Mohammad

2016-09-01

Fitting a theoretical model to an experimental variogram is an important issue in geostatistical studies because if the variogram model parameters are tainted with uncertainty, the latter will spread in the results of estimations and simulations. Although the most popular fitting method is fitting by eye, in some cases use is made of the automatic fitting method on the basis of putting together the geostatistical principles and optimization techniques to: 1) provide a basic model to improve fitting by eye, 2) fit a model to a large number of experimental variograms in a short time, and 3) incorporate the variogram related uncertainty in the model fitting. Effort has been made in this paper to improve the quality of the fitted model by improving the popular objective function (weighted least squares) in the automatic fitting. Also, since the variogram model function (£) and number of structures (m) too affect the model quality, a program has been provided in the MATLAB software that can present optimum nested variogram models using the simulated annealing method. Finally, to select the most desirable model from among the single/multi-structured fitted models, use has been made of the cross-validation method, and the best model has been introduced to the user as the output. In order to check the capability of the proposed objective function and the procedure, 3 case studies have been presented.

Simulated annealing with restart strategy for the blood pickup routing problem

NASA Astrophysics Data System (ADS)

Yu, V. F.; Iswari, T.; Normasari, N. M. E.; Asih, A. M. S.; Ting, H.

2018-04-01

This study develops a simulated annealing heuristic with restart strategy (SA_RS) for solving the blood pickup routing problem (BPRP). BPRP minimizes the total length of the routes for blood bag collection between a blood bank and a set of donation sites, each associated with a time window constraint that must be observed. The proposed SA_RS is implemented in C++ and tested on benchmark instances of the vehicle routing problem with time windows to verify its performance. The algorithm is then tested on some newly generated BPRP instances and the results are compared with those obtained by CPLEX. Experimental results show that the proposed SA_RS heuristic effectively solves BPRP.

Simulated annealing in networks for computing possible arrangements for red and green cones

NASA Technical Reports Server (NTRS)

Ahumada, Albert J., Jr.

1987-01-01

Attention is given to network models in which each of the cones of the retina is given a provisional color at random, and then the cones are allowed to determine the colors of their neighbors through an iterative process. A symmetric-structure spin-glass model has allowed arrays to be generated from completely random arrangements of red and green to arrays with approximately as much disorder as the parafoveal cones. Simulated annealing has also been added to the process in an attempt to generate color arrangements with greater regularity and hence more revealing moirepatterns than than the arrangements yielded by quenched spin-glass processes. Attention is given to the perceptual implications of these results.

Radiation Resistance Studies of Amorphous Silicon Alloy Photovoltaic Materials

NASA Technical Reports Server (NTRS)

Woodyard, James R.

1994-01-01

The radiation resistance of commercial solar cells fabricated from hydrogenated amorphous silicon alloys was investigated. A number of different device structures were irradiated with 1.0 MeV protons. The cells were insensitive to proton fluences below 1E12 sq cm. The parameters of the irradiated cells were restored with annealing at 200 C. The annealing time was dependent on proton fluence. Annealing devices for one hour restores cell parameters for fluences below lE14 sq cm require longer annealing times. A parametric fitting model was used to characterize current mechanisms observed in dark I-V measurements. The current mechanisms were explored with irradiation fluence, and voltage and light soaking times. The thermal generation current density and quality factor increased with proton fluence. Device simulation shows the degradation in cell characteristics may be explained by the reduction of the electric field in the intrinsic layer.

Investigation of the stability and 1.0 MeV proton radiation resistance of commercially produced hydrogenated amorphous silicon alloy solar cells

NASA Technical Reports Server (NTRS)

Lord, Kenneth R., II; Walters, Michael R.; Woodyard, James R.

1994-01-01

The radiation resistance of commercial solar cells fabricated from hydrogenated amorphous silicon alloys is reported. A number of different device structures were irradiated with 1.0 MeV protons. The cells were annealing at 200 C. The annealing time was dependent on proton fluence. Annealing devices for one hour restores cell parameters or fluences below 1(exp 14) cm(exp -2); fluences above 1(exp 14) cm(exp -2) require longer annealing times. A parametric fitting model was used to characterize current mechanisms observed in dark I-V measurements. The current mechanisms were explored with irradiation fluence, and voltage and light soaking times. The thermal generation current density and quality factor increased with proton fluence. Device simulation shows the degradation in cell characteristics may be explained by the reduction of the electric field in the intrinsic layer.

Optimization of conditions for thermal smoothing GaAs surfaces

NASA Astrophysics Data System (ADS)

Akhundov, I. O.; Kazantsev, D. M.; Kozhuhov, A. S.; Alperovich, V. L.

2018-03-01

GaAs thermal smoothing by annealing in conditions which are close to equilibrium between the surface and vapors of As and Ga was earlier proved to be effective for the step-terraced surface formation on epi-ready substrates with a small root-mean-square roughness (Rq ≤ 0.15 nm). In the present study, this technique is further developed in order to reduce the annealing duration and to smooth GaAs samples with a larger initial roughness. To this end, we proposed a two-stage anneal with the first high-temperature stage aimed at smoothing "coarse" relief features and the second stage focused on "fine" smoothing at a lower temperature. The optimal temperatures and durations of two-stage annealing are found by Monte Carlo simulations and adjusted after experimentation. It is proved that the temperature and duration of the first high-temperature stage are restricted by the surface roughening, which occurs due to deviations from equilibrium conditions.

A novel method for energy harvesting simulation based on scenario generation

NASA Astrophysics Data System (ADS)

Wang, Zhe; Li, Taoshen; Xiao, Nan; Ye, Jin; Wu, Min

2018-06-01

Energy harvesting network (EHN) is a new form of computer networks. It converts ambient energy into usable electric energy and supply the electrical energy as a primary or secondary power source to the communication devices. However, most of the EHN uses the analytical probability distribution function to describe the energy harvesting process, which cannot accurately identify the actual situation for the lack of authenticity. We propose an EHN simulation method based on scenario generation in this paper. Firstly, instead of setting a probability distribution in advance, it uses optimal scenario reduction technology to generate representative scenarios in single period based on the historical data of the harvested energy. Secondly, it uses homogeneous simulated annealing algorithm to generate optimal daily energy harvesting scenario sequences to get a more accurate simulation of the random characteristics of the energy harvesting network. Then taking the actual wind power data as an example, the accuracy and stability of the method are verified by comparing with the real data. Finally, we cite an instance to optimize the network throughput, which indicate the feasibility and effectiveness of the method we proposed from the optimal solution and data analysis in energy harvesting simulation.

Diffusion and Stability of Hydrogen in Mg-Doped GaN: A Density Functional Study

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Chang, Kee Joo

2012-06-01

Using hybrid functional calculations, we study the diffusion and thermal stability of hydrogen in Mg-doped GaN. Compared with the generalized gradient approximation, we obtain a higher activation barrier for dissociating a Mg-H complex, which is attributed to the increase in the binding energy of Mg-H. Kinetic Monte Carlo simulations yield the annealing temperature of around 800 °C for activating Mg acceptors, close to the measured values. The results provide an insight to understanding the annealing effect such that the annealing temperature generally increases with the Mg-H concentration, and the retrapping of H is partly responsible for the low doping efficiencies at high Mg concentrations.

Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale G e2S b2T e5 : An ab initio molecular dynamics study

NASA Astrophysics Data System (ADS)

Branicio, Paulo S.; Bai, Kewu; Ramanarayan, H.; Wu, David T.; Sullivan, Michael B.; Srolovitz, David J.

2018-04-01

The complete process of amorphization and crystallization of the phase-change material G e2S b2T e5 is investigated using nanosecond ab initio molecular dynamics simulations. Varying the quench rate during the amorphization phase of the cycle results in the generation of a variety of structures from entirely crystallized (-0.45 K/ps) to entirely amorphized (-16 K/ps). The 1.5-ns annealing simulations indicate that the crystallization process depends strongly on both the annealing temperature and the initial amorphous structure. The presence of crystal precursors (square rings) in the amorphous matrix enhances nucleation/crystallization kinetics. The simulation data are used to construct a combined continuous-cooling-transformation (CCT) and temperature-time-transformation (TTT) diagram. The nose of the CCT-TTT diagram corresponds to the minimum time for the onset of homogenous crystallization and is located at 600 K and 70 ps. That corresponds to a critical cooling rate for amorphization of -4.5 K/ps. The results, in excellent agreement with experimental observations, suggest that a strategy that utilizes multiple quench rates and annealing temperatures may be used to effectively optimize the reversible switching speed and enable fast and energy-efficient phase-change memories.

Designing a practical system for spectral imaging of skylight.

PubMed

López-Alvarez, Miguel A; Hernández-Andrés, Javier; Romero, Javier; Lee, Raymond L

2005-09-20

In earlier work [J. Opt. Soc. Am. A 21, 13-23 (2004)], we showed that a combination of linear models and optimum Gaussian sensors obtained by an exhaustive search can recover daylight spectra reliably from broadband sensor data. Thus our algorithm and sensors could be used to design an accurate, relatively inexpensive system for spectral imaging of daylight. Here we improve our simulation of the multispectral system by (1) considering the different kinds of noise inherent in electronic devices such as change-coupled devices (CCDs) or complementary metal-oxide semiconductors (CMOS) and (2) extending our research to a different kind of natural illumination, skylight. Because exhaustive searches are expensive computationally, here we switch to a simulated annealing algorithm to define the optimum sensors for recovering skylight spectra. The annealing algorithm requires us to minimize a single cost function, and so we develop one that calculates both the spectral and colorimetric similarity of any pair of skylight spectra. We show that the simulated annealing algorithm yields results similar to the exhaustive search but with much less computational effort. Our technique lets us study the properties of optimum sensors in the presence of noise, one side effect of which is that adding more sensors may not improve the spectral recovery.

Prediction of Flood Warning in Taiwan Using Nonlinear SVM with Simulated Annealing Algorithm

NASA Astrophysics Data System (ADS)

Lee, C.

2013-12-01

The issue of the floods is important in Taiwan. It is because the narrow and high topography of the island make lots of rivers steep in Taiwan. The tropical depression likes typhoon always causes rivers to flood. Prediction of river flow under the extreme rainfall circumstances is important for government to announce the warning of flood. Every time typhoon passed through Taiwan, there were always floods along some rivers. The warning is classified to three levels according to the warning water levels in Taiwan. The propose of this study is to predict the level of floods warning from the information of precipitation, rainfall duration and slope of riverbed. To classify the level of floods warning by the above-mentioned information and modeling the problems, a machine learning model, nonlinear Support vector machine (SVM), is formulated to classify the level of floods warning. In addition, simulated annealing (SA), a probabilistic heuristic algorithm, is used to determine the optimal parameter of the SVM model. A case study of flooding-trend rivers of different gradients in Taiwan is conducted. The contribution of this SVM model with simulated annealing is capable of making efficient announcement for flood warning and keeping the danger of flood from residents along the rivers.

Towards global optimization with adaptive simulated annealing

NASA Astrophysics Data System (ADS)

Forbes, Gregory W.; Jones, Andrew E.

1991-01-01

The structure of the simulated annealing algorithm is presented and its rationale is discussed. A unifying heuristic is then introduced which serves as a guide in the design of all of the sub-components of the algorithm. Simply put this heuristic principle states that at every cycle in the algorithm the occupation density should be kept as close as possible to the equilibrium distribution. This heuristic has been used as a guide to develop novel step generation and temperature control methods intended to improve the efficiency of the simulated annealing algorithm. The resulting algorithm has been used in attempts to locate good solutions for one of the lens design problems associated with this conference viz. the " monochromatic quartet" and a sample of the results is presented. 1 Global optimization in the context oflens design Whatever the context optimization algorithms relate to problems that take the following form: Given some configuration space with coordinates r (x1 . . x) and a merit function written asffr) find the point r whereftr) takes it lowest value. That is find the global minimum. In many cases there is also a set of auxiliary constraints that must be met so the problem statement becomes: Find the global minimum of the merit function within the region defined by E. (r) 0 j 1 2 . . . p and 0 j 1 2 . . . q.

Excimer laser annealing for low-voltage power MOSFET

NASA Astrophysics Data System (ADS)

Chen, Yi; Okada, Tatsuya; Noguchi, Takashi; Mazzamuto, Fulvio; Huet, Karim

2016-08-01

Excimer laser annealing of lumped beam was performed to form the P-base junction for high-performance low-voltage-power MOSFET. An equivalent shallow-junction structure for the P-base junction with a uniform impurity distribution is realized by adopting excimer laser annealing (ELA). The impurity distribution in the P-base junction can be controlled precisely by the irradiated pulse energy density and the number of shots of excimer laser. High impurity activation for the shallow junction has been confirmed in the melted phase. The application of the laser annealing technology in the fabrication process of a practical low-voltage trench gate MOSFET was also examined.

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

DTIC Science & Technology

2011-07-01

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

Capturing RNA Folding Free Energy with Coarse-Grained Molecular Dynamics Simulations

PubMed Central

Bell, David R.; Cheng, Sara Y.; Salazar, Heber; Ren, Pengyu

2017-01-01

We introduce a coarse-grained RNA model for molecular dynamics simulations, RACER (RnA CoarsE-gRained). RACER achieves accurate native structure prediction for a number of RNAs (average RMSD of 2.93 Å) and the sequence-specific variation of free energy is in excellent agreement with experimentally measured stabilities (R2 = 0.93). Using RACER, we identified hydrogen-bonding (or base pairing), base stacking, and electrostatic interactions as essential driving forces for RNA folding. Also, we found that separating pairing vs. stacking interactions allowed RACER to distinguish folded vs. unfolded states. In RACER, base pairing and stacking interactions each provide an approximate stability of 3–4 kcal/mol for an A-form helix. RACER was developed based on PDB structural statistics and experimental thermodynamic data. In contrast with previous work, RACER implements a novel effective vdW potential energy function, which led us to re-parameterize hydrogen bond and electrostatic potential energy functions. Further, RACER is validated and optimized using a simulated annealing protocol to generate potential energy vs. RMSD landscapes. Finally, RACER is tested using extensive equilibrium pulling simulations (0.86 ms total) on eleven RNA sequences (hairpins and duplexes). PMID:28393861

Quantum Optimization of Fully Connected Spin Glasses

NASA Astrophysics Data System (ADS)

Venturelli, Davide; Mandrà, Salvatore; Knysh, Sergey; O'Gorman, Bryan; Biswas, Rupak; Smelyanskiy, Vadim

2015-07-01

Many NP-hard problems can be seen as the task of finding a ground state of a disordered highly connected Ising spin glass. If solutions are sought by means of quantum annealing, it is often necessary to represent those graphs in the annealer's hardware by means of the graph-minor embedding technique, generating a final Hamiltonian consisting of coupled chains of ferromagnetically bound spins, whose binding energy is a free parameter. In order to investigate the effect of embedding on problems of interest, the fully connected Sherrington-Kirkpatrick model with random ±1 couplings is programmed on the D-Wave TwoTM annealer using up to 270 qubits interacting on a Chimera-type graph. We present the best embedding prescriptions for encoding the Sherrington-Kirkpatrick problem in the Chimera graph. The results indicate that the optimal choice of embedding parameters could be associated with the emergence of the spin-glass phase of the embedded problem, whose presence was previously uncertain. This optimal parameter setting allows the performance of the quantum annealer to compete with (and potentially outperform, in the absence of analog control errors) optimized simulated annealing algorithms.

Minimizing distortion and internal forces in truss structures by simulated annealing

NASA Technical Reports Server (NTRS)

Kincaid, Rex K.

1989-01-01

Inaccuracies in the length of members and the diameters of joints of large truss reflector backup structures may produce unacceptable levels of surface distortion and member forces. However, if the member lengths and joint diameters can be measured accurately it is possible to configure the members and joints so that root-mean-square (rms) surface error and/or rms member forces is minimized. Following Greene and Haftka (1989) it is assumed that the force vector f is linearly proportional to the member length errors e(sub M) of dimension NMEMB (the number of members) and joint errors e(sub J) of dimension NJOINT (the number of joints), and that the best-fit displacement vector d is a linear function of f. Let NNODES denote the number of positions on the surface of the truss where error influences are measured. The solution of the problem is discussed. To classify, this problem was compared to a similar combinatorial optimization problem. In particular, when only the member length errors are considered, minimizing d(sup 2)(sub rms) is equivalent to the quadratic assignment problem. The quadratic assignment problem is a well known NP-complete problem in operations research literature. Hence minimizing d(sup 2)(sub rms) is is also an NP-complete problem. The focus of the research is the development of a simulated annealing algorithm to reduce d(sup 2)(sub rms). The plausibility of this technique is its recent success on a variety of NP-complete combinatorial optimization problems including the quadratic assignment problem. A physical analogy for simulated annealing is the way liquids freeze and crystallize. All computational experiments were done on a MicroVAX. The two interchange heuristic is very fast but produces widely varying results. The two and three interchange heuristic provides less variability in the final objective function values but runs much more slowly. Simulated annealing produced the best objective function values for every starting configuration and was faster than the two and three interchange heuristic.

Effect of Annealing Processes on Cu-Zr Alloy Film for Copper Metallization

NASA Astrophysics Data System (ADS)

Wang, Ying; Li, Fu-yin; Tang, Bin-han

2017-12-01

The effect of two different annealing processes on the microstructure and barrier-forming ability of Cu-Zr alloy films has been investigated. Cu-Zr alloy films were deposited directly onto SiO2/Si substrates via direct current magnetron sputtering and subsequently annealed by the vacuum annealing process (VAP) or rapid annealing process under argon atmosphere at temperatures 350°C, 450°C, and 550°C. Then, the microstructure, interface characteristics, and electrical properties of the samples were measured. After annealing, the samples showed a preferential (111) crystal orientation, independent of the annealing process. After two annealing methods, Zr aggregated at the Cu-Zr/SiO2 interface and no serious interdiffusion occurred between Cu and Si. The leakage current measurements revealed that the samples annealed by VAP show a higher reliability. According to the results, the vacuum annealing has better barrier performance than the rapid annealing when used for the fabrication of Cu-based interconnects.

High-NA metrology and sensing on Berkeley MET5

NASA Astrophysics Data System (ADS)

Miyakawa, Ryan; Anderson, Chris; Naulleau, Patrick

2017-03-01

In this paper we compare two non-interferometric wavefront sensors suitable for in-situ high-NA EUV optical testing. The first is the AIS sensor, which has been deployed in both inspection and exposure tools. AIS is a compact, optical test that directly measures a wavefront by probing various parts of the imaging optic pupil and measuring localized wavefront curvature. The second is an image-based technique that uses an iterative algorithm based on simulated annealing to reconstruct a wavefront based on matching aerial images through focus. In this technique, customized illumination is used to probe the pupil at specific points to optimize differences in aberration signatures.

Unidirectional self-assembly of soft templated mesoporous carbons by zone annealing

NASA Astrophysics Data System (ADS)

Xue, Jiachen; Singh, Gurpreet; Qiang, Zhe; Karim, Alamgir; Vogt, Bryan D.

2013-08-01

Surfactant or block copolymer-templated mesoporous films have been extensively explored, but achieving mesostructure coherence and unidirectional orientation over macroscopic dimensions has remained quite challenging for these self-assembled systems. Here, we extend the concepts associated with zone refinement of crystalline materials to soft templated mesoporous carbon films based on the cooperative assembly of commercial non-ionic surfactants (block copolymers) and phenolic resin oligomers (resol) to provide macroscopic alignment of both cubic (FDU-16) and hexagonal (FDU-15) mesostructures. The average orientation of these mesophases is determined from rotation grazing incidence small angle X-ray scattering (GISAXS) measurements. For FDU-15 templated by Pluronic P123, the orientation factor for the zone-annealed film is 0.98 based on the average of the second Legendre polynomial, but this orientation deteriorates significantly during carbonization. Notably, a thermal stabilization step following zone annealing preserves the orientation of the mesostructure during carbonization. The orientation factor for an isotropic cubic structure (FDU-16 templated by Pluronic F127) is only 0.48 (based on the 111 reflection with incident angle 0.15°) for the same zone annealing protocol, but this illustrates the versatility of zone annealing to different mesostructures. Unexpectedly, zone annealing of FDU-15 templated by Pluronic F127 leads to stabilization of the mesostructure through carbonization, whereas this structure collapses fully during carbonization even after extended oven annealing; despite no clear macroscopic orientation of the cylindrical mesostructure from zone annealing. Thermal zone annealing provides a simple methodology to produce highly ordered and macroscopically oriented stable mesoporous carbon films, but the efficacy is strongly tied to the mobility of the template during the zone annealing.Surfactant or block copolymer-templated mesoporous films have been extensively explored, but achieving mesostructure coherence and unidirectional orientation over macroscopic dimensions has remained quite challenging for these self-assembled systems. Here, we extend the concepts associated with zone refinement of crystalline materials to soft templated mesoporous carbon films based on the cooperative assembly of commercial non-ionic surfactants (block copolymers) and phenolic resin oligomers (resol) to provide macroscopic alignment of both cubic (FDU-16) and hexagonal (FDU-15) mesostructures. The average orientation of these mesophases is determined from rotation grazing incidence small angle X-ray scattering (GISAXS) measurements. For FDU-15 templated by Pluronic P123, the orientation factor for the zone-annealed film is 0.98 based on the average of the second Legendre polynomial, but this orientation deteriorates significantly during carbonization. Notably, a thermal stabilization step following zone annealing preserves the orientation of the mesostructure during carbonization. The orientation factor for an isotropic cubic structure (FDU-16 templated by Pluronic F127) is only 0.48 (based on the 111 reflection with incident angle 0.15°) for the same zone annealing protocol, but this illustrates the versatility of zone annealing to different mesostructures. Unexpectedly, zone annealing of FDU-15 templated by Pluronic F127 leads to stabilization of the mesostructure through carbonization, whereas this structure collapses fully during carbonization even after extended oven annealing; despite no clear macroscopic orientation of the cylindrical mesostructure from zone annealing. Thermal zone annealing provides a simple methodology to produce highly ordered and macroscopically oriented stable mesoporous carbon films, but the efficacy is strongly tied to the mobility of the template during the zone annealing. Electronic supplementary information (ESI) available: GISAXS profiles for the FDU-15-F127 at φ = 0° and φ = 90° is included along with 2D GISAXS data for all azimuthal data associated with FDU-15-P123 to illustrate the azimuthal dependence on the diffraction patterns. See DOI: 10.1039/c3nr02821f

Investigating the enhanced Best Performance Algorithm for Annual Crop Planning problem based on economic factors

PubMed Central

2017-01-01

The Annual Crop Planning (ACP) problem was a recently introduced problem in the literature. This study further expounds on this problem by presenting a new mathematical formulation, which is based on market economic factors. To determine solutions, a new local search metaheuristic algorithm is investigated which is called the enhanced Best Performance Algorithm (eBPA). eBPA’s results are compared against two well-known local search metaheuristic algorithms; these include Tabu Search and Simulated Annealing. The results show the potential of the eBPA for continuous optimization problems. PMID:28792495

Study of clusters and hypernuclei production within PHSD+FRIGA model

NASA Astrophysics Data System (ADS)

Kireyeu, Viktar; Le Fèvre, Arnaud; Bratkovskaya, Elena

2017-03-01

We report on the results on the dynamical modelling of cluster formation with the new combined PHSD+FRIGA model at Nuclotron and NICA energies. The FRIGA clusterization algorithm, which can be applied to the transport models, is based on the simulated annealing technique to obtain the most bound configuration of fragments and nucleons. The PHSD+FRIGA model is able to predict isotope yields as well as hypernucleus production. Based on present predictions of the combined model we study the possibility to detect such clusters and hypernuclei in the BM@N and MPD/NICA detectors.

Study of Clusters and Hypernuclei production within PHSD+FRIGA model

NASA Astrophysics Data System (ADS)

Kireyeu, V.; Le Fèvre, A.; Bratkovskaya, E.

2017-01-01

We report on the results on the dynamical modelling of cluster formation with the new combined PHSD+FRIGA model at Nuclotron and NICA energies. The FRIGA clusterisation algorithm, which can be applied to the transport models, is based on the simulated annealing technique to obtain the most bound configuration of fragments and nucleons. The PHSD+FRIGA model is able to predict isotope yields as well as hyper-nucleus production. Based on present predictions of the combined model we study the possibility to detect such clusters and hypernuclei in the BM@N and MPD/NICA detectors.

Tree branch-shaped cupric oxide for highly effective photoelectrochemical water reduction

NASA Astrophysics Data System (ADS)

Jang, Youn Jeong; Jang, Ji-Wook; Choi, Sun Hee; Kim, Jae Young; Kim, Ju Hun; Youn, Duck Hyun; Kim, Won Yong; Han, Suenghoon; Sung Lee, Jae

2015-04-01

Highly efficient tree branch-shaped CuO photocathodes are fabricated using the hybrid microwave annealing process with a silicon susceptor within 10 minutes. The unique hierarchical, one-dimensional structure provides more facile charge transport, larger surface areas, and increased crystallinity and crystal ordering with less defects compared to irregular-shaped CuO prepared by conventional thermal annealing. As a result, the photocathode fabricated with the tree branch-shaped CuO produces an unprecedently high photocurrent density of -4.4 mA cm-2 at 0 VRHE under AM 1.5 G simulated sunlight compared to -1.44 mA cm-2 observed for a photocathode fabricated by thermal annealing. It is also confirmed that stoichiometric hydrogen and oxygen are produced from photoelectrochemical water splitting on the tree branch-shaped CuO photocathode and a platinum anode.Highly efficient tree branch-shaped CuO photocathodes are fabricated using the hybrid microwave annealing process with a silicon susceptor within 10 minutes. The unique hierarchical, one-dimensional structure provides more facile charge transport, larger surface areas, and increased crystallinity and crystal ordering with less defects compared to irregular-shaped CuO prepared by conventional thermal annealing. As a result, the photocathode fabricated with the tree branch-shaped CuO produces an unprecedently high photocurrent density of -4.4 mA cm-2 at 0 VRHE under AM 1.5 G simulated sunlight compared to -1.44 mA cm-2 observed for a photocathode fabricated by thermal annealing. It is also confirmed that stoichiometric hydrogen and oxygen are produced from photoelectrochemical water splitting on the tree branch-shaped CuO photocathode and a platinum anode. Electronic supplementary information (ESI) available: The detailed schematic diagram for the HMA process, XRD results, the temperature profile during HMA, derivative XANES results, TEM images, J-V curves, lists of previously reported copper oxide photocathode, and parameters extracted from EIS. See DOI: 10.1039/c5nr00208g

A Statistical-Physics Approach to Language Acquisition and Language Change

NASA Astrophysics Data System (ADS)

Cassandro, Marzio; Collet, Pierre; Galves, Antonio; Galves, Charlotte

1999-02-01

The aim of this paper is to explain why Statistical Physics can help understanding two related linguistic questions. The first question is how to model first language acquisition by a child. The second question is how language change proceeds in time. Our approach is based on a Gibbsian model for the interface between syntax and prosody. We also present a simulated annealing model of language acquisition, which extends the Triggering Learning Algorithm recently introduced in the linguistic literature.

Modulation of drug release kinetics of shellac-based matrix tablets by in-situ polymerization through annealing process.

PubMed

Limmatvapirat, Sontaya; Limmatvapirat, Chutima; Puttipipatkhachorn, Satit; Nunthanid, Jurairat; Luangtana-anan, Manee; Sriamornsak, Pornsak

2008-08-01

A new oral-controlled release matrix tablet based on shellac polymer was designed and developed, using metronidazole (MZ) as a model drug. The shellac-based matrix tablets were prepared by wet granulation using different amounts of shellac and lactose. The effect of annealing temperature and pH of medium on drug release from matrix tablets was investigated. The increased amount of shellac and increased annealing temperature significantly affected the physical properties (i.e., tablet hardness and tablet disintegration) and MZ release from the matrix tablets. The in-situ polymerization played a major role on the changes in shellac properties during annealing process. Though the shellac did not dissolve in acid medium, the MZ release in 0.1N HCl was faster than in pH 7.3 buffer, resulting from a higher solubility of MZ in acid medium. The modulation of MZ release kinetics from shellac-based matrix tablets could be accomplished by varying the amount of shellac or annealing temperature. The release kinetics was shifted from relaxation-controlled release to diffusion-controlled release when the amount of shellac or the annealing temperature was increased.

Thin film module electrical configuration versus electrical performance

NASA Technical Reports Server (NTRS)

Morel, D. L.

1985-01-01

The as made and degraded states of thin film silicon (TFS) based modules have been modelled in terms of series resistance losses. The origins of these losses lie in interface and bulk regions of the devices. When modules degrade under light exposure, increases occur in both the interface and bulk components of the loss based on series resistance. Actual module performance can thus be simulated by use of only one unknown parameter, shunt losses. Use of the simulation to optimize module design indicates that the current design of 25 cells per linear foot is near optimum. Degradation performance suggests a shift to approx. 35 cells to effect maximum output for applications not constrained to 12 volts. Earlier studies of energy based performance and tandem structures should be updated to include stability factors, not only the initial loss factor tested here, but also appropriate annealing factors.

Hybrid algorithms for fuzzy reverse supply chain network design.

PubMed

Che, Z H; Chiang, Tzu-An; Kuo, Y C; Cui, Zhihua

2014-01-01

In consideration of capacity constraints, fuzzy defect ratio, and fuzzy transport loss ratio, this paper attempted to establish an optimized decision model for production planning and distribution of a multiphase, multiproduct reverse supply chain, which addresses defects returned to original manufacturers, and in addition, develops hybrid algorithms such as Particle Swarm Optimization-Genetic Algorithm (PSO-GA), Genetic Algorithm-Simulated Annealing (GA-SA), and Particle Swarm Optimization-Simulated Annealing (PSO-SA) for solving the optimized model. During a case study of a multi-phase, multi-product reverse supply chain network, this paper explained the suitability of the optimized decision model and the applicability of the algorithms. Finally, the hybrid algorithms showed excellent solving capability when compared with original GA and PSO methods.

Hybrid Algorithms for Fuzzy Reverse Supply Chain Network Design

PubMed Central

Che, Z. H.; Chiang, Tzu-An; Kuo, Y. C.

2014-01-01

In consideration of capacity constraints, fuzzy defect ratio, and fuzzy transport loss ratio, this paper attempted to establish an optimized decision model for production planning and distribution of a multiphase, multiproduct reverse supply chain, which addresses defects returned to original manufacturers, and in addition, develops hybrid algorithms such as Particle Swarm Optimization-Genetic Algorithm (PSO-GA), Genetic Algorithm-Simulated Annealing (GA-SA), and Particle Swarm Optimization-Simulated Annealing (PSO-SA) for solving the optimized model. During a case study of a multi-phase, multi-product reverse supply chain network, this paper explained the suitability of the optimized decision model and the applicability of the algorithms. Finally, the hybrid algorithms showed excellent solving capability when compared with original GA and PSO methods. PMID:24892057

High-dose-rate prostate brachytherapy inverse planning on dose-volume criteria by simulated annealing.

PubMed

Deist, T M; Gorissen, B L

2016-02-07

High-dose-rate brachytherapy is a tumor treatment method where a highly radioactive source is brought in close proximity to the tumor. In this paper we develop a simulated annealing algorithm to optimize the dwell times at preselected dwell positions to maximize tumor coverage under dose-volume constraints on the organs at risk. Compared to existing algorithms, our algorithm has advantages in terms of speed and objective value and does not require an expensive general purpose solver. Its success mainly depends on exploiting the efficiency of matrix multiplication and a careful selection of the neighboring states. In this paper we outline its details and make an in-depth comparison with existing methods using real patient data.

OBJECT KINETIC MONTE CARLO SIMULATIONS OF MICROSTRUCTURE EVOLUTION

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

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2013-09-30

The objective is to report the development of the flexible object kinetic Monte Carlo (OKMC) simulation code KSOME (kinetic simulation of microstructure evolution) which can be used to simulate microstructure evolution of complex systems under irradiation. In this report we briefly describe the capabilities of KSOME and present preliminary results for short term annealing of single cascades in tungsten at various primary-knock-on atom (PKA) energies and temperatures.

Hydrogeophysical Assessment of Aquifer Uncertainty Using Simulated Annealing driven MRF-Based Stochastic Joint Inversion

NASA Astrophysics Data System (ADS)

Oware, E. K.

2017-12-01

Geophysical quantification of hydrogeological parameters typically involve limited noisy measurements coupled with inadequate understanding of the target phenomenon. Hence, a deterministic solution is unrealistic in light of the largely uncertain inputs. Stochastic imaging (SI), in contrast, provides multiple equiprobable realizations that enable probabilistic assessment of aquifer properties in a realistic manner. Generation of geologically realistic prior models is central to SI frameworks. Higher-order statistics for representing prior geological features in SI are, however, usually borrowed from training images (TIs), which may produce undesirable outcomes if the TIs are unpresentatitve of the target structures. The Markov random field (MRF)-based SI strategy provides a data-driven alternative to TI-based SI algorithms. In the MRF-based method, the simulation of spatial features is guided by Gibbs energy (GE) minimization. Local configurations with smaller GEs have higher likelihood of occurrence and vice versa. The parameters of the Gibbs distribution for computing the GE are estimated from the hydrogeophysical data, thereby enabling the generation of site-specific structures in the absence of reliable TIs. In Metropolis-like SI methods, the variance of the transition probability controls the jump-size. The procedure is a standard Markov chain Monte Carlo (McMC) method when a constant variance is assumed, and becomes simulated annealing (SA) when the variance (cooling temperature) is allowed to decrease gradually with time. We observe that in certain problems, the large variance typically employed at the beginning to hasten burn-in may be unideal for sampling at the equilibrium state. The powerfulness of SA stems from its flexibility to adaptively scale the variance at different stages of the sampling. Degeneration of results were reported in a previous implementation of the MRF-based SI strategy based on a constant variance. Here, we present an updated version of the algorithm based on SA that appears to resolve the degeneration problem with seemingly improved results. We illustrate the performance of the SA version with a joint inversion of time-lapse concentration and electrical resistivity measurements in a hypothetical trinary hydrofacies aquifer characterization problem.

Phase and structural transformations in VVER-440 RPV base metal after long-term operation and recovery annealing

NASA Astrophysics Data System (ADS)

Kuleshova, E. A.; Gurovich, B. A.; Maltsev, D. A.; Frolov, A. S.; Bukina, Z. V.; Fedotova, S. V.; Saltykov, M. A.; Krikun, E. V.; Erak, D. Yu; Zhurko, D. A.; Safonov, D. V.; Zhuchkov, G. M.

2018-04-01

This study was carried out to evaluate the possibility of 1st generation VVER-440 reactors lifetime extension by recovery re-annealing with the respect to base metal (BM). Comprehensive studies of the structure and properties of BM templates (samples cut from the inner surface of the shells in beltline region) of operating VVER-440 reactor (after primary standard recovery annealing 475 °C/150 h and subsequent long-term re-irradiation within reactor pressure vessel (RPV)) were conducted. These templates were also subjected to laboratory re-annealing 475 °C/150 h. TEM, SEM and APT studies of BM after laboratory re-annealing revealed significant recovery of radiation-induced hardening elements (Cu-rich precipitates and dislocation loops). Simultaneously a process of strong phosphorus accumulation at grain boundaries occurs since annealing temperature corresponds to the maximum reversible temper brittleness development. The latter is not observed for VVER-440 weld metal (WM). Comparative assessment of the properties return level for the beltline BM templates after recovery re-annealing 475 °C/150 h showed that it does not reach the one typical for beltline WM after the same annealing.

Thermodynamics of a phase transition of silicon nanoparticles at the annealing and carbonization of porous silicon

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

Nagornov, Yu. S., E-mail: Nagornov.Yuri@gmail.com

2015-12-15

The formation of SiC nanocrystals of the cubic modification in the process of high-temperature carbonization of porous silicon has been analyzed. A thermodynamic model has been proposed to describe the experimental data obtained by atomic-force microscopy, Raman scattering, spectral analysis, Auger spectroscopy, and X-ray diffraction spectroscopy. It has been shown that the surface energy of silicon nanoparticles and quantum filaments is released in the process of annealing and carbonization. The Monte Carlo simulation has shown that the released energy makes it possible to overcome the nucleation barrier and to form SiC nanocrystals. The processes of laser annealing and electron irradiationmore » of carbonized porous silicon have been analyzed.« less

TiOx-based thin-film transistors prepared by femtosecond laser pre-annealing

NASA Astrophysics Data System (ADS)

Shan, Fei; Kim, Sung-Jin

2018-02-01

We report on thin-film transistors (TFTs) based on titanium oxide (TiOx) prepared using femtosecond laser pre-annealing for electrical application of n-type channel oxide transparent TFTs. Amorphous TFTs using TiOx semiconductors as an active layer have a low-temperature process and show remarkable electrical performance. And the femtosecond laser pre-annealing process has greater flexibility and development space for semiconductor production activity, with a fast preparation method. TFTs with a TiOx semiconductor pre-annealed via femtosecond laser at 3 W have a pinhole-free and smooth surface without crystal grains.

Electrical characteristics and density of states of thin-film transistors based on sol-gel derived ZnO channel layers with different annealing temperatures

NASA Astrophysics Data System (ADS)

Wang, S.; Mirkhani, V.; Yapabandara, K.; Cheng, R.; Hernandez, G.; Khanal, M. P.; Sultan, M. S.; Uprety, S.; Shen, L.; Zou, S.; Xu, P.; Ellis, C. D.; Sellers, J. A.; Hamilton, M. C.; Niu, G.; Sk, M. H.; Park, M.

2018-04-01

We report on the fabrication and electrical characterization of bottom gate thin-film transistors (TFTs) based on a sol-gel derived ZnO channel layer. The effect of annealing of ZnO active channel layers on the electrical characteristics of the ZnO TFTs was systematically investigated. Photoluminescence (PL) spectra indicate that the crystal quality of the ZnO improves with increasing annealing temperature. Both the device turn-on voltage (Von) and threshold voltage (VT) shift to a positive voltage with increasing annealing temperature. As the annealing temperature is increased, both the subthreshold slope and the interfacial defect density (Dit) decrease. The field effect mobility (μFET) increases with annealing temperature, peaking at 800 °C and decreases upon further temperature increase. An improvement in transfer and output characteristics was observed with increasing annealing temperature. However, when the annealing temperature reaches 900 °C, the TFTs demonstrate a large degradation in both transfer and output characteristics, which is possibly produced by non-continuous coverage of the film. By using the temperature-dependent field effect measurements, the localized sub-gap density of states (DOSs) for ZnO TFTs with different annealing temperatures were determined. The DOSs for the subthreshold regime decrease with increasing annealing temperature from 600 °C to 800 °C and no substantial change was observed with further temperature increase to 900 °C.

Heavy Ion Induced Degradation in SiC Schottky Diodes: Bias and Energy Deposition Dependence

NASA Technical Reports Server (NTRS)

Javanainen, Arto; Galloway, Kenneth F.; Nicklaw, Christopher; Bosser, Alexandre L.; Ferlet-Cavrois, Veronique; Lauenstein, Jean-Marie; Pintacuda, Francesco; Reed, Robert A.; Schrimpf, Ronald D.; Weller, Robert A.;

Conservation biogeography of red oaks (Quercus, section Lobatae) in Mexico and Central America.

PubMed

Torres-Miranda, Andrés; Luna-Vega, Isolda; Oyama, Ken

2011-02-01

Oaks are dominant trees and key species in many temperate and subtropical forests in the world. In this study, we analyzed patterns of distribution of red oaks (Quercus, section Lobatae) occurring in Mexico and Central America to determine areas of species richness and endemism to propose areas of conservation. Patterns of richness and endemism of 75 red oak species were analyzed using three different units. Two complementarity algorithms based on species richness and three algorithms based on species rarity were used to identify important areas for conservation. A simulated annealing analysis was performed to evaluate and formulate effective new reserves for red oaks that are useful for conserving the ecosystems associated with them after the systematic conservation planning approach. Two main centers of species richness were detected. The northern Sierra Madre Oriental and Serranías Meridionales of Jalisco had the highest values of endemism. Fourteen areas were considered as priorities for conservation of red oak species based on the 26 priority political entities, 11 floristic units and the priority grid-cells obtained in the complementarity analysis. In the present network of Natural Protected Areas in Mexico and Central America, only 41.3% (31 species) of the red oak species are protected. The simulated annealing analysis indicated that to protect all 75 species of red oaks, 12 current natural protected areas need to be expanded by 120000 ha of additional land, and 26 new natural protected areas with 512500 ha need to be created. Red oaks are a useful model to identify areas for conservation based on species richness and endemism as a result of their wide geographic distribution and a high number of species. We evaluated and reformulated new reserves for red oaks that are also useful for the conservation of ecosystems associated with them.

Annealing Effects on Creep and Rupture of Polycrystalline Alumina-Based Fibers

NASA Technical Reports Server (NTRS)

Goldsby, J. C.; Yun, H. M.; Morscher, G. N.; DiCarlo, J. A.

1998-01-01

Continuous-length polycrystalline aluminum-oxide-based fibers are being considered as reinforcements for advanced high-temperature composite materials. For these fine-grained fibers, basic issues arise concerning grain growth and microstructural instability during composite fabrication and the resulting effects on the fiber's thermo-mechanical properties. To examine these issues, commercially available Nextel 610 (alumina) and Altex (alumina-silica) fibers were annealed at 1100 and 1300 C for up to 100 hr in air. Changes in fiber microstructure, fiber tensile creep, stress rupture, and bend stress relaxation (BSR) that occurred with annealing were then determined. BSR tests were also used to compare as-received and annealed fibers to other polycrystalline oxide fibers. Annealing was shown to have a significant effect, particularly on the Altex fiber, and caused it to have increased creep resistance.

Improved perovskite phototransistor prepared using multi-step annealing method

NASA Astrophysics Data System (ADS)

Cao, Mingxuan; Zhang, Yating; Yu, Yu; Yao, Jianquan

2018-02-01

Organic-inorganic hybrid perovskites with good intrinsic physical properties have received substantial interest for solar cell and optoelectronic applications. However, perovskite film always suffers from a low carrier mobility due to its structural imperfection including sharp grain boundaries and pinholes, restricting their device performance and application potential. Here we demonstrate a straightforward strategy based on multi-step annealing process to improve the performance of perovskite photodetector. Annealing temperature and duration greatly affects the surface morphology and optoelectrical properties of perovskites which determines the device property of phototransistor. The perovskite films treated with multi-step annealing method tend to form highly uniform, well-crystallized and high surface coverage perovskite film, which exhibit stronger ultraviolet-visible absorption and photoluminescence spectrum compare to the perovskites prepared by conventional one-step annealing process. The field-effect mobilities of perovskite photodetector treated by one-step direct annealing method shows mobility as 0.121 (0.062) cm2V-1s-1 for holes (electrons), which increases to 1.01 (0.54) cm2V-1s-1 for that treated with muti-step slow annealing method. Moreover, the perovskite phototransistors exhibit a fast photoresponse speed of 78 μs. In general, this work focuses on the influence of annealing methods on perovskite phototransistor, instead of obtains best parameters of it. These findings prove that Multi-step annealing methods is feasible to prepared high performance based photodetector.

A robust hybrid fuzzy-simulated annealing-intelligent water drops approach for tuning a distribution static compensator nonlinear controller in a distribution system

NASA Astrophysics Data System (ADS)

Bagheri Tolabi, Hajar; Hosseini, Rahil; Shakarami, Mahmoud Reza

2016-06-01

This article presents a novel hybrid optimization approach for a nonlinear controller of a distribution static compensator (DSTATCOM). The DSTATCOM is connected to a distribution system with the distributed generation units. The nonlinear control is based on partial feedback linearization. Two proportional-integral-derivative (PID) controllers regulate the voltage and track the output in this control system. In the conventional scheme, the trial-and-error method is used to determine the PID controller coefficients. This article uses a combination of a fuzzy system, simulated annealing (SA) and intelligent water drops (IWD) algorithms to optimize the parameters of the controllers. The obtained results reveal that the response of the optimized controlled system is effectively improved by finding a high-quality solution. The results confirm that using the tuning method based on the fuzzy-SA-IWD can significantly decrease the settling and rising times, the maximum overshoot and the steady-state error of the voltage step response of the DSTATCOM. The proposed hybrid tuning method for the partial feedback linearizing (PFL) controller achieved better regulation of the direct current voltage for the capacitor within the DSTATCOM. Furthermore, in the event of a fault the proposed controller tuned by the fuzzy-SA-IWD method showed better performance than the conventional controller or the PFL controller without optimization by the fuzzy-SA-IWD method with regard to both fault duration and clearing times.

Analysis of temporal gene expression profiles: clustering by simulated annealing and determining the optimal number of clusters.

PubMed

Lukashin, A V; Fuchs, R

2001-05-01

Cluster analysis of genome-wide expression data from DNA microarray hybridization studies has proved to be a useful tool for identifying biologically relevant groupings of genes and samples. In the present paper, we focus on several important issues related to clustering algorithms that have not yet been fully studied. We describe a simple and robust algorithm for the clustering of temporal gene expression profiles that is based on the simulated annealing procedure. In general, this algorithm guarantees to eventually find the globally optimal distribution of genes over clusters. We introduce an iterative scheme that serves to evaluate quantitatively the optimal number of clusters for each specific data set. The scheme is based on standard approaches used in regular statistical tests. The basic idea is to organize the search of the optimal number of clusters simultaneously with the optimization of the distribution of genes over clusters. The efficiency of the proposed algorithm has been evaluated by means of a reverse engineering experiment, that is, a situation in which the correct distribution of genes over clusters is known a priori. The employment of this statistically rigorous test has shown that our algorithm places greater than 90% genes into correct clusters. Finally, the algorithm has been tested on real gene expression data (expression changes during yeast cell cycle) for which the fundamental patterns of gene expression and the assignment of genes to clusters are well understood from numerous previous studies.

The energy landscape of a selective tumor-homing pentapeptide

PubMed Central

Zanuy, David; Flores-Ortega, Alejandra; Casanovas, Jordi; Curco, David; Nussinov, Ruth; Aleman, Carlos

2009-01-01

Recently, a potentially powerful strategy based on the of phage-display libraries has been presented to target tumors via homing peptides attached to nanoparticles. The Cys-Arg-Glu-Lys-Ala (CREKA) peptide sequence has been identified as a tumor-homing peptide that binds to clotted plasmas proteins present in tumor vessels and interstitium. The aim of this work consists of mapping the conformational profile of CREKA to identify the bioactive conformation. For this purpose, a conformational search procedure based on modified Simulated Annealing combined with Molecular Dynamics was applied to three systems that mimic the experimentally used conditions: (i) the free peptide; (ii) the peptide attached to a nanoparticle; and (iii) the peptide inserted in a phage display protein. In addition, the free peptide was simulated in an ionized aqueous solution environment, which mimics the ionic strength of the physiological medium. Accessible minima of all simulated systems reveal a multiple interaction pattern involving the ionized side chains of Arg, Glu and Lys, which induces a β-turn motif in the backbone observed in all simulated CREKA systems. PMID:18588341

Measured and Simulated Dark J-V Characteristics of a-Si:H Single Junction p-i-n Solar Cells Irradiated with 40 keV Electrons

NASA Technical Reports Server (NTRS)

Lord, Kenneth; Woodyard, James R.

2002-01-01

The effect of 40 keV electron irradiation on a-Si:H p-i-n single-junction solar cells was investigated using measured and simulated dark J-V characteristics. EPRI-AMPS and PC-1D simulators were explored for use in the studies. The EPRI-AMPS simulator was employed and simulator parameters selected to produce agreement with measured J-V characteristics. Three current mechanisms were evident in the measured dark J-V characteristics after electron irradiation, namely, injection, shunting and a term of the form CV(sup m). Using a single discrete defect state level at the center of the band gap, good agreement was achieved between measured and simulated J-V characteristics in the forward-bias voltage region where the dark current density was dominated by injection. The current mechanism of the form CV(sup m) was removed by annealing for two hours at 140 C. Subsequent irradiation restored the CV(sup m) current mechanism and it was removed by a second anneal. Some evidence of the CV(sup m) term is present in device simulations with a higher level of discrete density of states located at the center of the bandgap.

A rule of seven in Watson-Crick base-pairing of mismatched sequences.

PubMed

Cisse, Ibrahim I; Kim, Hajin; Ha, Taekjip

2012-05-13

Sequence recognition through base-pairing is essential for DNA repair and gene regulation, but the basic rules governing this process remain elusive. In particular, the kinetics of annealing between two imperfectly matched strands is not well characterized, despite its potential importance in nucleic acid-based biotechnologies and gene silencing. Here we use single-molecule fluorescence to visualize the multiple annealing and melting reactions of two untethered strands inside a porous vesicle, allowing us to precisely quantify the annealing and melting rates. The data as a function of mismatch position suggest that seven contiguous base pairs are needed for rapid annealing of DNA and RNA. This phenomenological rule of seven may underlie the requirement for seven nucleotides of complementarity to seed gene silencing by small noncoding RNA and may help guide performance improvement in DNA- and RNA-based bio- and nanotechnologies, in which off-target effects can be detrimental.

Identifying fracture‐zone geometry using simulated annealing and hydraulic‐connection data

USGS Publications Warehouse

Day-Lewis, Frederick D.; Hsieh, Paul A.; Gorelick, Steven M.

2000-01-01

A new approach is presented to condition geostatistical simulation of high‐permeability zones in fractured rock to hydraulic‐connection data. A simulated‐annealing algorithm generates three‐dimensional (3‐D) realizations conditioned to borehole data, inferred hydraulic connections between packer‐isolated borehole intervals, and an indicator (fracture zone or background‐K bedrock) variogram model of spatial variability. We apply the method to data from the U.S. Geological Survey Mirror Lake Site in New Hampshire, where connected high‐permeability fracture zones exert a strong control on fluid flow at the hundred‐meter scale. Single‐well hydraulic‐packer tests indicate where permeable fracture zones intersect boreholes, and multiple‐well pumping tests indicate the degree of hydraulic connection between boreholes. Borehole intervals connected by a fracture zone exhibit similar hydraulic responses, whereas intervals not connected by a fracture zone exhibit different responses. Our approach yields valuable insights into the 3‐D geometry of fracture zones at Mirror Lake. Statistical analysis of the realizations yields maps of the probabilities of intersecting specific fracture zones with additional wells. Inverse flow modeling based on the assumption of equivalent porous media is used to estimate hydraulic conductivity and specific storage and to identify those fracture‐zone geometries that are consistent with hydraulic test data.

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

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

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir; Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar; Thamburaja, P., E-mail: prakash.thamburaja@gmail.com

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substratemore » and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.« less

Atomic structures of B20 FeGe thin films grown on the Si(111) surface

NASA Astrophysics Data System (ADS)

Kim, Wondong; Noh, Seungkyun; Yoon, Jisoo; Kim, Young Heon; Lee, Inho; Kim, Jae-Sung; Hwang, Chanyong

We investigated the growth and atomic structures of FeGe thin films on the Si (111) surface by using scanning tunneling microscopy (STM) and transmission electron microscopy (TEM). The 2 5nm- thick FeGe thin films were prepared on the clean Si(111) 7x7 surface by co-deposition of Fe and Ge from separated electron-beam evaporators. With direct deposition on the substrate at the temperature above 550 K, the surface of FeGe films was not smooth and consisted of coarse grains. By the combination of room-temperature annealing and post-annealing process around 800 K, the structure of FeGe thin films evolved into the well crystalized structures. Atom-resolved STM images revealed that there are at least four different surface terminations. We constructed atomic models for each surface terminations based on the bulk atomic arrangement of a B20 chiral structure and confirmed that the observed STM images are successfully reproduced by using computational simulations employing Vienna Ab Initio Simulation package (VASP) with a B20 chiral structure model. TEM cross-sectional images also support our atomic models by revealing clearly the characteristic zigzag features of B20 structures of FeGe(111) thin films.

Implant Monitoring Measurements On Ultra Shallow Implants Before And After Anneal Using Photomodulated Reflection And Junction Photovoltage Measurement Techniques

NASA Astrophysics Data System (ADS)

Tallian, M.; Pap, A.; Mocsar, K.; Somogyi, A.; Nadudvari, Gy.; Kosztka, D.; Pavelka, T.

2011-01-01

Ultra shallow junctions are becoming widely used in the micro- and nanoelectronic devices, and novel measurement methods are needed to monitor the manufacturing processes. Photomodulated Reflection measurements before anneal and Junction Photovoltage-based sheet resistance measurements after anneal are non-contact, nondestructive techniques suitable for characterizing both the implantation and the annealing process. Tests verify that these methods are consistent with each other and by using them together, defects originating in the implantation and anneal steps can be separated.

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

Investigation of the Stability and 1.0 MeV Proton Radiation Resistance of Commercially Produced Hydrogenated Amorphous Silicon Alloy Solar Cells

NASA Technical Reports Server (NTRS)

Lord, Kenneth R., II; Walters, Michael R.; Woodyard, James R.

1994-01-01

The radiation resistance of commercial solar cells fabricated from hydrogenated amorphous silicon alloys is reported. A number of different device structures were irradiated with 1.0 MeV protons. The cells were insensitive to proton fluences below 1E12 sq cm. The parameters of the irradiated cells were restored with annealing at 200 C. The annealing time was dependent on proton fluence. Annealing devices for one hour restores cell parameters for fluences below 1E14 sq cm fluences above 1E14 sq cm require longer annealing times. A parametric fitting model was used to characterize current mechanisms observed In dark I-V measurements. The current mechanism were explored with irradiation fluence, and voltage and light soaking times. The thermal generation current density and quality factor increased with proton fluence. Device simulation shows the degradation in cell characteristics may be explained by the reduction of the electric field in the intrinsic layer.

Inverted Apatite (U-Th)/He and Fission-track Dates from the Rae craton, Baffin Island, Canada and Implications for Apatite Radiation Damage-He Diffusivity Models

NASA Astrophysics Data System (ADS)

Ault, A. K.; Reiners, P. W.; Thomson, S. N.; Miller, G. H.

2015-12-01

Coupled apatite (U-Th)/He and fission-track (AFT) thermochronology data from the same sample can be used to decipher complex low temperature thermal histories and evaluate compatibility between these two methods. Existing apatite He damage-diffusivity models parameterize radiation damage annealing as fission-track annealing and yield inverted apatite He and AFT dates for samples with prolonged residence in the He partial retention zone. Apatite chemistry also impacts radiation damage and fission-track annealing, temperature sensitivity, and dates in both systems. We present inverted apatite He and AFT dates from the Rae craton, Baffin Island, Canada, that cannot be explained by apatite chemistry or existing damage-diffusivity and fission track models. Apatite He dates from 34 individual analyses from 6 samples range from 237 ± 44 Ma to 511 ± 25 Ma and collectively define a positive date-eU relationship. AFT dates from these same samples are 238 ± 15 Ma to 350 ± 20 Ma. These dates and associated track length data are inversely correlated and define the left segment of a boomerang diagram. Three of the six samples with 20-90 ppm eU apatite grains yield apatite He and AFT dates inverted by 300 million years. These samples have average apatite Cl chemistry of ≤0.02 wt.%, with no correlation between Cl content and Dpar. Thermal history simulations using geologic constraints, an apatite He radiation damage accumulation and annealing model, apatite He dates with the range of eU values, and AFT date and track length data, do not yield any viable time-temperature paths. Apatite He and AFT data modeled separately predict thermal histories with Paleozoic-Mesozoic peaks reheating temperatures differing by ≥15 °C. By modifying the parameter controlling damage annealing (Rmr0) from the canonical 0.83 to 0.5-0.6, forward models reproduce the apatite He date-eU correlation and AFT dates with a common thermal history. Results imply apatite radiation damage anneals at higher temperatures than fission-track damage and the impact on coupled apatite He and AFT dates is magnified for protracted cooling histories. Further experimental and field-based tests are important for refining radiation damage and fission-track annealing parameters for accurate interpretation of apatite He- and AFT-derived thermal histories.

Nanorods on surface of GaN-based thin-film LEDs deposited by post-annealing after photo-assisted chemical etching

NASA Astrophysics Data System (ADS)

Chen, Lung-Chien; Lin, Wun-Wei; Liu, Te-Yu

2017-01-01

This study investigates the optoelectronic characteristics of gallium nitride (GaN)-based thin-film light-emitting diodes (TF-LEDs) that are formed by a two-step transfer process that involves wet etching and post-annealing. In the two-step transfer process, GaN LEDs were stripped from sapphire substrates by the laser lift-off (LLO) method using a KrF laser and then transferred onto ceramic substrates. Ga-K nanorods were formed on the surface of the GaN-based TF-LEDs following photo-assisted chemical etching and photo-enhanced post-annealing at 100 °C for 1 min. As a result, the light output power of GaN-based TF-LEDs with wet etching and post-annealing was over 72% more than that of LEDs that did not undergo these treatments.

Dynamics of open quantum systems by interpolation of von Neumann and classical master equations, and its application to quantum annealing

NASA Astrophysics Data System (ADS)

Kadowaki, Tadashi

2018-02-01

We propose a method to interpolate dynamics of von Neumann and classical master equations with an arbitrary mixing parameter to investigate the thermal effects in quantum dynamics. The two dynamics are mixed by intervening to continuously modify their solutions, thus coupling them indirectly instead of directly introducing a coupling term. This maintains the quantum system in a pure state even after the introduction of thermal effects and obtains not only a density matrix but also a state vector representation. Further, we demonstrate that the dynamics of a two-level system can be rewritten as a set of standard differential equations, resulting in quantum dynamics that includes thermal relaxation. These equations are equivalent to the optical Bloch equations at the weak coupling and asymptotic limits, implying that the dynamics cause thermal effects naturally. Numerical simulations of ferromagnetic and frustrated systems support this idea. Finally, we use this method to study thermal effects in quantum annealing, revealing nontrivial performance improvements for a spin glass model over a certain range of annealing time. This result may enable us to optimize the annealing time of real annealing machines.

Effect of forming gas annealing on the degradation properties of Ge-based MOS stacks

NASA Astrophysics Data System (ADS)

Aguirre, F.; Pazos, S.; Palumbo, F. R. M.; Fadida, S.; Winter, R.; Eizenberg, M.

2018-04-01

The influence of forming gas annealing on the degradation at a constant stress voltage of multi-layered germanium-based Metal-Oxide-Semiconductor capacitors (p-Ge/GeOx/Al2O3/High-K/Metal Gate) has been analyzed in terms of the C-V hysteresis and flat band voltage as a function of both negative and positive stress fields. Significant differences were found for the case of negative voltage stress between the annealed and non-annealed samples, independently of the stressing time. It was found that the hole trapping effect decreases in the case of the forming gas annealed samples, indicating strong passivation of defects with energies close to the valence band existing in the oxide-semiconductor interface during the forming gas annealing. Finally, a comparison between the degradation dynamics of Germanium and III-V (n-InGaAs) MOS stacks is presented to summarize the main challenges in the integration of reliable Ge-III-V hybrid devices.

Effects of processing and dopant on radiation damage removal in silicon solar cells

NASA Technical Reports Server (NTRS)

Weinberg, I.; Brandhorst, H. W., Jr.; Swartz, C. K.; Mehta, S.

1982-01-01

Gallium and boron doped silicon solar cells, processed by ion-implantation followed by either laser or furnace anneal were irradiated by 1 MeV electrons and their post-irradiation recovery by thermal annealing determined. During the post-irradiation anneal, gallium-doped cells prepared by both processes recovered more rapidly and exhibited none of the severe reverse annealing observed for similarly processed 2 ohm-cm boron doped cells. Ion-implanted furnace annealed 0.1 ohm-cm boron doped cells exhibited the lowest post-irradiation annealing temperatures (200 C) after irradiation to 5 x 10 to the 13th e(-)/sq cm. The drastically lowered recovery temperature is attributed to the reduced oxygen and carbon content of the 0.1 ohm-cm cells. Analysis based on defect properties and annealing kinetics indicates that further reduction in annealing temperature should be attainable with further reduction in the silicon's carbon and/or divacancy content after irradiation.

Mechanism for accurate, protein-assisted DNA annealing by Deinococcus radiodurans DdrB

PubMed Central

Sugiman-Marangos, Seiji N.; Weiss, Yoni M.; Junop, Murray S.

2016-01-01

Accurate pairing of DNA strands is essential for repair of DNA double-strand breaks (DSBs). How cells achieve accurate annealing when large regions of single-strand DNA are unpaired has remained unclear despite many efforts focused on understanding proteins, which mediate this process. Here we report the crystal structure of a single-strand annealing protein [DdrB (DNA damage response B)] in complex with a partially annealed DNA intermediate to 2.2 Å. This structure and supporting biochemical data reveal a mechanism for accurate annealing involving DdrB-mediated proofreading of strand complementarity. DdrB promotes high-fidelity annealing by constraining specific bases from unauthorized association and only releases annealed duplex when bound strands are fully complementary. To our knowledge, this mechanism provides the first understanding for how cells achieve accurate, protein-assisted strand annealing under biological conditions that would otherwise favor misannealing. PMID:27044084

Effects of cooling rate and stabilization annealing on fatigue behavior of β-processed Ti-6Al-4V alloys

NASA Astrophysics Data System (ADS)

Seo, Wongyu; Jeong, Daeho; Lee, Dongjun; Sung, Hyokyung; Kwon, Yongnam; Kim, Sangshik

2017-07-01

The effects of stabilization annealing and cooling rate on high cycle fatigue (HCF) and fatigue crack propagation (FCP) behaviors of β-processed Ti64 alloys were examined. After β-process heating above β transus, two different cooling rates of air cooling (β-annealing) and water quenching (β-quenching) were utilized. Selected specimens were then underwent stabilization annealing. The tensile tests, HCF and FCP tests on conducted on the β-processed Ti64 specimens with and without stabilization annealing. No notable microstructural and mechanical changes with stabilization annealing was observed for the β-annealed Ti64 alloys. However, significant effect of stabilization annealing was found on the FCP behavior of β-quenched Ti64 alloys, which appeared to be related to the built-up of residual stress after quenching. The mechanical behavior of β-processed Ti64 alloys with and with stabilization annealing was discussed based on the micrographic examination, including crack growth path and crack nucleation site, and fractographic analysis.

Optimal mapping of irregular finite element domains to parallel processors

NASA Technical Reports Server (NTRS)

Flower, J.; Otto, S.; Salama, M.

1987-01-01

Mapping the solution domain of n-finite elements into N-subdomains that may be processed in parallel by N-processors is an optimal one if the subdomain decomposition results in a well-balanced workload distribution among the processors. The problem is discussed in the context of irregular finite element domains as an important aspect of the efficient utilization of the capabilities of emerging multiprocessor computers. Finding the optimal mapping is an intractable combinatorial optimization problem, for which a satisfactory approximate solution is obtained here by analogy to a method used in statistical mechanics for simulating the annealing process in solids. The simulated annealing analogy and algorithm are described, and numerical results are given for mapping an irregular two-dimensional finite element domain containing a singularity onto the Hypercube computer.

Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing.

PubMed

Feng, Yingang

2017-01-01

The use of NMR methods to determine the three-dimensional structures of carbohydrates and glycoproteins is still challenging, in part because of the lack of standard protocols. In order to increase the convenience of structure determination, the topology and parameter files for carbohydrates in the program Crystallography & NMR System (CNS) were investigated and new files were developed to be compatible with the standard simulated annealing protocols for proteins and nucleic acids. Recalculating the published structures of protein-carbohydrate complexes and glycosylated proteins demonstrates that the results are comparable to the published structures which employed more complex procedures for structure calculation. Integrating the new carbohydrate parameters into the standard structure calculation protocol will facilitate three-dimensional structural study of carbohydrates and glycosylated proteins by NMR spectroscopy.

Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing

PubMed Central

2017-01-01

The use of NMR methods to determine the three-dimensional structures of carbohydrates and glycoproteins is still challenging, in part because of the lack of standard protocols. In order to increase the convenience of structure determination, the topology and parameter files for carbohydrates in the program Crystallography & NMR System (CNS) were investigated and new files were developed to be compatible with the standard simulated annealing protocols for proteins and nucleic acids. Recalculating the published structures of protein-carbohydrate complexes and glycosylated proteins demonstrates that the results are comparable to the published structures which employed more complex procedures for structure calculation. Integrating the new carbohydrate parameters into the standard structure calculation protocol will facilitate three-dimensional structural study of carbohydrates and glycosylated proteins by NMR spectroscopy. PMID:29232406

Shape optimization of road tunnel cross-section by simulated annealing

NASA Astrophysics Data System (ADS)

Sobótka, Maciej; Pachnicz, Michał

2016-06-01

The paper concerns shape optimization of a tunnel excavation cross-section. The study incorporates optimization procedure of the simulated annealing (SA). The form of a cost function derives from the energetic optimality condition, formulated in the authors' previous papers. The utilized algorithm takes advantage of the optimization procedure already published by the authors. Unlike other approaches presented in literature, the one introduced in this paper takes into consideration a practical requirement of preserving fixed clearance gauge. Itasca Flac software is utilized in numerical examples. The optimal excavation shapes are determined for five different in situ stress ratios. This factor significantly affects the optimal topology of excavation. The resulting shapes are elongated in the direction of a principal stress greater value. Moreover, the obtained optimal shapes have smooth contours circumscribing the gauge.

Jovian vortices by simulated annealing

NASA Astrophysics Data System (ADS)

Morrison, P. J.; Flierl, G. R.; Swaminathan, R. V.

2017-11-01

We explore the conditions required for isolated vortices to exist in sheared zonal flows and the stability of the underlying zonal winds. This is done using the standard 2-layer quasigeostrophic model with the lower layer depth becoming infinite; however, this model differs from the usual layer model because the lower layer is not assumed to be motionless but has a steady configuration of alternating zonal flows. Steady state vortices are obtained by a simulated annealing computational method introduced in, generalized and applied in in fluid flow, and used in the context of magnetohydrodynamics in. Various cases of vortices with a constant potential vorticity anomaly atop zonal winds and the stability of the underlying winds are considered using a mix of computational and analytical techniques. U.S. Department of Energy Contract DE-FG05-80ET-53088.

Effect of stabilization annealing on SCC susceptibility of β-annealed Ti-6Al-4V alloy in 0.6 M NaCl solution

NASA Astrophysics Data System (ADS)

Jeong, Daeho; Park, Jiho; Ahn, Soojin; Sung, Hyokyung; Kwon, Yongnam; Kim, Sangshik

2018-01-01

The effect of stabilization annealing on the stress corrosion cracking (SCC) susceptibility of β-annealed Ti-6Al-4V (Ti64) alloy was examined in an aqueous 0.6 M NaCl solution under various applied potentials of +0.1, -0.05 and -0.1 V vs Ecorr, respectively, at a strain rate of 10 -6 s -1. The stabilization annealing substantially improved the resistance to SCC of β-annealed Ti64 alloy in 0.6 M NaCl solution under cathodic applied potentials, while the effect was marginal under an anodic applied potential. It was also noted that the areal fraction between ductile and brittle fracture of β-annealed Ti64 specimens, which were slow strain rate tested in 0.6 M NaCl solution, varied with stabilization annealing and applied potentials. The effect of stabilization annealing on the SCC behavior of β-annealed Ti64 alloy in SCC-causing environment was discussed based on the micrographic and fractographic observation.

The atomic-scale nucleation mechanism of NiTi metallic glasses upon isothermal annealing studied via molecular dynamics simulations.

PubMed

Li, Yang; Li, JiaHao; Liu, BaiXin

2015-10-28

Nucleation is one of the most essential transformation paths in phase transition and exerts a significant influence on the crystallization process. Molecular dynamics simulations were performed to investigate the atomic-scale nucleation mechanisms of NiTi metallic glasses upon devitrification at various temperatures (700 K, 750 K, 800 K, and 850 K). Our simulations reveal that at 700 K and 750 K, nucleation is polynuclear with high nucleation density, while at 800 K it is mononuclear. The underlying nucleation mechanisms have been clarified, manifesting that nucleation can be induced either by the initial ordered clusters (IOCs) or by the other precursors of nuclei evolved directly from the supercooled liquid. IOCs and other precursors stem from the thermal fluctuations of bond orientational order in supercooled liquids during the quenching process and during the annealing process, respectively. The simulation results not only elucidate the underlying nucleation mechanisms varied with temperature, but also unveil the origin of nucleation. These discoveries offer new insights into the devitrification mechanism of metallic glasses.

PECVD silicon-rich nitride and low stress nitride films mechanical characterization using membrane point load deflection

NASA Astrophysics Data System (ADS)

Bagolini, Alvise; Picciotto, Antonino; Crivellari, Michele; Conci, Paolo; Bellutti, Pierluigi

2016-02-01

An analysis of the mechanical properties of plasma enhanced chemical vapor (PECVD) silicon nitrides is presented, using micro fabricated silicon nitride membranes under point load deflection. The membranes are made of PECVD silicon-rich nitride and low stress nitride films. The mechanical performance of the bended membranes is examined both with analytical models and finite element simulation in order to extract the elastic modulus and residual stress values. The elastic modulus of low stress silicon nitride is calculated using stress free analytical models, while for silicon-rich silicon nitride and annealed low stress silicon nitride it is estimated with a pre-stressed model of point-load deflection. The effect of annealing both in nitrogen and hydrogen atmosphere is evaluated in terms of residual stress, refractive index and thickness variation. It is demonstrated that a hydrogen rich annealing atmosphere induces very little change in low stress silicon nitride. Nitrogen annealing effects are measured and shown to be much higher in silicon-rich nitride than in low stress silicon nitride. An estimate of PECVD silicon-rich nitride elastic modulus is obtained in the range between 240-320 GPa for deposited samples and 390 GPa for samples annealed in nitrogen atmosphere. PECVD low stress silicon nitride elastic modulus is estimated to be 88 GPa as deposited and 320 GPa after nitrogen annealing.

Improved characteristics of amorphous indium-gallium-zinc-oxide-based resistive random access memory using hydrogen post-annealing

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

Kang, Dae Yun; Lee, Tae-Ho; Kim, Tae Geun, E-mail: tgkim1@korea.ac.kr

The authors report an improvement in resistive switching (RS) characteristics of amorphous indium-gallium-zinc-oxide (a-IGZO)-based resistive random access memory devices using hydrogen post-annealing. Because this a-IGZO thin film has oxygen off-stoichiometry in the form of deficient and excessive oxygen sites, the film properties can be improved by introducing hydrogen atoms through the annealing process. After hydrogen post-annealing, the device exhibited a stable bipolar RS, low-voltage set and reset operation, long retention (>10{sup 5 }s), good endurance (>10{sup 6} cycles), and a narrow distribution in each current state. The effect of hydrogen post-annealing is also investigated by analyzing the sample surface using X-raymore » photon spectroscopy and atomic force microscopy.« less

Reduced annealing temperatures in silicon solar cells

NASA Technical Reports Server (NTRS)

Weinberg, I.; Swartz, C. K.

1981-01-01

Cells irradiated to a fluence of 5x10,000,000,000,000/square cm showed short circuit current on annealing at 200 C, with complete annealing occurring at 275 C. Cells irradiated to 100,000,000,000,000/square cm showed a reduction in annealing temperature from the usual 500 to 300 C. Annealing kinetic studies yield an activation energy of (1.5 + or - 2) eV for the low fluence, low temperature anneal. Comparison with activation energies previously obtained indicate that the presently obtained activation energy is consistent with the presence of either the divacancy or the carbon interstitial carbon substitutional pair, a result which agrees with the conclusion based on defect behavior in boron-doped silicon.

Effect of sub-Tg annealing on CuZr and AlSm glasses: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Sun, Yang; Zhang, Feng; Zhang, Yue; Ye, Zhuo; Mendelev, Mikhail; Wang, Cai-Zhuang; Ho, Kai-Ming

Cu65Zr35 and Al90Sm10 glasses, which represent strong and marginal binary metallic glass formers, respectively, were developed with a sub-Tg annealing method using Molecular Dynamics simulations. The short-range order (SRO) in both systems was characterized based on the concept of ``crystal gene'' that we established recently. Furthermore, we found that while the local clusters representing the dominant short-range order form an ever-more pronounced interpenetrating network with slower cooling rates in Cu65Zr35 glasses, the interpenetration of SRO in Al90Sm10 glasses only shows a weak dependence on the cooling rate. This clear difference in the connectivity of the SRO, which can characterize the medium-range order (MRO), could contribute to the different glass forming abilities of both systems. Work at Ames Laboratory was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division, under Contract No. DE-AC02-07CH11358.

Annealing Ant Colony Optimization with Mutation Operator for Solving TSP

PubMed Central

2016-01-01

Ant Colony Optimization (ACO) has been successfully applied to solve a wide range of combinatorial optimization problems such as minimum spanning tree, traveling salesman problem, and quadratic assignment problem. Basic ACO has drawbacks of trapping into local minimum and low convergence rate. Simulated annealing (SA) and mutation operator have the jumping ability and global convergence; and local search has the ability to speed up the convergence. Therefore, this paper proposed a hybrid ACO algorithm integrating the advantages of ACO, SA, mutation operator, and local search procedure to solve the traveling salesman problem. The core of algorithm is based on the ACO. SA and mutation operator were used to increase the ants population diversity from time to time and the local search was used to exploit the current search area efficiently. The comparative experiments, using 24 TSP instances from TSPLIB, show that the proposed algorithm outperformed some well-known algorithms in the literature in terms of solution quality. PMID:27999590

Flexible bottom-gate graphene transistors on Parylene C substrate and the effect of current annealing

PubMed Central

Kim, Hyungsoo; Bong, Jihye; Mikael, Solomon; Kim, Tong June; Williams, Justin C.; Ma, Zhenqiang

2016-01-01

Flexible graphene transistors built on a biocompatible Parylene C substrate would enable active circuitry to be integrated into flexible implantable biomedical devices. An annealing method to improve the performance of a flexible transistor without damaging the flexible substrate is also desirable. Here, we present a fabrication method of a flexible graphene transistor with a bottom-gate coplanar structure on a Parylene C substrate. Also, a current annealing method and its effect on the device performance have been studied. The localized heat generated by the current annealing method improves the drain current, which is attributed to the decreased contact resistance between graphene and S/D electrodes. A maximum current annealing power in the Parylene C-based graphene transistor has been extracted to provide a guideline for an appropriate current annealing. The fabricated flexible graphene transistor shows a field-effect mobility, maximum transconductance, and a Ion/Ioff ratio of 533.5 cm2/V s, 58.1 μS, and 1.76, respectively. The low temperature process and the current annealing method presented here would be useful to fabricate two-dimensional materials-based flexible electronics. PMID:27795570

PID controller tuning using metaheuristic optimization algorithms for benchmark problems

NASA Astrophysics Data System (ADS)

Gholap, Vishal; Naik Dessai, Chaitali; Bagyaveereswaran, V.

2017-11-01

This paper contributes to find the optimal PID controller parameters using particle swarm optimization (PSO), Genetic Algorithm (GA) and Simulated Annealing (SA) algorithm. The algorithms were developed through simulation of chemical process and electrical system and the PID controller is tuned. Here, two different fitness functions such as Integral Time Absolute Error and Time domain Specifications were chosen and applied on PSO, GA and SA while tuning the controller. The proposed Algorithms are implemented on two benchmark problems of coupled tank system and DC motor. Finally, comparative study has been done with different algorithms based on best cost, number of iterations and different objective functions. The closed loop process response for each set of tuned parameters is plotted for each system with each fitness function.

Softening due to disordered grain boundaries in nanocrystalline Co.

PubMed

Yuasa, Motohiro; Hakamada, Masataka; Nakano, Hiromi; Mabuchi, Mamoru; Chino, Yasumasa

2013-08-28

Nanocrystalline Co consisting of fcc and hcp phases was processed by electrodeposition, and its mechanical properties were investigated by hardness tests. In addition, high-resolution transmission electron microscopy observations and molecular dynamics (MD) simulations were performed to investigate the grain boundary structure and dislocation nucleation from the grain boundaries. A large amount of disorders existed at the grain boundaries and stacking faults were formed from the grain boundaries in the as-deposited Co specimen. The as-deposited specimen showed a lower hardness than did the annealed specimen, although the grain size of the former was smaller than that of the latter. The activation volume of the as-deposited specimen (=1.5b(3)) was lower than that of the annealed specimen (=50b(3)), thus indicating that nucleation of dislocations from grain boundaries is more active in the as-deposited specimen than in the annealed specimens. The MD simulations showed that dislocation nucleation was closely related to a change in the defect structures at the boundary. Therefore, it is suggested that a significant amount of defects enhance changes in the defect structures at the boundary, resulting in softening of the as-deposited specimen.

Softening due to disordered grain boundaries in nanocrystalline Co

NASA Astrophysics Data System (ADS)

Yuasa, Motohiro; Hakamada, Masataka; Nakano, Hiromi; Mabuchi, Mamoru; Chino, Yasumasa

2013-08-01

Nanocrystalline Co consisting of fcc and hcp phases was processed by electrodeposition, and its mechanical properties were investigated by hardness tests. In addition, high-resolution transmission electron microscopy observations and molecular dynamics (MD) simulations were performed to investigate the grain boundary structure and dislocation nucleation from the grain boundaries. A large amount of disorders existed at the grain boundaries and stacking faults were formed from the grain boundaries in the as-deposited Co specimen. The as-deposited specimen showed a lower hardness than did the annealed specimen, although the grain size of the former was smaller than that of the latter. The activation volume of the as-deposited specimen (=1.5b3) was lower than that of the annealed specimen (=50b3), thus indicating that nucleation of dislocations from grain boundaries is more active in the as-deposited specimen than in the annealed specimens. The MD simulations showed that dislocation nucleation was closely related to a change in the defect structures at the boundary. Therefore, it is suggested that a significant amount of defects enhance changes in the defect structures at the boundary, resulting in softening of the as-deposited specimen.

Mechanical annealing under low-amplitude cyclic loading in micropillars

NASA Astrophysics Data System (ADS)

Cui, Yi-nan; Liu, Zhan-li; Wang, Zhang-jie; Zhuang, Zhuo

2016-04-01

Mechanical annealing has been demonstrated to be an effective method for decreasing the overall dislocation density in submicron single crystal. However, simultaneously significant shape change always unexpectedly happens under extremely high monotonic loading to drive the pre-existing dislocations out of the free surfaces. In the present work, through in situ TEM experiments it is found that cyclic loading with low stress amplitude can drive most dislocations out of the submicron sample with virtually little change of the shape. The underlying dislocation mechanism is revealed by carrying out discrete dislocation dynamic (DDD) simulations. The simulation results indicate that the dislocation density decreases within cycles, while the accumulated plastic strain is small. By comparing the evolution of dislocation junction under monotonic, cyclic and relaxation deformation, the cumulative irreversible slip is found to be the key factor of promoting junction destruction and dislocation annihilation at free surface under low-amplitude cyclic loading condition. By introducing this mechanics into dislocation density evolution equations, the critical conditions for mechanical annealing under cyclic and monotonic loadings are discussed. Low-amplitude cyclic loading which strengthens the single crystal without seriously disturbing the structure has the potential applications in the manufacture of defect-free nano-devices.

Tunable optical response of bowtie nanoantenna arrays on thermoplastic substrates

NASA Astrophysics Data System (ADS)

Sharac, N.; Sharma, H.; Veysi, M.; Sanderson, R. N.; Khine, M.; Capolino, F.; Ragan, R.

2016-03-01

Thermally responsive polymers present an interesting avenue for tuning the optical properties of nanomaterials on their surfaces by varying their periodicity and shape using facile processing methods. Gold bowtie nanoantenna arrays are fabricated using nanosphere lithography on prestressed polyolefin (PO), a thermoplastic polymer, and optical properties are investigated via a combination of spectroscopy and electromagnetic simulations to correlate shape evolution with optical response. Geometric features of bowtie nanoantennas evolve by annealing at temperatures between 105 °C and 135 °C by releasing the degree of prestress in PO. Due to the higher modulus of Au versus PO, compressive stress occurs on Au bowtie regions on PO, which leads to surface buckling at the two highest annealing temperatures; regions with a 5 nm gap between bowtie nanoantennas are observed and the average reduction is 75%. Reflectance spectroscopy and full-wave electromagnetic simulations both demonstrate the ability to tune the plasmon resonance wavelength with a window of approximately 90 nm in the range of annealing temperatures investigated. Surface-enhanced Raman scattering measurements demonstrate that maximum enhancement is observed as the excitation wavelength approaches the plasmon resonance of Au bowtie nanoantennas. Both the size and morphology tunability offered by PO allows for customizing optical response.

Nanorods on surface of GaN-based thin-film LEDs deposited by post-annealing after photo-assisted chemical etching.

PubMed

Chen, Lung-Chien; Lin, Wun-Wei; Liu, Te-Yu

2017-12-01

This study investigates the optoelectronic characteristics of gallium nitride (GaN)-based thin-film light-emitting diodes (TF-LEDs) that are formed by a two-step transfer process that involves wet etching and post-annealing. In the two-step transfer process, GaN LEDs were stripped from sapphire substrates by the laser lift-off (LLO) method using a KrF laser and then transferred onto ceramic substrates. Ga-K nanorods were formed on the surface of the GaN-based TF-LEDs following photo-assisted chemical etching and photo-enhanced post-annealing at 100 °C for 1 min. As a result, the light output power of GaN-based TF-LEDs with wet etching and post-annealing was over 72% more than that of LEDs that did not undergo these treatments.

[Effects of different annealing conditions on the photoluminescence of nanoporous alumina film].

PubMed

Xie, Ning; Ma, Kai-Di; Shen, Yi-Fan; Wang, Qian

2013-12-01

The nanoporous alumina films were prepared by two-step anodic oxidation in 0.5 mol L-1 oxalic acid electrolyte at 40 V. Photoluminescence (PL) of nanoporous alumina films was investigated under different annealing atmosphere and different temperature. The authors got three results about the PL measurements. In the same annealing atmosphere, when the annealling temperature T< or =600 degreeC, the intensity of the PL peak increases with elevated annealing temperature and reaches a maximum value at 500 degreeC, but the intensity decreases with a further increase in the annealing temperature, and the PL peak intensity of samples increases with the increase in the annealing temperature when the annealling temperature T> or =800 degreeC. In the different annealling atmosphere, the change in the photoluminescence peak position for nanoporous alumina films with the increase in the annealing temperature is different: With the increase in the annealling temperature, the PL peak position for the samples annealed in air atmosphere is blue shifted, while the PL peak position for the samples annealed in vacuum atmosphere will not change. The PL spectra of nanoporous alumina films annealed at 1100 degreeC in air atmosphere can be de-convoluted by three Gaussian components at an excitation wavelength of 350 nm, with bands centered at 387, 410 and 439 nm, respectively. These results suggest that there might be three luminescence centers for the PL of annealed alumina films. At the same annealling temperature, the PL peak intensity of samples annealed in air atmosphere is stronger than that annealed in the vacuum. Based on the experimental results and the X-ray dispersive energy spectrum (EDS) combined with infrared reflect spectra, the luminescence mechanisms of nanoporous alumina films are discussed. There are three luminescence centers in the annealed nanoporous alumina films, which originate from the F center, F+ center and the center associated with the oxalic impurities. The effects of different annealing conditions on the photoluminescence of nanoporous alumina film are reasonably explained.

Production of intergranular attack of alloy 600, alloy 690, and alloy 800 tubing in tubesheet crevices: Topical report

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

Scott, D.B.; Glaves, C.L.,

1987-07-01

Three model boilers, manufactured to simulate full-size tube sheet crevices, were tested with various secondary side environments. The first was faulted with organics representative of the decomposition of humic acid. The second was faulted with sodium carbonate and sodium hydroxide, while the third was faulted with sodium sulfate and sodium hydroxide. Each model contained seven tubes, which included Alloy 600 in the mill-annealed (MA) and thermally-treated (TT) conditions and Alloy 690 in the thermally-treated condition. Two models contained Alloy 800 tubes in the mill-annealed condition and one had Alloy 800 in the mill-annealed/cold-worked/glass-bead-peened condition. Two different sizes of tubesheet crevicesmore » were used in all model boilers. In the organics-faulted boiler, tubes of Alloy 600MA, Alloy 690TT and Alloy 800MA experienced no significant intergranular attack (IGA); however, the Alloy 600TT had intergranular attack (IGA) three to four grains deep. The carbonate-caustic faulted boiler experienced throughwall stress corrosion cracking (SCC) in all tubes of Alloy 600 MA and Alloy 800 MA. Eddy current indications were present in Alloy 690TT, Alloy 600TT and Alloy 800 in the mill-annealed/cold worked/glass-bead-peened condition. Metallographic examination of tubes from the third model boiler, faulted with sodium sulfate and caustic, revealed IGA in the mill-annealed Alloy 600 tubes. The IGA was more extensive in an Alloy 600 tube annealed at 1700/sup 0/F than an Alloy 600 tube annealed at 1875/sup 0/F.« less

Correlations induced by depressing synapses in critically self-organized networks with quenched dynamics

NASA Astrophysics Data System (ADS)

Campos, João Guilherme Ferreira; Costa, Ariadne de Andrade; Copelli, Mauro; Kinouchi, Osame

2017-04-01

In a recent work, mean-field analysis and computer simulations were employed to analyze critical self-organization in networks of excitable cellular automata where randomly chosen synapses in the network were depressed after each spike (the so-called annealed dynamics). Calculations agree with simulations of the annealed version, showing that the nominal branching ratio σ converges to unity in the thermodynamic limit, as expected of a self-organized critical system. However, the question remains whether the same results apply to the biological case where only the synapses of firing neurons are depressed (the so-called quenched dynamics). We show that simulations of the quenched model yield significant deviations from σ =1 due to spatial correlations. However, the model is shown to be critical, as the largest eigenvalue of the synaptic matrix approaches unity in the thermodynamic limit, that is, λc=1 . We also study the finite size effects near the critical state as a function of the parameters of the synaptic dynamics.

Characterization of PEEK, PET and PI implanted with Mn ions and sub-sequently annealed

NASA Astrophysics Data System (ADS)

Mackova, A.; Malinsky, P.; Miksova, R.; Pupikova, H.; Khaibullin, R. I.; Slepicka, P.; Gombitová, A.; Kovacik, L.; Svorcik, V.; Matousek, J.

2014-04-01

Polyimide (PI), polyetheretherketone (PEEK) and polyethylene terephthalate (PET) foils were implanted with 80 keV Mn+ ions at room temperature at fluencies of 1.0 × 1015-1.0 × 1016 cm-2. Mn depth profiles determined by RBS were compared to SRIM 2012 and TRIDYN simulations. The processes taking place in implanted polymers under the annealing procedure were followed. The measured projected ranges RP differ slightly from the SRIM and TRIDYN simulation and the depth profiles are significantly broader (up to 2.4 times) than those simulated by SRIM, while TRIDYN simulations were in a reasonable agreement up to the fluence 0.5 × 1016 in PEEK. Oxygen and hydrogen escape from the implanted layer was examined using RBS and ERDA techniques. PET, PEEK and PI polymers exhibit oxygen depletion up to about 40% of its content in virgin polymers. The compositional changes induced by implantation to particular ion fluence are similar for all polymers examined. After annealing no significant changes of Mn depth distribution was observed even the further oxygen and hydrogen desorption from modified layers appeared. The surface morphology of implanted polymers was characterized using AFM. The most significant change in the surface roughness was observed on PEEK. Implanted Mn atoms tend to dissipate in the polymer matrix, but the Mn nanoparticles are too small to be observed on TEM micrographs. The electrical, optical and structural properties of the implanted and sub-sequently annealed polymers were investigated by sheet resistance measurement and UV-Vis spectroscopy. With increasing ion fluence, the sheet resistance decreases and UV-Vis absorbance increases simultaneously with the decline of optical band gap Eg. The most pronounced change in the resistance was found on PEEK. XPS spectroscopy shows that Mn appears as a mixture of Mn oxides. Mn metal component is not present. All results were discussed in comparison with implantation experiment using the various ion species (Ni, Co) and energies used in our former experiments. Interesting differences were found in Mn concentration distribution, Mn nano-particle creation and structural changes comparing to Ni, Co ions implantation into the same polymers.

Correlation between thermal annealing temperature and Joule-heating based insulator-metal transition in VO2 nanobeams

NASA Astrophysics Data System (ADS)

Rathi, Servin; Park, Jin-Hyung; Lee, In-yeal; Jin Kim, Min; Min Baik, Jeong; Kim, Gil-Ho

2013-11-01

Rapid thermal annealing of VO2 nanobeams in an ambient argon environment has been carried out at various temperatures after device fabrication. Our analysis revealed that increasing the annealing temperature from 200 °C to 400 °C results in the reduction of both ohmic and nanobeam resistances with an appreciable decrease in joule-heating based transition voltage and transition temperature, while samples annealed at 500 °C exhibited a conducting rutile-phase like characteristics at room temperature. In addition, these variation trends were explored using a physical model and the results were found to be in agreement with the observed results, thus verifying the model.

Effect of annealing temperature on the photoluminescence and scintillation properties of ZnO nanorods

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

Kurudirek, Sinem V.; Menkara, H.; Klein, Benjamin D. B.

2018-01-01

The effect of the annealing to enhance the photoluminescence (PL) and scintillation properties, as determined by pulse height distribution of alpha particle irradiation, has been investigated for solution grown ZnO nanorods For this investigation the ZnO nanorod arrays were grown on glass for 22 h at 95 ◦ C as a substrate using a solution based hydrothermal technique. The samples were first annealed for different times (30, 60, 90 and 120 min) at 300 ◦ C and then at different temperatures (100 ◦ C–600 ◦ C) in order to determine the optimum annealing time and temperature, respectively. Before annealing, themore » ZnO nanorod arrays showed a broad yellow–orange visible and near-band gap UV emission peaks. After annealing in a forming gas atmosphere, the intensity of the sub-band gap PL was significantly reduced and the near-band gap PL emission intensity correspondingly increased (especially at temperatures higher than 100 ◦ C). Based on the ratio of the peak intensity ratio before and after annealing, it was concluded that samples at 350 ◦ C for 90 min resulted in the best near-band gap PL emission. Similarly, the analysis of the pulse height spectrum resulting from alpha particles revealed that ZnO nanorod arrays similarly annealed at 350 ◦ C for 90 min exhibited the highest scintillation response.« less

Annealing effects on magnetic properties of silicone-coated iron-based soft magnetic composites

NASA Astrophysics Data System (ADS)

Wu, Shen; Sun, Aizhi; Zhai, Fuqiang; Wang, Jin; Zhang, Qian; Xu, Wenhuan; Logan, Philip; Volinsky, Alex A.

2012-03-01

This paper focuses on novel iron-based soft magnetic composites synthesis utilizing high thermal stability silicone resin to coat iron powder. The effect of an annealing treatment on the magnetic properties of synthesized magnets was investigated. The coated silicone insulating layer was characterized by scanning electron microscopy and energy dispersive X-ray spectroscopy. Silicone uniformly coated the powder surface, resulting in a reduction of the imaginary part of the permeability, thereby increasing the electrical resistivity and the operating frequency of the synthesized magnets. The annealing treatment increased the initial permeability, the maximum permeability, and the magnetic induction, and decreased the coercivity. Annealing at 580 °C increased the maximum permeability by 72.5%. The result of annealing at 580 °C shows that the ferromagnetic resonance frequency increased from 2 kHz for conventional epoxy resin coated samples to 80 kHz for the silicone resin insulated composites.

The Local Minima Problem in Hierarchical Classes Analysis: An Evaluation of a Simulated Annealing Algorithm and Various Multistart Procedures

ERIC Educational Resources Information Center

Ceulemans, Eva; Van Mechelen, Iven; Leenen, Iwin

2007-01-01

Hierarchical classes models are quasi-order retaining Boolean decomposition models for N-way N-mode binary data. To fit these models to data, rationally started alternating least squares (or, equivalently, alternating least absolute deviations) algorithms have been proposed. Extensive simulation studies showed that these algorithms succeed quite…

A cross-disciplinary introduction to quantum annealing-based algorithms

NASA Astrophysics Data System (ADS)

Venegas-Andraca, Salvador E.; Cruz-Santos, William; McGeoch, Catherine; Lanzagorta, Marco

2018-04-01

A central goal in quantum computing is the development of quantum hardware and quantum algorithms in order to analyse challenging scientific and engineering problems. Research in quantum computation involves contributions from both physics and computer science; hence this article presents a concise introduction to basic concepts from both fields that are used in annealing-based quantum computation, an alternative to the more familiar quantum gate model. We introduce some concepts from computer science required to define difficult computational problems and to realise the potential relevance of quantum algorithms to find novel solutions to those problems. We introduce the structure of quantum annealing-based algorithms as well as two examples of this kind of algorithms for solving instances of the max-SAT and Minimum Multicut problems. An overview of the quantum annealing systems manufactured by D-Wave Systems is also presented.

Photo-response behavior of organic transistors based on thermally annealed semiconducting diketopyrrolopyrrole core

NASA Astrophysics Data System (ADS)

Tarsoly, Gergely; Pyo, Seungmoon

2018-06-01

We report the opto-electrical response of organic field-effect transistors based on a thin-film of a semiconducting diketopyrrolopyrrole (DPP) core, a popular building block for molecular semiconductors, and a polymeric gate dielectric. The thin-film of the DPP core was thermally annealed at different temperatures under N2 atmosphere to investigate the relationship between the annealing temperature and the electrical properties of the device. The results showed that the annealing process induces morphological changes in the thin film, and properly controlling the thermal annealing conditions can enhance the device performance. In addition, we also investigated in detail the photo-response behaviors by analyzing the responsivity (R) of the device with the optimally annealed DPP-core thin film under two light illumination conditions by considering the irradiance absorbed by the thin film instead of the total irradiance of the light source. We found that the proposed model could lead to a light-source-independent description of the photo-response behavior of the device, and which can be used for other applications.

A hybrid genetic-simulated annealing algorithm for the location-inventory-routing problem considering returns under e-supply chain environment.

PubMed

Li, Yanhui; Guo, Hao; Wang, Lin; Fu, Jing

2013-01-01

Facility location, inventory control, and vehicle routes scheduling are critical and highly related problems in the design of logistics system for e-business. Meanwhile, the return ratio in Internet sales was significantly higher than in the traditional business. Many of returned merchandise have no quality defects, which can reenter sales channels just after a simple repackaging process. Focusing on the existing problem in e-commerce logistics system, we formulate a location-inventory-routing problem model with no quality defects returns. To solve this NP-hard problem, an effective hybrid genetic simulated annealing algorithm (HGSAA) is proposed. Results of numerical examples show that HGSAA outperforms GA on computing time, optimal solution, and computing stability. The proposed model is very useful to help managers make the right decisions under e-supply chain environment.

A simulated annealing approach for redesigning a warehouse network problem

NASA Astrophysics Data System (ADS)

Khairuddin, Rozieana; Marlizawati Zainuddin, Zaitul; Jiun, Gan Jia

2017-09-01

Now a day, several companies consider downsizing their distribution networks in ways that involve consolidation or phase-out of some of their current warehousing facilities due to the increasing competition, mounting cost pressure and taking advantage on the economies of scale. Consequently, the changes on economic situation after a certain period of time require an adjustment on the network model in order to get the optimal cost under the current economic conditions. This paper aimed to develop a mixed-integer linear programming model for a two-echelon warehouse network redesign problem with capacitated plant and uncapacitated warehouses. The main contribution of this study is considering capacity constraint for existing warehouses. A Simulated Annealing algorithm is proposed to tackle with the proposed model. The numerical solution showed the model and method of solution proposed was practical.

Scheduling Earth Observing Satellites with Evolutionary Algorithms

NASA Technical Reports Server (NTRS)

Globus, Al; Crawford, James; Lohn, Jason; Pryor, Anna

2003-01-01

We hypothesize that evolutionary algorithms can effectively schedule coordinated fleets of Earth observing satellites. The constraints are complex and the bottlenecks are not well understood, a condition where evolutionary algorithms are often effective. This is, in part, because evolutionary algorithms require only that one can represent solutions, modify solutions, and evaluate solution fitness. To test the hypothesis we have developed a representative set of problems, produced optimization software (in Java) to solve them, and run experiments comparing techniques. This paper presents initial results of a comparison of several evolutionary and other optimization techniques; namely the genetic algorithm, simulated annealing, squeaky wheel optimization, and stochastic hill climbing. We also compare separate satellite vs. integrated scheduling of a two satellite constellation. While the results are not definitive, tests to date suggest that simulated annealing is the best search technique and integrated scheduling is superior.

Study of crystallization mechanisms of Fe nanoparticle

NASA Astrophysics Data System (ADS)

Kien, P. H.; Trang, G. T. T.; Hung, P. K.

2017-06-01

In this paper, the nanoparticle (NP) Fe was investigated by means of molecular dynamics simulation. The crystallization mechanism was studied through the time evolution of crystal cluster and potential energies of different atom types. The simulation shows that the NP was crystallized into bcc crystal structure when it was annealed at 900 K for long times. At early stage of the annealing, small nuclei form in different places of NP and dissolve for short times. After long times some nuclei form and gather nearby which create the stable clusters in the core of NP. After that the crystal clusters grow in the direction to cover the core and then to spread into the surface of NP. Analyzing the energies of different type atoms, we found that the crystal growth is originated from specific atomic arrangement in the boundary region of crystal clusters.

Shape optimization of electrostatically driven microcantilevers using simulated annealing to enhance static travel range

NASA Astrophysics Data System (ADS)

Trivedi, R. R.; Joglekar, M. M.; Shimpi, R. P.; Pawaskar, D. N.

2013-12-01

The objective of this paper is to present a systematic development of the generic shape optimization of elec- trostatically actuated microcantilever beams for extending their static travel range. Electrostatic actuators are widely used in micro electro mechanical system (MEMS) devices because of low power density and ease of fab- rication. However, their useful travel range is often restricted by a phenomenon known as pull-in instability. The Rayleigh- Ritz energy method is used for computation of pull-in parameters which includes electrostatic potential and fringing field effect. Appropriate width function and linear thickness functions are employed along the length of the non-prismatic beam to achieve enhanced travel range. Parameters used for varying the thick- ness and width functions are optimized using simulated annealing with pattern search method towards the end to refine the results. Appropriate penalties are imposed on the violation of volume, width, thickness and area constraints. Nine test cases are considered for demonstration of the said optimization method. Our results indicate that around 26% increase in the travel range of a non-prismatic beam can be achieved after optimiza- tion compared to that in a prismatic beam having the same volume. Our results also show an improvement in the pull-in displacement of around 5% compared to that of a variable width constant thickness actuator. We show that simulated annealing is an effective and flexible method to carry out design optimization of structural elements under electrostatic loading.

Selective Growth of Low Stored Energy Grains During δ Sub-solvus Annealing in the Inconel 718 Nickel-Based Superalloy

NASA Astrophysics Data System (ADS)

Agnoli, Andrea; Bernacki, Marc; Logé, Roland; Franchet, Jean-Michel; Laigo, Johanne; Bozzolo, Nathalie

2015-09-01

The microstructure stability during δ sub-solvus annealing in Inconel 718 was investigated, focusing on the conditions that may lead to the development of very large grains (about 100 μm) in a recrystallized fine grained matrix (4 to 5 μm) despite the presence of second-phase particles. Microstructure evolution was analyzed by EBSD (grain size, intragranular misorientation) and SEM ( δ phase particles). Results confirm that, in the absence of stored energy, the grain structure is controlled by the δ phase particles, as predicted by the Smith-Zener equation. If the initial microstructure is strained ( ɛ < 0.1) before annealing, then low stored energy grains grow to a large extent, despite the Zener pinning forces exerted by the second-phase particles on the grain boundaries. Those selectively growing grains could be those of the initial microstructure that were the least deformed, or they could result from a nucleation process. The balance of three forces acting on boundary migration controls the growth process: if the sum of capillarity and stored energy driving forces exceeds the Zener pinning force, then selective grain growth occurs. Such phenomenon could be simulated, using a level set approach in a finite element context, by taking into account the three forces acting on boundary migration and by considering a realistic strain energy distribution (estimated from EBSD measurements).

In-situ crystallization of GeTe\\GaSb phase change memory stacked films

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

Velea, A., E-mail: alin.velea@psi.ch; National Institute of Materials Physics, RO-077125 Magurele, Ilfov; Borca, C. N.

2014-12-21

Single and double layer phase change memory structures based on GeTe and GaSb thin films were deposited by pulsed laser deposition (PLD). Their crystallization behavior was studied using in-situ synchrotron techniques. Electrical resistance vs. temperature investigations, using the four points probe method, showed transition temperatures of 138 °C and 198 °C for GeTe and GaSb single films, respectively. It was found that after GeTe crystallization in the stacked films, Ga atoms from the GaSb layer diffused in the vacancies of the GeTe crystalline structure. Therefore, the crystallization temperature of the Sb-rich GaSb layer is decreased by more than 30 °C. Furthermore, at 210 °C,more » the antimony excess from GaSb films crystallizes as a secondary phase. At higher annealing temperatures, the crystalline Sb phase increased on the expense of GaSb crystalline phase which was reduced. Extended X-ray absorption fine structure (EXAFS) measurements at the Ga and Ge K-edges revealed changes in their local atomic environments as a function of the annealing temperature. Simulations unveil a tetrahedral configuration in the amorphous state and octahedral configuration in the crystalline state for Ge atoms, while Ga is four-fold coordinated in both as-deposited and annealed samples.« less

Stabilizers as a design tool for new forms of the Lechner-Hauke-Zoller annealer

PubMed Central

Rocchetto, Andrea; Benjamin, Simon C.; Li, Ying

2016-01-01

In a recent paper, Lechner, Hauke, and Zoller (LHZ) described a means to translate a Hamiltonian of N spin-1/2 particles with “all-to-all” interactions into a larger physical lattice with only on-site energies and local parity constraints. LHZ used this mapping to propose a novel form of quantum annealing. We provide a stabilizer-based formulation within which we can describe both this prior approach and a wide variety of variants. Examples include a triangular array supporting all-to-all connectivity as well as arrangements requiring only 2N or N log N spins but providing interesting bespoke connectivities. Further examples show that arbitrarily high-order logical terms can be efficiently realized, even in a strictly two-dimensional layout. Our stabilizers can correspond to either even-parity constraints, as in the LHZ proposal, or odd-parity constraints. Considering the latter option applied to the original LHZ layout, we note that it may simplify the physical realization because the required ancillas are only spin-1/2 systems (that is, qubits rather than qutrits); moreover, the interactions are very simple. We make a preliminary assessment of the impact of these design choices by simulating small (few-qubit) systems; we find some indications that the new variant may maintain a larger minimum energy gap during the annealing process. PMID:27819050

Evaluation of the Mechanism of the Gold Cluster Growth during Heating of the Composite Gold-Polytetrafluoroethylene Thin Film.

PubMed

Grytsenko, Konstantin; Lozovski, Valeri; Strilchuk, Galyna; Schrader, Sigurd

2012-11-07

Nanocomposite films consisting of gold inclusions in the polytetrafluoroethylene (PTFE) matrix were obtained by thermal vacuum deposition. Annealing of the obtained films with different temperatures was used to measure varying of film morphologies. The dependence of optical properties of the films on their morphology was studied. It was established that absorption and profile of the nanocomposite film obtained by thermal vacuum deposition can be changed with annealing owing to the fact that different annealing temperatures lead to different average particle sizes. A method to calculate the optical properties of nanocomposite thin films with inclusions of different sizes was proposed. Thus, comparison of experimental optical spectra with the spectra obtained during the simulation enables estimating average sizes of inclusions. The calculations give the possibility of understanding morphological changes in the structures.

Design and landing dynamic analysis of reusable landing leg for a near-space manned capsule

NASA Astrophysics Data System (ADS)

Yue, Shuai; Nie, Hong; Zhang, Ming; Wei, Xiaohui; Gan, Shengyong

2018-06-01

To improve the landing performance of a near-space manned capsule under various landing conditions, a novel landing system is designed that employs double chamber and single chamber dampers in the primary and auxiliary struts, respectively. A dynamic model of the landing system is established, and the damper parameters are determined by employing the design method. A single-leg drop test with different initial pitch angles is then conducted to compare and validate the simulation model. Based on the validated simulation model, seven critical landing conditions regarding nine crucial landing responses are found by combining the radial basis function (RBF) surrogate model and adaptive simulated annealing (ASA) optimization method. Subsequently, the adaptability of the landing system under critical landing conditions is analyzed. The results show that the simulation effectively results match the test results, which validates the accuracy of the dynamic model. In addition, all of the crucial responses under their corresponding critical landing conditions satisfy the design specifications, demonstrating the feasibility of the landing system.

Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials.

PubMed

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun; Wang, Bei; Bremer, Peer-Timo; Papka, Michael E; Curtiss, Larry A; Pascucci, Valerio

2016-01-01

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.

Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials

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

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun

2016-01-01

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermallymore » annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.« less

Interstitial and interlayer ion diffusion geometry extraction in graphitic nanosphere battery materials

DOE PAGES

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun; ...

2016-01-31

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermallymore » annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Lastly, our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.« less

Impact of He and H relative depth distributions on the result of sequential He+ and H+ ion implantation and annealing in silicon

NASA Astrophysics Data System (ADS)

Cherkashin, N.; Daghbouj, N.; Seine, G.; Claverie, A.

2018-04-01

Sequential He++H+ ion implantation, being more effective than the sole implantation of H+ or He+, is used by many to transfer thin layers of silicon onto different substrates. However, due to the poor understanding of the basic mechanisms involved in such a process, the implantation parameters to be used for the efficient delamination of a superficial layer are still subject to debate. In this work, by using various experimental techniques, we have studied the influence of the He and H relative depth-distributions imposed by the ion energies onto the result of the sequential implantation and annealing of the same fluence of He and H ions. Analyzing the characteristics of the blister populations observed after annealing and deducing the composition of the gas they contain from FEM simulations, we show that the trapping efficiency of He atoms in platelets and blisters during annealing depends on the behavior of the vacancies generated by the two implants within the H-rich region before and after annealing. Maximum efficiency of the sequential ion implantation is obtained when the H-rich region is able to trap all implanted He ions, while the vacancies it generated are not available to favor the formation of V-rich complexes after implantation then He-filled nano-bubbles after annealing. A technological option is to implant He+ ions first at such an energy that the damage it generates is located on the deeper side of the H profile.

Maximum-Entropy Inference with a Programmable Annealer

PubMed Central

Chancellor, Nicholas; Szoke, Szilard; Vinci, Walter; Aeppli, Gabriel; Warburton, Paul A.

2016-01-01

Optimisation problems typically involve finding the ground state (i.e. the minimum energy configuration) of a cost function with respect to many variables. If the variables are corrupted by noise then this maximises the likelihood that the solution is correct. The maximum entropy solution on the other hand takes the form of a Boltzmann distribution over the ground and excited states of the cost function to correct for noise. Here we use a programmable annealer for the information decoding problem which we simulate as a random Ising model in a field. We show experimentally that finite temperature maximum entropy decoding can give slightly better bit-error-rates than the maximum likelihood approach, confirming that useful information can be extracted from the excited states of the annealer. Furthermore we introduce a bit-by-bit analytical method which is agnostic to the specific application and use it to show that the annealer samples from a highly Boltzmann-like distribution. Machines of this kind are therefore candidates for use in a variety of machine learning applications which exploit maximum entropy inference, including language processing and image recognition. PMID:26936311

Using experimental data to test an n -body dynamical model coupled with an energy-based clusterization algorithm at low incident energies

NASA Astrophysics Data System (ADS)

Kumar, Rohit; Puri, Rajeev K.

2018-03-01

Employing the quantum molecular dynamics (QMD) approach for nucleus-nucleus collisions, we test the predictive power of the energy-based clusterization algorithm, i.e., the simulating annealing clusterization algorithm (SACA), to describe the experimental data of charge distribution and various event-by-event correlations among fragments. The calculations are constrained into the Fermi-energy domain and/or mildly excited nuclear matter. Our detailed study spans over different system masses, and system-mass asymmetries of colliding partners show the importance of the energy-based clusterization algorithm for understanding multifragmentation. The present calculations are also compared with the other available calculations, which use one-body models, statistical models, and/or hybrid models.

Investigating the evolution of local structure around Er and Yb in ZnO:Er and ZnO:Er, Yb on annealing using X-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Anjana, R.; Jayaraj, M. K.; Yadav, A. K.; Jha, S. N.; Bhattacharyya, D.

2018-04-01

The local structure around Er and Yb centre in ZnO favouring upconversion luminescence was studied using EXAFS (Extended X-ray absorption fine structure spectroscopy). Due to the ionic radii difference between Zn and Er, Yb ions, the dopants cannot replace Zn in the ZnO lattice properly. Er2O3 and Yb2O3 impurity phases are formed at the grain boundaries of ZnO. It is found that the local structure around the Er centre in ZnO is modified on annealing in air. The symmetry around both erbium and ytterbium reduces with increase in annealing temperature. Symmetry reduction will favour the intra-4f transition and the energy transitions causing upconversion luminescence. By fitting the EXAFS data with theoretically simulated data, it is found that the Er centre forms a local structure similar to C4ν symmetry which is a distorted octahedron. On annealing the sample to 1200 °C, all the erbium centres are transformed to C4ν symmetry causing enhanced upconversion emission. Yb centre has also been modified on annealing. The decrease in co-ordination number with annealing temperature will decrease the symmetry and increase the near infrared absorption cross section. The decrease in symmetry around both the erbium and ytterbium centre and formation of C4ν symmetry around Er centre is the reason behind the activation of upconversion luminescence with high temperature annealing in both Er doped and Er, Yb co-doped ZnO samples. The study will be useful for the synthesis of high efficiency upconversion materials.

Thermal annealing response following irradiation of a CMOS imager for the JUICE JANUS instrument

NASA Astrophysics Data System (ADS)

Lofthouse-Smith, D.-D.; Soman, M. R.; Allanwood, E. A. H.; Stefanov, K. D.; Holland, A. D.; Leese, M.; Turne, P.

2018-03-01

ESA's JUICE (JUpiter ICy moon Explorer) spacecraft is an L-class mission destined for the Jovian system in 2030. Its primary goals are to investigate the conditions for planetary formation and the emergence of life, and how does the solar system work. The JANUS camera, an instrument on JUICE, uses a 4T back illuminated CMOS image sensor, the CIS115 designed by Teledyne e2v. JANUS imager test campaigns are studying the CIS115 following exposure to gammas, protons, electrons and heavy ions, simulating the harsh radiation environment present in the Jovian system. The degradation of 4T CMOS device performance following proton fluences is being studied, as well as the effectiveness of thermal annealing to reverse radiation damage. One key parameter for the JANUS mission is the Dark current of the CIS115, which has been shown to degrade in previous radiation campaigns. A thermal anneal of the CIS115 has been used to accelerate any annealing following the irradiation as well as to study the evolution of any performance characteristics. CIS115s have been irradiated to double the expected End of Life (EOL) levels for displacement damage radiation (2×1010 protons, 10 MeV equivalent). Following this, devices have undergone a thermal anneal cycle at 100oC for 168 hours to reveal the extent to which CIS115 recovers pre-irradiation performance. Dark current activation energy analysis following proton fluence gives information on trap species present in the device and how effective anneal is at removing these trap species. Thermal anneal shows no quantifiable change in the activation energy of the dark current following irradiation.

Annealing Induced Re-crystallization in CH3NH3PbI3−xClx for High Performance Perovskite Solar Cells

PubMed Central

Yang, Yingguo; Feng, Shanglei; Li, Meng; Xu, Weidong; Yin, Guangzhi; Wang, Zhaokui; Sun, Baoquan; Gao, Xingyu

2017-01-01

Using poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) as hole conductor, a series of inverted planar CH3NH3PbI3−xClx perovskite solar cells (PSCs) were fabricated based on perovskite annealed by an improved time-temperature dependent (TTD) procedure in a flowing nitrogen atmosphere for different time. Only after an optimum annealing time, an optimized power conversion efficiency of 14.36% could be achieved. To understand their performance dependence on annealing time, an in situ real-time synchrotron-based grazing incidence X-ray diffraction (GIXRD) was used to monitor a step-by-step gradual structure transformation from distinct mainly organic-inorganic hybrid materials into highly ordered CH3NH3PbI3 crystal during annealing. However, a re-crystallization process of perovskite crystal was observed for the first time during such an annealing procedure, which helps to enhance the perovskite crystallization and preferential orientations. The present GIXRD findings could well explain the drops of the open circuit voltage (Voc) and the fill factor (FF) during the ramping of temperature as well as the optimized power conversion efficiency achieved after an optimum annealing time. Thus, the present study not only illustrates clearly the decisive roles of post-annealing in the formation of solution-processed perovskite to better understand its formation mechanism, but also demonstrates the crucial dependences of device performance on the perovskite microstructure in PSCs. PMID:28429762

Harmony Search as a Powerful Tool for Feature Selection in QSPR Study of the Drugs Lipophilicity.

PubMed

Bahadori, Behnoosh; Atabati, Morteza

2017-01-01

Aims & Scope: Lipophilicity represents one of the most studied and most frequently used fundamental physicochemical properties. In the present work, harmony search (HS) algorithm is suggested to feature selection in quantitative structure-property relationship (QSPR) modeling to predict lipophilicity of neutral, acidic, basic and amphotheric drugs that were determined by UHPLC. Harmony search is a music-based metaheuristic optimization algorithm. It was affected by the observation that the aim of music is to search for a perfect state of harmony. Semi-empirical quantum-chemical calculations at AM1 level were used to find the optimum 3D geometry of the studied molecules and variant descriptors (1497 descriptors) were calculated by the Dragon software. The selected descriptors by harmony search algorithm (9 descriptors) were applied for model development using multiple linear regression (MLR). In comparison with other feature selection methods such as genetic algorithm and simulated annealing, harmony search algorithm has better results. The root mean square error (RMSE) with and without leave-one out cross validation (LOOCV) were obtained 0.417 and 0.302, respectively. The results were compared with those obtained from the genetic algorithm and simulated annealing methods and it showed that the HS is a helpful tool for feature selection with fine performance. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Finding a Hadamard matrix by simulated annealing of spin vectors

NASA Astrophysics Data System (ADS)

Bayu Suksmono, Andriyan

2017-05-01

Reformulation of a combinatorial problem into optimization of a statistical-mechanics system enables finding a better solution using heuristics derived from a physical process, such as by the simulated annealing (SA). In this paper, we present a Hadamard matrix (H-matrix) searching method based on the SA on an Ising model. By equivalence, an H-matrix can be converted into a seminormalized Hadamard (SH) matrix, whose first column is unit vector and the rest ones are vectors with equal number of -1 and +1 called SH-vectors. We define SH spin vectors as representation of the SH vectors, which play a similar role as the spins on Ising model. The topology of the lattice is generalized into a graph, whose edges represent orthogonality relationship among the SH spin vectors. Starting from a randomly generated quasi H-matrix Q, which is a matrix similar to the SH-matrix without imposing orthogonality, we perform the SA. The transitions of Q are conducted by random exchange of {+, -} spin-pair within the SH-spin vectors that follow the Metropolis update rule. Upon transition toward zeroth energy, the Q-matrix is evolved following a Markov chain toward an orthogonal matrix, at which the H-matrix is said to be found. We demonstrate the capability of the proposed method to find some low-order H-matrices, including the ones that cannot trivially be constructed by the Sylvester method.

Electronic and optical device applications of hollow cathode plasma assisted atomic layer deposition based GaN thin films

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

Bolat, Sami, E-mail: bolat@ee.bilkent.edu.tr; Tekcan, Burak; Ozgit-Akgun, Cagla

2015-01-15

Electronic and optoelectronic devices, namely, thin film transistors (TFTs) and metal–semiconductor–metal (MSM) photodetectors, based on GaN films grown by hollow cathode plasma-assisted atomic layer deposition (PA-ALD) are demonstrated. Resistivity of GaN thin films and metal-GaN contact resistance are investigated as a function of annealing temperature. Effect of the plasma gas and postmetallization annealing on the performances of the TFTs as well as the effect of the annealing on the performance of MSM photodetectors are studied. Dark current to voltage and responsivity behavior of MSM devices are investigated as well. TFTs with the N{sub 2}/H{sub 2} PA-ALD based GaN channels aremore » observed to have improved stability and transfer characteristics with respect to NH{sub 3} PA-ALD based transistors. Dark current of the MSM photodetectors is suppressed strongly after high-temperature annealing in N{sub 2}:H{sub 2} ambient.« less

Development of Simulation Methods in the Gibbs Ensemble to Predict Polymer-Solvent Phase Equilibria

NASA Astrophysics Data System (ADS)

Gartner, Thomas; Epps, Thomas; Jayaraman, Arthi

Solvent vapor annealing (SVA) of polymer thin films is a promising method for post-deposition polymer film morphology control. The large number of important parameters relevant to SVA (polymer, solvent, and substrate chemistries, incoming film condition, annealing and solvent evaporation conditions) makes systematic experimental study of SVA a time-consuming endeavor, motivating the application of simulation and theory to the SVA system to provide both mechanistic insight and scans of this wide parameter space. However, to rigorously treat the phase equilibrium between polymer film and solvent vapor while still probing the dynamics of SVA, new simulation methods must be developed. In this presentation, we compare two methods to study polymer-solvent phase equilibrium-Gibbs Ensemble Molecular Dynamics (GEMD) and Hybrid Monte Carlo/Molecular Dynamics (Hybrid MC/MD). Liquid-vapor equilibrium results are presented for the Lennard Jones fluid and for coarse-grained polymer-solvent systems relevant to SVA. We found that the Hybrid MC/MD method is more stable and consistent than GEMD, but GEMD has significant advantages in computational efficiency. We propose that Hybrid MC/MD simulations be used for unfamiliar systems in certain choice conditions, followed by much faster GEMD simulations to map out the remainder of the phase window.

Gibbs Ensemble Simulations of the Solvent Swelling of Polymer Films

NASA Astrophysics Data System (ADS)

Gartner, Thomas; Epps, Thomas, III; Jayaraman, Arthi

Solvent vapor annealing (SVA) is a useful technique to tune the morphology of block polymer, polymer blend, and polymer nanocomposite films. Despite SVA's utility, standardized SVA protocols have not been established, partly due to a lack of fundamental knowledge regarding the interplay between the polymer(s), solvent, substrate, and free-surface during solvent annealing and evaporation. An understanding of how to tune polymer film properties in a controllable manner through SVA processes is needed. Herein, the thermodynamic implications of the presence of solvent in the swollen polymer film is explored through two alternative Gibbs ensemble simulation methods that we have developed and extended: Gibbs ensemble molecular dynamics (GEMD) and hybrid Monte Carlo (MC)/molecular dynamics (MD). In this poster, we will describe these simulation methods and demonstrate their application to polystyrene films swollen by toluene and n-hexane. Polymer film swelling experiments, Gibbs ensemble molecular simulations, and polymer reference interaction site model (PRISM) theory are combined to calculate an effective Flory-Huggins χ (χeff) for polymer-solvent mixtures. The effects of solvent chemistry, solvent content, polymer molecular weight, and polymer architecture on χeff are examined, providing a platform to control and understand the thermodynamics of polymer film swelling.

The precision segmented reflectors: Moderate mission figure control subsystem

NASA Technical Reports Server (NTRS)

Sevaston, G.; Redding, D.; Lau, K.; Breckenridge, W.; Levine, B.; Nerheim, N.; Sirlin, S.; Kadogawa, H.

1991-01-01

A system concept for a space based segmented reflector telescope figure control subsystem is described. The concept employs a two phase architecture in which figure initialization and figure maintenance are independent functions. Figure initialization is accomplished by image sharpening using natural reference targets. Figure maintenance is performed by monitoring the relative positions and alignments of the telescope components using an optical truss. Actuation is achieved using precision positioners. Computer simulation results of figure initialization by pairwise segment coalignment/cophasing and simulated annealing are presented along with figure maintenance results using a wavefront error regulation algorithm. Both functions are shown to perform at acceptable levels for the class of submillimeter telescopes that are serving as the focus of this technology development effort. Component breadboard work as well as plans for a system testbed are discussed.

Compensating for estimation smoothing in kriging

USGS Publications Warehouse

Olea, R.A.; Pawlowsky, Vera

1996-01-01

Smoothing is a characteristic inherent to all minimum mean-square-error spatial estimators such as kriging. Cross-validation can be used to detect and model such smoothing. Inversion of the model produces a new estimator-compensated kriging. A numerical comparison based on an exhaustive permeability sampling of a 4-fr2 slab of Berea Sandstone shows that the estimation surface generated by compensated kriging has properties intermediate between those generated by ordinary kriging and stochastic realizations resulting from simulated annealing and sequential Gaussian simulation. The frequency distribution is well reproduced by the compensated kriging surface, which also approximates the experimental semivariogram well - better than ordinary kriging, but not as well as stochastic realizations. Compensated kriging produces surfaces that are more accurate than stochastic realizations, but not as accurate as ordinary kriging. ?? 1996 International Association for Mathematical Geology.

Evaluation of Automated Model Calibration Techniques for Residential Building Energy Simulation

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

Robertson, J.; Polly, B.; Collis, J.

2013-09-01

This simulation study adapts and applies the general framework described in BESTEST-EX (Judkoff et al 2010) for self-testing residential building energy model calibration methods. BEopt/DOE-2.2 is used to evaluate four mathematical calibration methods in the context of monthly, daily, and hourly synthetic utility data for a 1960's-era existing home in a cooling-dominated climate. The home's model inputs are assigned probability distributions representing uncertainty ranges, random selections are made from the uncertainty ranges to define 'explicit' input values, and synthetic utility billing data are generated using the explicit input values. The four calibration methods evaluated in this study are: an ASHRAEmore » 1051-RP-based approach (Reddy and Maor 2006), a simplified simulated annealing optimization approach, a regression metamodeling optimization approach, and a simple output ratio calibration approach. The calibration methods are evaluated for monthly, daily, and hourly cases; various retrofit measures are applied to the calibrated models and the methods are evaluated based on the accuracy of predicted savings, computational cost, repeatability, automation, and ease of implementation.« less

Evaluation of Automated Model Calibration Techniques for Residential Building Energy Simulation

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

and Ben Polly, Joseph Robertson; Polly, Ben; Collis, Jon

2013-09-01

This simulation study adapts and applies the general framework described in BESTEST-EX (Judkoff et al 2010) for self-testing residential building energy model calibration methods. BEopt/DOE-2.2 is used to evaluate four mathematical calibration methods in the context of monthly, daily, and hourly synthetic utility data for a 1960's-era existing home in a cooling-dominated climate. The home's model inputs are assigned probability distributions representing uncertainty ranges, random selections are made from the uncertainty ranges to define "explicit" input values, and synthetic utility billing data are generated using the explicit input values. The four calibration methods evaluated in this study are: an ASHRAEmore » 1051-RP-based approach (Reddy and Maor 2006), a simplified simulated annealing optimization approach, a regression metamodeling optimization approach, and a simple output ratio calibration approach. The calibration methods are evaluated for monthly, daily, and hourly cases; various retrofit measures are applied to the calibrated models and the methods are evaluated based on the accuracy of predicted savings, computational cost, repeatability, automation, and ease of implementation.« less

Derivation of effective fission gas diffusivities in UO2 from lower length scale simulations and implementation of fission gas diffusion models in BISON

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

Andersson, Anders David Ragnar; Pastore, Giovanni; Liu, Xiang-Yang

2014-11-07

This report summarizes the development of new fission gas diffusion models from lower length scale simulations and assessment of these models in terms of annealing experiments and fission gas release simulations using the BISON fuel performance code. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations, continuum models for diffusion of xenon (Xe) in UO 2 were derived for both intrinsic conditions and under irradiation. The importance of the large X eU3O cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequencemore » of its high mobility and stability. These models were implemented in the MARMOT phase field code, which is used to calculate effective Xe diffusivities for various irradiation conditions. The effective diffusivities were used in BISON to calculate fission gas release for a number of test cases. The results are assessed against experimental data and future directions for research are outlined based on the conclusions.« less

Correction of defective pixels for medical and space imagers based on Ising Theory

NASA Astrophysics Data System (ADS)

Cohen, Eliahu; Shnitser, Moriel; Avraham, Tsvika; Hadar, Ofer

2014-09-01

We propose novel models for image restoration based on statistical physics. We investigate the affinity between these fields and describe a framework from which interesting denoising algorithms can be derived: Ising-like models and simulated annealing techniques. When combined with known predictors such as Median and LOCO-I, these models become even more effective. In order to further examine the proposed models we apply them to two important problems: (i) Digital Cameras in space damaged from cosmic radiation. (ii) Ultrasonic medical devices damaged from speckle noise. The results, as well as benchmark and comparisons, suggest in most of the cases a significant gain in PSNR and SSIM in comparison to other filters.

Comparison Between Different Processing Schedules for the Development of Ultrafine-Grained Dual-Phase Steel

NASA Astrophysics Data System (ADS)

Karmakar, Anish; Sivaprasad, S.; Nath, S. K.; Misra, R. D. K.; Chakrabarti, Debalay

2014-05-01

A comparative study was carried out on the development of ultrafine-grained dual-phase (DP) (ferrite-martensite) structures in a low-carbon microalloyed steel processed using two thermomechanical processing routes, (i) intercritical deformation and (ii) warm-deformation and intercritical annealing. The samples were deformed using Gleeble3500® simulator, maintaining a constant total strain ( ɛ = 1) and strain rate ( = 1/s). Evolution of microstructure and micro-texture was investigated by SEM, TEM, and EBSD. Ultrafine-grained DP structures could be formed by careful selection of deformation temperature, T def (for intercritical deformation) or annealing temperature, T anneal (for warm-deformation and annealing). Overall, the ferrite grain sizes ranged from 1.5 to 4.0 μm, and the sizes and fractions of the uniformly distributed fine-martensitic islands ranged from 1.5 to 3.0 μm and 15 to 45 pct, respectively. Dynamic strain-induced austenite-to-ferrite transformation followed by continuous (dynamic) recrystallization of the ferrite dictated the grain refinement during intercritical deformation, while, continuous (static) recrystallization by pronounced recovery dictated the grain refinement during the warm-deformation and the annealing. Regarding intercritical deformation, the samples cooled to T def indicated finer grain size compared with the samples heated to T def, which are explained in terms of the effects of strain partitioning on the ferrite and the heating during deformation. Alpha-fiber components dominated the texture in all the samples, and the fraction of high-angle boundaries (with >15 deg misorientation) increased with the increasing T def or T anneal, depending on the processing schedule. Fine carbide particles, microalloyed precipitates and austenitic islands played important roles in defining the mechanism of grain refinement that involved retarding conventional ferrite recrystallization and ferrite grain growth. With regard to the intercritical deformation, warm-deformation followed by annealing is a simpler process to control in the rolling mill; however, the need for high-power rolling mill and controlled annealing facility imposes industrial challenges.

Thermal stress modification in regenerated fiber Bragg grating via manipulation of glass transition temperature based on CO₂-laser annealing.

PubMed

Lai, Man-Hong; Lim, Kok-Sing; Gunawardena, Dinusha S; Yang, Hang-Zhou; Chong, Wu-Yi; Ahmad, Harith

2015-03-01

In this work, we have demonstrated thermal stress relaxation in regenerated fiber Bragg gratings (RFBGs) by using direct CO₂-laser annealing technique. After the isothermal annealing and slow cooling process, the Bragg wavelength of the RFBG has been red-shifted. This modification is reversible by re-annealing and rapid cooling. It is repeatable with different cooling process in the subsequent annealing treatments. This phenomenon can be attributed to the thermal stress modification in the fiber core by means of manipulation of glass transition temperature with different cooling rates. This finding in this investigation is important for accurate temperature measurement of RFBG in dynamic environment.

Hyperdoping silicon with selenium: solid vs. liquid phase epitaxy

PubMed Central

Zhou, Shengqiang; Liu, Fang; Prucnal, S.; Gao, Kun; Khalid, M.; Baehtz, C.; Posselt, M.; Skorupa, W.; Helm, M.

2015-01-01

Chalcogen-hyperdoped silicon shows potential applications in silicon-based infrared photodetectors and intermediate band solar cells. Due to the low solid solubility limits of chalcogen elements in silicon, these materials were previously realized by femtosecond or nanosecond laser annealing of implanted silicon or bare silicon in certain background gases. The high energy density deposited on the silicon surface leads to a liquid phase and the fast recrystallization velocity allows trapping of chalcogen into the silicon matrix. However, this method encounters the problem of surface segregation. In this paper, we propose a solid phase processing by flash-lamp annealing in the millisecond range, which is in between the conventional rapid thermal annealing and pulsed laser annealing. Flash lamp annealed selenium-implanted silicon shows a substitutional fraction of ~ 70% with an implanted concentration up to 2.3%. The resistivity is lower and the carrier mobility is higher than those of nanosecond pulsed laser annealed samples. Our results show that flash-lamp annealing is superior to laser annealing in preventing surface segregation and in allowing scalability. PMID:25660096

Seeking Global Minima

NASA Astrophysics Data System (ADS)

Tajuddin, Wan Ahmad

1994-02-01

Ease in finding the configuration at the global energy minimum in a symmetric neural network is important for combinatorial optimization problems. We carry out a comprehensive survey of available strategies for seeking global minima by comparing their performances in the binary representation problem. We recall our previous comparison of steepest descent with analog dynamics, genetic hill-climbing, simulated diffusion, simulated annealing, threshold accepting and simulated tunneling. To this, we add comparisons to other strategies including taboo search and one with field-ordered updating.

Estimates of point defect production in α-quartz using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Cowen, Benjamin J.; El-Genk, Mohamed S.

2017-07-01

Molecular dynamics (MD) simulations are performed to investigate the production of point defects in α-quartz by oxygen and silicon primary knock-on atoms (PKAs) of 0.25-2 keV. The Wigner-Seitz (WS) defect analysis is used to identify the produced vacancies, interstitials, and antisites, and the coordination defect analysis is used to identify the under and over-coordinated oxygen and silicon atoms. The defects at the end of the ballistic phase and the residual defects, after annealing, increase with increased PKA energy, and are statistically the same for the oxygen and silicon PKAs. The WS defect analysis results show that the numbers of the oxygen vacancies and interstitials (VO, Oi) at the end of the ballistic phase is the highest, followed closely by those of the silicon vacancies and interstitials (VSi, Sii). The number of the residual oxygen and silicon vacancies and interstitials are statistically the same. In addition, the under-coordinated OI and SiIII, which are the primary defects during the ballistic phase, have high annealing efficiencies (>89%). The over-coordinated defects of OIII and SiV, which are not nearly as abundant in the ballistic phase, have much lower annealing efficiencies (<63%) that decrease with increased PKA energy.

Mitigating IASCC of Reactor Core Internals by Post-Irradiation Annealing

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

Was, Gary

This final report summarizes research performed during the period between September 2012 and December 2016, with the objective of establishing the effectiveness of post-irradiation annealing (PIA) as an advanced mitigation strategy for irradiation-assisted stress corrosion cracking (IASCC). This was completed by using irradiated 304SS control blade material to conduct crack initiation and crack growth rate (CGR) experiments in simulated BWR environment. The mechanism by which PIA affects IASCC susceptibility will also be verified. The success of this project will provide a foundation for the use of PIA as a mitigation strategy for core internal components in commercial reactors.

Relaxation plastique d'un film mince par émission de dislocations filantes vis

NASA Astrophysics Data System (ADS)

Bonnet, Roland; Youssef, Sami; Neily, Salem; Gutakowskii, A. K.

2008-03-01

The system formed by a thin film coherent with a crystalline substrate can relax its internal energy by annealing. Threading dislocations emitted after ten minutes annealing at 350 °C of the Si 0.68Ge 0.32/Si(001) heterostructure are observed in transmission electron microscopy, and then identified by comparison to simulated images of angular dislocations placed in a semi infinite medium. They are of screw character, which explains the rapid coverage of the interface by 60° dislocations oriented <110>. To cite this article: R. Bonnet et al., C. R. Physique 9 (2008).

Activities of the Solid State Physics Research Institute

NASA Technical Reports Server (NTRS)

1985-01-01

Topics addressed include: muon spin rotation; annealing problems in gallium arsenides; Hall effect in semiconductors; computerized simulation of radiation damage; single-nucleon removal from Mg-24; and He-3 reaction at 200 and 400 MeV.

Hybrid simulated annealing and its application to optimization of hidden Markov models for visual speech recognition.

PubMed

Lee, Jong-Seok; Park, Cheol Hoon

2010-08-01

We propose a novel stochastic optimization algorithm, hybrid simulated annealing (SA), to train hidden Markov models (HMMs) for visual speech recognition. In our algorithm, SA is combined with a local optimization operator that substitutes a better solution for the current one to improve the convergence speed and the quality of solutions. We mathematically prove that the sequence of the objective values converges in probability to the global optimum in the algorithm. The algorithm is applied to train HMMs that are used as visual speech recognizers. While the popular training method of HMMs, the expectation-maximization algorithm, achieves only local optima in the parameter space, the proposed method can perform global optimization of the parameters of HMMs and thereby obtain solutions yielding improved recognition performance. The superiority of the proposed algorithm to the conventional ones is demonstrated via isolated word recognition experiments.

A Hybrid Genetic-Simulated Annealing Algorithm for the Location-Inventory-Routing Problem Considering Returns under E-Supply Chain Environment

PubMed Central

Guo, Hao; Fu, Jing

2013-01-01

Facility location, inventory control, and vehicle routes scheduling are critical and highly related problems in the design of logistics system for e-business. Meanwhile, the return ratio in Internet sales was significantly higher than in the traditional business. Many of returned merchandise have no quality defects, which can reenter sales channels just after a simple repackaging process. Focusing on the existing problem in e-commerce logistics system, we formulate a location-inventory-routing problem model with no quality defects returns. To solve this NP-hard problem, an effective hybrid genetic simulated annealing algorithm (HGSAA) is proposed. Results of numerical examples show that HGSAA outperforms GA on computing time, optimal solution, and computing stability. The proposed model is very useful to help managers make the right decisions under e-supply chain environment. PMID:24489489

Extended Information Ratio for Portfolio Optimization Using Simulated Annealing with Constrained Neighborhood

NASA Astrophysics Data System (ADS)

Orito, Yukiko; Yamamoto, Hisashi; Tsujimura, Yasuhiro; Kambayashi, Yasushi

The portfolio optimizations are to determine the proportion-weighted combination in the portfolio in order to achieve investment targets. This optimization is one of the multi-dimensional combinatorial optimizations and it is difficult for the portfolio constructed in the past period to keep its performance in the future period. In order to keep the good performances of portfolios, we propose the extended information ratio as an objective function, using the information ratio, beta, prime beta, or correlation coefficient in this paper. We apply the simulated annealing (SA) to optimize the portfolio employing the proposed ratio. For the SA, we make the neighbor by the operation that changes the structure of the weights in the portfolio. In the numerical experiments, we show that our portfolios keep the good performances when the market trend of the future period becomes different from that of the past period.

Hydrogen Annealing Of Single-Crystal Superalloys

NASA Technical Reports Server (NTRS)

Smialek, James L.; Schaeffer, John C.; Murphy, Wendy

1995-01-01

Annealing at temperature equal to or greater than 2,200 degrees F in atmosphere of hydrogen found to increase ability of single-crystal superalloys to resist oxidation when subsequently exposed to oxidizing atmospheres at temperatures almost as high. Supperalloys in question are principal constituents of hot-stage airfoils (blades) in aircraft and ground-based turbine engines; also used in other high-temperature applications like chemical-processing plants, coal-gasification plants, petrochemical refineries, and boilers. Hydrogen anneal provides resistance to oxidation without decreasing fatigue strength and without need for coating or reactive sulfur-gettering constituents. In comparison with coating, hydrogen annealing costs less. Benefits extend to stainless steels, nickel/chromium, and nickel-base alloys, subject to same scale-adhesion and oxidation-resistance considerations, except that scale is chromia instead of alumina.

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

Smedskjaer, Morten M., E-mail: mos@bio.aau.dk; Bauchy, Mathieu; Mauro, John C.

The properties of glass are determined not only by temperature, pressure, and composition, but also by their complete thermal and pressure histories. Here, we show that glasses of identical composition produced through thermal annealing and through quenching from elevated pressure can result in samples with identical density and mean interatomic distances, yet different bond angle distributions, medium-range structures, and, thus, macroscopic properties. We demonstrate that hardness is higher when the density increase is obtained through thermal annealing rather than through pressure-quenching. Molecular dynamics simulations reveal that this arises because pressure-quenching has a larger effect on medium-range order, while annealing hasmore » a larger effect on short-range structures (sharper bond angle distribution), which ultimately determine hardness according to bond constraint theory. Our work could open a new avenue towards industrially useful glasses that are identical in terms of composition and density, but with differences in thermodynamic, mechanical, and rheological properties due to unique structural characteristics.« less

Thermally activated decomposition of (Ga,Mn)As thin layer at medium temperature post growth annealing

NASA Astrophysics Data System (ADS)

Melikhov, Y.; Konstantynov, P.; Domagala, J.; Sadowski, J.; Chernyshova, M.; Wojciechowski, T.; Syryanyy, Y.; Demchenko, I. N.

2016-05-01

The redistribution of Mn atoms in Ga1-xMnxAs layer during medium-temperature annealing, 250-450 oC, by Mn K-edge X-ray absorption fine structure (XAFS) recorded at ALBA facility, was studied. For this purpose Ga1-xMnxAs thin layer with x=0.01 was grown on AlAs buffer layer deposited on GaAs(100) substrate by molecular beam epitaxy (MBE) followed by annealing. The examined layer was detached from the substrate using a “lift-off” procedure in order to eliminate elastic scattering in XAFS spectra. Fourier transform analysis of experimentally obtained EXAFS spectra allowed to propose a model which describes a redistribution/diffusion of Mn atoms in the host matrix. Theoretical XANES spectra, simulated using multiple scattering formalism (FEFF code) with the support of density functional theory (WIEN2k code), qualitatively describe the features observed in the experimental fine structure.

New Insights into Shape Memory Alloy Bimorph Actuators Formed by Electron Beam Evaporation

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

Sun, Hao; Nykypanchuk, Dmytro

In order to create shape memory alloy (SMA) bimorph microactuators with high-precision features, a novel fabrication process combined with electron beam (E-beam) evaporation, lift-off resist and isotropic XeF2 dry etching method was developed. To examine the effect of E-beam deposition and annealing process on nitinol (NiTi) characteristics, the NiTi thin film samples with different deposition rate and overflow conditions during annealing process were investigated. With the characterizations using scanning electron microscope and x-ray diffraction, the results indicated that low E-beam deposition rate and argon employed annealing process could benefit the formation of NiTi crystalline structure. In addition, SMA bimorph microactuatorsmore » with high-precision features as small as 5 microns were successfully fabricated. Furthermore, the thermomechanical performance was experimentally verified and compared with finite element analysis simulation results.« less

Effect of annealing temperature on the thermal stress and dislocation density of mc-Si ingot grown by DS process for solar cell application

NASA Astrophysics Data System (ADS)

Sanmugavel, S.; Srinivasan, M.; Aravinth, K.; Ramasamy, P.

2018-04-01

90% of the solar industries are using crystalline silicon. Cost wise the multi-crystalline silicon solar cells are better compared to mono crystalline silicon. But because of the presence of grain boundaries, dislocations and impurities, the efficiency of the multi-crystalline silicon solar cells is lower than that of mono crystalline silicon solar cells. By reducing the defect and dislocation we can achieve high conversion efficiency. The velocity of dislocation motion increases with stress. By annealing the grown ingot at proper temperature we can decrease the stress and dislocation. Our simulation results show that the value of stress and dislocation density is decreased by annealing the grown ingot at 1400K and the input parameters can be implemented in real system to grow a better mc-Si ingot for energy harvesting applications.

Impacts of Annealing Conditions on the Flat Band Voltage of Alternate La2O3/Al2O3 Multilayer Stack Structures.

PubMed

Feng, Xing-Yao; Liu, Hong-Xia; Wang, Xing; Zhao, Lu; Fei, Chen-Xi; Liu, He-Lei

2016-12-01

The mechanism of flat band voltage (VFB) shift for alternate La2O3/Al2O3 multilayer stack structures in different annealing condition is investigated. The samples were prepared for alternate multilayer structures, which were annealed in different conditions. The capacitance-voltage (C-V) measuring results indicate that the VFB of samples shift negatively for thinner bottom Al2O3 layer, increasing annealing temperature or longer annealing duration. Simultaneously, the diffusion of high-k material to interfaces in different multilayer structures and annealing conditions is observed by X-ray photoelectron spectroscopy (XPS). Based on the dipole theory, a correlation between the diffusion effect of La towards bottom Al2O3/Si interface and VFB shift is found. Without changing the dielectric constant k of films, VFB shift can be manipulated by controlling the single-layer cycles and annealing conditions of alternate high-k multilayer stack.

Annealing characteristics of irradiated hydrogenated amorphous silicon solar cells

NASA Technical Reports Server (NTRS)

Payson, J. S.; Abdulaziz, S.; Li, Y.; Woodyard, J. R.

1991-01-01

It was shown that 1 MeV proton irradiation with fluences of 1.25E14 and 1.25E15/sq cm reduces the normalized I(sub SC) of a-Si:H solar cell. Solar cells recently fabricated showed superior radiation tolerance compared with cells fabricated four years ago; the improvement is probably due to the fact that the new cells are thinner and fabricated from improved materials. Room temperature annealing was observed for the first time in both new and old cells. New cells anneal at a faster rate than old cells for the same fluence. From the annealing work it is apparent that there are at least two types of defects and/or annealing mechanisms. One cell had improved I-V characteristics following irradiation as compared to the virgin cell. The work shows that the photothermal deflection spectroscopy (PDS) and annealing measurements may be used to predict the qualitative behavior of a-Si:H solar cells. It was anticipated that the modeling work will quantitatively link thin film measurements with solar cell properties. Quantitative predictions of the operation of a-Si:H solar cells in a space environment will require a knowledge of the defect creation mechanisms, defect structures, role of defects on degradation, and defect passivation and annealing mechanisms. The engineering data and knowledge base for justifying space flight testing of a-Si:H alloy based solar cells is being developed.

Optimization of the computational load of a hypercube supercomputer onboard a mobile robot.

PubMed

Barhen, J; Toomarian, N; Protopopescu, V

1987-12-01

A combinatorial optimization methodology is developed, which enables the efficient use of hypercube multiprocessors onboard mobile intelligent robots dedicated to time-critical missions. The methodology is implemented in terms of large-scale concurrent algorithms based either on fast simulated annealing, or on nonlinear asynchronous neural networks. In particular, analytic expressions are given for the effect of singleneuron perturbations on the systems' configuration energy. Compact neuromorphic data structures are used to model effects such as prec xdence constraints, processor idling times, and task-schedule overlaps. Results for a typical robot-dynamics benchmark are presented.

Optimization of the computational load of a hypercube supercomputer onboard a mobile robot

NASA Technical Reports Server (NTRS)

Barhen, Jacob; Toomarian, N.; Protopopescu, V.

1987-01-01

A combinatorial optimization methodology is developed, which enables the efficient use of hypercube multiprocessors onboard mobile intelligent robots dedicated to time-critical missions. The methodology is implemented in terms of large-scale concurrent algorithms based either on fast simulated annealing, or on nonlinear asynchronous neural networks. In particular, analytic expressions are given for the effect of single-neuron perturbations on the systems' configuration energy. Compact neuromorphic data structures are used to model effects such as precedence constraints, processor idling times, and task-schedule overlaps. Results for a typical robot-dynamics benchmark are presented.

Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning

NASA Astrophysics Data System (ADS)

Du, Lin; Nguyen, Tam N.; Gilman, Ari; Muniz, André R.; Maroudas, Dimitrios

2017-12-01

We report a systematic analysis of pore-edge interactions in graphene nanoribbons (GNRs) and their outcomes based on first-principles calculations and classical molecular-dynamics simulations. We find a strong attractive interaction between nanopores and GNR edges that drives the pores to migrate toward and coalesce with the GNR edges, which can be exploited to form GNR edge patterns that impact the GNR electronic band structure and tune the GNR band gap. Our analysis introduces a viable physical processing strategy for modifying GNR properties by combining defect engineering and thermal annealing.

A FLUORESCENCE BASED ASSAY FOR DNA DAMAGE INDUCED BY STYRENE OXIDE

EPA Science Inventory

A rapid and simple assay to detect DNA damage to calf thymus DNA caused by styrene oxide (SO) is reported. This assay is based on changes observed in the melting and annealing behavior of the damaged DNA. The melting annealing process was monitored using a fluorescence indicat...

Low temperature annealed amorphous indium gallium zinc oxide (a-IGZO) as a pH sensitive layer for applications in field effect based sensors

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

Kumar, Narendra; Samtel Centre for Display Technologies, Indian Institute of Technology Kanpur, Kanpur-208016; Kumar, Jitendra

The use of a-IGZO instead of the conventional high-k dielectrics as a pH sensitive layer could lead to the simplification of fabrication steps of field effect based devices. In this work, the pH sensitivities of a-IGZO films directly deposited over a SiO{sub 2}/Si surface were studied utilizing electrolyte-insulator-semiconductor (EIS) structures. Annealing of the films was found to affect the sensitivity of the devices and the device with the film annealed at 400 {sup o}C in N{sub 2} ambience showed the better sensitivity, which reduced with further increase in the annealing temperature to 500 {sup o}C. The increased pH sensitivity withmore » the film annealed at 400 {sup o}C in N{sub 2} gas was attributed to the enhanced lattice oxygen ions (based on the XPS data) and improved C-V characteristics, while the decrease in sensitivity at an increased annealing temperature of 500 {sup o}C was attributed to defects in the films as well as the induced traps at the IGZO/SiO{sub 2} interface based on the stretched accumulation and the peak in the inversion region of C-V curves. This study could help to develop a sensor where the material (a-IGZO here) used as the active layer in a thin film transistors (TFTs) possibly could also be used as the pH sensitive layer without affecting the TFT characteristics, and thus obviating the need of high-K dielectrics for sensitivity enhancement.« less

Effects of different annealing atmospheres on the properties of cadmium sulfide thin films

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

Yücel, E., E-mail: dr.ersinyucel@gmail.com; Kahraman, S.; Güder, H.S.

2015-08-15

Graphical abstract: The effects of different annealing atmospheres (air and sulfur) on the structural, morphological and optical properties of CdS thin films were studied at three different pH values. - Highlights: • Compactness and smoothness of the films were enhanced after sulfur annealing. • Micro-strain values of some films were improved after sulfur annealing. • Dislocation density values of some films were improved after sulfur annealing. • Band gap values of the films were improved after sulfur annealing. - Abstract: Cadmium sulfide (CdS) thin films were prepared on glass substrates by using chemical bath deposition (CBD) technique. The effects ofmore » different annealing atmospheres (air and sulfur) on the structural, morphological and optical properties of CdS thin films were studied at three different pH values. Compactness and smoothness of the films (especially for pH 10.5 and 11) enhanced after sulfur annealing. pH value of the precursor solution remarkably affected the roughness, uniformity and particle sizes of the films. Based on the analysis of X-ray diffraction (XRD) patterns of the films, micro-strain and dislocation density values of the sulfur-annealed films (pH 10.5 and 11) were found to be lower than those of air-annealed films. Air-annealed films (pH 10.5, 11 and 11.5) exhibited higher transmittance than sulfur-annealed films in the wavelength region of 550–800 nm. Optical band gap values of the films were found between 2.31 eV and 2.36 eV.« less

Direct and pulsed current annealing of p-MOSFET based dosimeter: the "MOSkin".

PubMed

Alshaikh, Sami; Carolan, Martin; Petasecca, Marco; Lerch, Michael; Metcalfe, Peter; Rosenfeld, Anatoly

2014-06-01

Contemporary radiation therapy (RT) is complicated and requires sophisticated real-time quality assurance (QA). While 3D real-time dosimetry is most preferable in RT, it is currently not fully realised. A small, easy to use and inexpensive point dosimeter with real-time and in vivo capabilities is an option for routine QA. Such a dosimeter is essential for skin, in vivo or interface dosimetry in phantoms for treatment plan verification. The metal-oxide-semiconductor-field-effect-transistor (MOSFET) detector is one of the best choices for these purposes, however, the MOSFETs sensitivity and its signal stability degrade after essential irradiation which limits its lifespan. The accumulation of positive charge on the gate oxide and the creation of interface traps near the silicon-silicon dioxide layer is the primary physical phenomena responsible for this degradation. The aim of this study is to investigate MOSFET dosimeter recovery using two proposed annealing techniques: direct current (DC) and pulsed current (PC), both based on hot charged carrier injection into the gate oxide of the p-MOSFET dosimeter. The investigated MOSFETs were reused multiple times using an irradiation-annealing cycle. The effect of the current-annealing parameters was investigated for the dosimetric characteristics of the recovered MOSFET dosimeters such as linearity, sensitivity and initial threshold voltage. Both annealing techniques demonstrated excellent results in terms of maintaining a stable response, linearity and sensitivity of the MOSFET dosimeter. However, PC annealing is more preferable than DC annealing as it offers better dose response linearity of the reused MOSFET and has a very short annealing time.

Comparison of particle swarm optimization and simulated annealing for locating additional boreholes considering combined variance minimization

NASA Astrophysics Data System (ADS)

Soltani-Mohammadi, Saeed; Safa, Mohammad; Mokhtari, Hadi

2016-10-01

One of the most important stages in complementary exploration is optimal designing the additional drilling pattern or defining the optimum number and location of additional boreholes. Quite a lot research has been carried out in this regard in which for most of the proposed algorithms, kriging variance minimization as a criterion for uncertainty assessment is defined as objective function and the problem could be solved through optimization methods. Although kriging variance implementation is known to have many advantages in objective function definition, it is not sensitive to local variability. As a result, the only factors evaluated for locating the additional boreholes are initial data configuration and variogram model parameters and the effects of local variability are omitted. In this paper, with the goal of considering the local variability in boundaries uncertainty assessment, the application of combined variance is investigated to define the objective function. Thus in order to verify the applicability of the proposed objective function, it is used to locate the additional boreholes in Esfordi phosphate mine through the implementation of metaheuristic optimization methods such as simulated annealing and particle swarm optimization. Comparison of results from the proposed objective function and conventional methods indicates that the new changes imposed on the objective function has caused the algorithm output to be sensitive to the variations of grade, domain's boundaries and the thickness of mineralization domain. The comparison between the results of different optimization algorithms proved that for the presented case the application of particle swarm optimization is more appropriate than simulated annealing.

Optimization of parameter values for complex pulse sequences by simulated annealing: application to 3D MP-RAGE imaging of the brain.

PubMed

Epstein, F H; Mugler, J P; Brookeman, J R

1994-02-01

A number of pulse sequence techniques, including magnetization-prepared gradient echo (MP-GRE), segmented GRE, and hybrid RARE, employ a relatively large number of variable pulse sequence parameters and acquire the image data during a transient signal evolution. These sequences have recently been proposed and/or used for clinical applications in the brain, spine, liver, and coronary arteries. Thus, the need for a method of deriving optimal pulse sequence parameter values for this class of sequences now exists. Due to the complexity of these sequences, conventional optimization approaches, such as applying differential calculus to signal difference equations, are inadequate. We have developed a general framework for adapting the simulated annealing algorithm to pulse sequence parameter value optimization, and applied this framework to the specific case of optimizing the white matter-gray matter signal difference for a T1-weighted variable flip angle 3D MP-RAGE sequence. Using our algorithm, the values of 35 sequence parameters, including the magnetization-preparation RF pulse flip angle and delay time, 32 flip angles in the variable flip angle gradient-echo acquisition sequence, and the magnetization recovery time, were derived. Optimized 3D MP-RAGE achieved up to a 130% increase in white matter-gray matter signal difference compared with optimized 3D RF-spoiled FLASH with the same total acquisition time. The simulated annealing approach was effective at deriving optimal parameter values for a specific 3D MP-RAGE imaging objective, and may be useful for other imaging objectives and sequences in this general class.

Theoretical optimization of multi-layer InAs/GaAs quantum dots subject to post-growth thermal annealing for tailoring the photoluminescence emission beyond 1.3 μm

NASA Astrophysics Data System (ADS)

Ghosh, K.; Naresh, Y.; Srichakradhar Reddy, N.

2012-07-01

In this paper, we present theoretical analysis and computation for tuning the ground state (GS) photoluminescence (PL) emission of InAs/GaAs quantum dots (QDs) at telecommunication window of 1.3-1.55 μm by optimizing its height and base dimensions through quantum mechanical concepts. For this purpose, numerical modelling is carried out to calculate the quantized energy states of finite dimensional QDs so as to obtain the GS PL emission at or beyond 1.3 μm. Here, we also explored strain field altering the QD size distribution in multilayer heterostructure along with the changes in the PL spectra, simulation on post growth thermal annealing process which blueshifts the operating wavelength away from the vicinity of 1.3 μm and improvement of optical properties by varying the thickness of GaAs spacing. The results are discussed in detail which will serve as an important information tool for device scientist fabricating high quality semiconductor quantum structures with reduced defects at telecommunication wavelengths.

Effective optimization using sample persistence: A case study on quantum annealers and various Monte Carlo optimization methods

NASA Astrophysics Data System (ADS)

Karimi, Hamed; Rosenberg, Gili; Katzgraber, Helmut G.

2017-10-01

We present and apply a general-purpose, multistart algorithm for improving the performance of low-energy samplers used for solving optimization problems. The algorithm iteratively fixes the value of a large portion of the variables to values that have a high probability of being optimal. The resulting problems are smaller and less connected, and samplers tend to give better low-energy samples for these problems. The algorithm is trivially parallelizable since each start in the multistart algorithm is independent, and could be applied to any heuristic solver that can be run multiple times to give a sample. We present results for several classes of hard problems solved using simulated annealing, path-integral quantum Monte Carlo, parallel tempering with isoenergetic cluster moves, and a quantum annealer, and show that the success metrics and the scaling are improved substantially. When combined with this algorithm, the quantum annealer's scaling was substantially improved for native Chimera graph problems. In addition, with this algorithm the scaling of the time to solution of the quantum annealer is comparable to the Hamze-de Freitas-Selby algorithm on the weak-strong cluster problems introduced by Boixo et al. Parallel tempering with isoenergetic cluster moves was able to consistently solve three-dimensional spin glass problems with 8000 variables when combined with our method, whereas without our method it could not solve any.

Effects of oxygen partial pressure, deposition temperature, and annealing on the optical response of CdS:O thin films as studied by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Junda, Maxwell M.; Grice, Corey R.; Subedi, Indra; Yan, Yanfa; Podraza, Nikolas J.

2016-07-01

Ex-situ spectroscopic ellipsometry measurements are made on radio frequency magnetron sputtered oxygenated cadmium sulfide (CdS:O) thin films. Films are deposited onto glass substrates at room temperature and at 270 °C with varying oxygen to total gas flow ratios in the sputtering ambient. Ellipsometric spectra from 0.74 to 5.89 eV are collected before and after annealing at 607 °C to simulate the thermal processes during close-space sublimation of overlying cadmium telluride in that solar cell configuration. Complex dielectric function (ɛ = ɛ1 + iɛ2) spectra are extracted for films as a function of oxygen gas flow ratio, deposition temperature, and post-deposition annealing using a parametric model accounting for critical point transitions and an Urbach tail for sub-band gap absorption. The results suggest an inverse relationship between degree of crystallinity and oxygen gas flow ratio, whereas annealing is shown to increase crystallinity in all samples. Direct band gap energies are determined from the parametric modeling of ɛ and linear extrapolations of the square of the absorption coefficient. As-deposited samples feature a range of band gap energies whereas annealing is shown to result in gap energies ranging only from 2.40 to 2.45 eV, which is close to typical band gaps for pure cadmium sulfide.

GPU accelerated population annealing algorithm

NASA Astrophysics Data System (ADS)

Barash, Lev Yu.; Weigel, Martin; Borovský, Michal; Janke, Wolfhard; Shchur, Lev N.

2017-11-01

Population annealing is a promising recent approach for Monte Carlo simulations in statistical physics, in particular for the simulation of systems with complex free-energy landscapes. It is a hybrid method, combining importance sampling through Markov chains with elements of sequential Monte Carlo in the form of population control. While it appears to provide algorithmic capabilities for the simulation of such systems that are roughly comparable to those of more established approaches such as parallel tempering, it is intrinsically much more suitable for massively parallel computing. Here, we tap into this structural advantage and present a highly optimized implementation of the population annealing algorithm on GPUs that promises speed-ups of several orders of magnitude as compared to a serial implementation on CPUs. While the sample code is for simulations of the 2D ferromagnetic Ising model, it should be easily adapted for simulations of other spin models, including disordered systems. Our code includes implementations of some advanced algorithmic features that have only recently been suggested, namely the automatic adaptation of temperature steps and a multi-histogram analysis of the data at different temperatures. Program Files doi:http://dx.doi.org/10.17632/sgzt4b7b3m.1 Licensing provisions: Creative Commons Attribution license (CC BY 4.0) Programming language: C, CUDA External routines/libraries: NVIDIA CUDA Toolkit 6.5 or newer Nature of problem: The program calculates the internal energy, specific heat, several magnetization moments, entropy and free energy of the 2D Ising model on square lattices of edge length L with periodic boundary conditions as a function of inverse temperature β. Solution method: The code uses population annealing, a hybrid method combining Markov chain updates with population control. The code is implemented for NVIDIA GPUs using the CUDA language and employs advanced techniques such as multi-spin coding, adaptive temperature steps and multi-histogram reweighting. Additional comments: Code repository at https://github.com/LevBarash/PAising. The system size and size of the population of replicas are limited depending on the memory of the GPU device used. For the default parameter values used in the sample programs, L = 64, θ = 100, β0 = 0, βf = 1, Δβ = 0 . 005, R = 20 000, a typical run time on an NVIDIA Tesla K80 GPU is 151 seconds for the single spin coded (SSC) and 17 seconds for the multi-spin coded (MSC) program (see Section 2 for a description of these parameters).

Exploration of DGVM Parameter Solution Space Using Simulated Annealing: Implications for Forecast Uncertainties

NASA Astrophysics Data System (ADS)

Wells, J. R.; Kim, J. B.

2011-12-01

Parameters in dynamic global vegetation models (DGVMs) are thought to be weakly constrained and can be a significant source of errors and uncertainties. DGVMs use between 5 and 26 plant functional types (PFTs) to represent the average plant life form in each simulated plot, and each PFT typically has a dozen or more parameters that define the way it uses resource and responds to the simulated growing environment. Sensitivity analysis explores how varying parameters affects the output, but does not do a full exploration of the parameter solution space. The solution space for DGVM parameter values are thought to be complex and non-linear; and multiple sets of acceptable parameters may exist. In published studies, PFT parameters are estimated from published literature, and often a parameter value is estimated from a single published value. Further, the parameters are "tuned" using somewhat arbitrary, "trial-and-error" methods. BIOMAP is a new DGVM created by fusing MAPSS biogeography model with Biome-BGC. It represents the vegetation of North America using 26 PFTs. We are using simulated annealing, a global search method, to systematically and objectively explore the solution space for the BIOMAP PFTs and system parameters important for plant water use. We defined the boundaries of the solution space by obtaining maximum and minimum values from published literature, and where those were not available, using +/-20% of current values. We used stratified random sampling to select a set of grid cells representing the vegetation of the conterminous USA. Simulated annealing algorithm is applied to the parameters for spin-up and a transient run during the historical period 1961-1990. A set of parameter values is considered acceptable if the associated simulation run produces a modern potential vegetation distribution map that is as accurate as one produced by trial-and-error calibration. We expect to confirm that the solution space is non-linear and complex, and that multiple acceptable parameter sets exist. Further we expect to demonstrate that the multiple parameter sets produce significantly divergent future forecasts in NEP, C storage, and ET and runoff; and thereby identify a highly important source of DGVM uncertainty

Rietveld analysis of the effect of annealing atmosphere on phase evolution of nanocrystalline TiO2 powders.

PubMed

Salari, M; Rezaee, M; Chidembo, A T; Konstantinov, K; Liu, H K

2012-06-01

The structural evolution of nanocrystalline TiO2 was studied by X-ray diffraction (XRD) and the Rietveld refinement method (RRM). TiO2 powders were prepared by the sol-gel technique. Post annealing of as-synthesized powders in the temperature range from 500 degrees C to 800 degrees C under air and argon atmospheres led to the formation of TiO2 nanoparticles with mean crystallite size in the range of 37-165 nm, based on the Rietveld refinement results. It was found that the phase structure, composition, and crystallite size of the resulting particles were dependent on not only the annealing temperature, but also the annealing atmosphere. Rietveld refinement of the XRD data showed that annealing the powders under argon atmosphere promoted the polymorphic phase transformation from anatase to rutile. Field emission scanning electron microscopy (FESEM) was employed to investigate the morphology and size of the annealed powders.

Athermal Annealing of Silicon

NASA Astrophysics Data System (ADS)

Fischer, R. P.; Grun, J.; Ting, A.; Felix, C.; Peckerar, M.; Fatemi, M.; Manka, C. K.

1999-11-01

Current semiconductor annealing methods are based on thermal processes which are accompanied by diffusion that degrades the definition of device features or causes other problems. This will be a serious obstacle for the production of next-generation ultra-high density, low power semiconductor devices. Experiments underway at NRL utilize a new annealing method which is much faster than thermal annealing and does not depend upon thermal energy (J. Grun, et al)., Phys. Rev. Letters 78, 1584 (1997).. A 10 J, 30 nsec, 1.053 nm wavelength laser pulse is focussed to approximately 1 mm diameter on a silicon sample. Acoustic and shock waves propagate from the impact region, which deposit mechanical energy into the material and anneal the silicon. Experimental results will be presented on annealing neutron-transmutation-doped (NTD) and ion implanted silicon samples with impurity concentrations from 1 × 10^15-3 × 10^20/cm^3.

Post deposition annealing effect on the properties of Al2O3/InP interface

NASA Astrophysics Data System (ADS)

Kim, Hogyoung; Kim, Dong Ha; Choi, Byung Joon

2018-02-01

Post deposition in-situ annealing effect on the interfacial and electrical properties of Au/Al2O3/n-InP junctions were investigated. With increasing the annealing time, both the barrier height and ideality factor changed slightly but the series resistance decreased significantly. Photoluminescence (PL) measurements showed that the intensities of both the near band edge (NBE) emission from InP and defect-related bands (DBs) from Al2O3 decreased with 30 min annealing. With increasing the annealing time, the diffusion of oxygen (indium) atoms into Al2O3/InP interface (into Al2O3 layer) occurred more significantly, giving rise to the increase of the interface state density. Therefore, the out-diffusion of oxygen atoms from Al2O3 during the annealing process should be controlled carefully to optimize the Al2O3/InP based devices.

Estimation of residual stresses in railroad commuter car wheels following manufacture

DOT National Transportation Integrated Search

2003-06-01

A finite element simulation is presented for the prediction of : residual stresses resulting from the heat treatment of railroad : commuter car wheels during manufacture. The quenching and : annealing segments of the wheel manufacturing process are s...

Estimation of residual stresses in railroad commuter car wheels following manufacture

DOT National Transportation Integrated Search

1998-11-01

A finite element simulation is presented for the prediction of residual stresses resulting from the heat treatment of railroad commuter car wheels during manufacture. The quenching and annealing segments of the wheel manufacturing process are simulat...

Constructing Cross-Linked Polymer Networks Using Monte Carlo Simulated Annealing Technique for Atomistic Molecular Simulations

DTIC Science & Technology

2014-10-01

the angles and dihedrals that are truly unique will be indicated by the user by editing NewAngleTypesDump and NewDihedralTypesDump. The program ...Atomistic Molecular Simulations 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Robert M Elder, Timothy W Sirk, and...Antechamber program in Assisted Model Building with Energy Refinement (AMBER) Tools to assign partial charges (using the Austin Model 1 [AM1]-bond charge

Elimination of carbon vacancies in 4H-SiC epi-layers by near-surface ion implantation: Influence of the ion species

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

Ayedh, H. M.; Svensson, B. G.; Hallén, A.

The carbon vacancy (V{sub C}) is a prevailing point defect in high-purity 4H-SiC epitaxial layers, and it plays a decisive role in controlling the charge carrier lifetime. One concept of reducing the V{sub C}-concentration is based on carbon self-ion implantation in a near surface layer followed by thermal annealing. This leads to injection of carbon interstitials (C{sub i}'s) and annihilation of V{sub C}'s in the epi-layer “bulk”. Here, we show that the excess of C atoms introduced by the self-ion implantation plays a negligible role in the V{sub C} annihilation. Actually, employing normalized implantation conditions with respect to displaced Cmore » atoms, other heavier ions like Al and Si are found to be more efficient in annihilating V{sub C}'s. Concentrations of V{sub C} below ∼2 × 10{sup 11} cm{sup −3} can be reached already after annealing at 1400 °C, as monitored by deep-level transient spectroscopy. This corresponds to a reduction in the V{sub C}-concentration by about a factor of 40 relative to the as-grown state of the epi-layers studied. The negligible role of the implanted species itself can be understood from simulation results showing that the concentration of displaced C atoms exceeds the concentration of implanted species by two to three orders of magnitude. The higher efficiency for Al and Si ions is attributed to the generation of collision cascades with a sufficiently high energy density to promote C{sub i}-clustering and reduce dynamic defect annealing. These C{sub i}-related clusters will subsequently dissolve during the post-implant annealing giving rise to enhanced C{sub i} injection. However, at annealing temperatures above 1500 °C, thermodynamic equilibrium conditions start to apply for the V{sub C}-concentration, which limit the net effect of the C{sub i} injection, and a competition between the two processes occurs.« less

Microbridge testing of plasma-enhanced chemical-vapor deposited silicon oxide films on silicon wafers

NASA Astrophysics Data System (ADS)

Cao, Zhiqiang; Zhang, Tong-Yi; Zhang, Xin

2005-05-01

Plasma-enhanced chemical-vapor deposited (PECVD) silane-based oxides (SiOx) have been widely used in both microelectronics and microelectromechanical systems (MEMS) to form electrical and/or mechanical components. In this paper, a nanoindentation-based microbridge testing method is developed to measure both the residual stresses and Young's modulus of PECVD SiOx films on silicon wafers. Theoretically, we considered both the substrate deformation and residual stress in the thin film and derived a closed formula of deflection versus load. The formula fitted the experimental curves almost perfectly, from which the residual stresses and Young's modulus of the film were determined. Experimentally, freestanding microbridges made of PECVD SiOx films were fabricated using the silicon undercut bulk micromachining technique. Some microbridges were subjected to rapid thermal annealing (RTA) at a temperature of 400 °C, 600 °C, or 800 °C to simulate the thermal process in the device fabrication. The results showed that the as-deposited PECVD SiOx films had a residual stress of -155±17MPa and a Young's modulus of 74.8±3.3GPa. After the RTA, Young's modulus remained relatively unchanged at around 75 GPa, however, significant residual stress hysteresis was found in all the films. A microstructure-based mechanism was then applied to explain the experimental results of the residual stress changes in the PECVD SiOx films after the thermal annealing.

Bragg reflector based gate stack architecture for process integration of excimer laser annealing

NASA Astrophysics Data System (ADS)

Fortunato, G.; Mariucci, L.; Cuscunà, M.; Privitera, V.; La Magna, A.; Spinella, C.; Magrı, A.; Camalleri, M.; Salinas, D.; Simon, F.; Svensson, B.; Monakhov, E.

2006-12-01

An advanced gate stack structure, which incorporates a Bragg reflector, has been developed for the integration of excimer laser annealing into the power metal-oxide semiconductor (MOS) transistor fabrication process. This advanced gate structure effectively protects the gate stack from melting, thus solving the problem related to protrusion formation. By using this gate stack configuration, power MOS transistors were fabricated with improved electrical characteristics. The Bragg reflector based gate stack architecture can be applied to other device structures, such as scaled MOS transistors, thus extending the possibilities of process integration of excimer laser annealing.

Enhancement of bending strain tolerance and current carrying property of MgB2 based multifilamentary wires

NASA Astrophysics Data System (ADS)

Thomas, Syju; Varghese, Neson; Rahul, S.; Devadas, K. M.; Vinod, K.; Syamaprasad, U.

2012-12-01

The effect of bending strain on current carrying capacity of MgB2 multifilamentary wires was studied with 4, 8 and 16 multifilamentary wires. The critical current density (JC) of straight wires and bent wires with 5, 10, and 15 cm diameter was measured. Both annealed & bent and bent & annealed wires were used for measurement. The JC of annealed & bent wires were found to decrease with decrease in bent diameter and the rate of degradation of JC decreased with increasing number of filaments, while bent & annealed wires almost retained its JC at all diameters studied.

Influence of annealing temperature on optical properties of the photonic-crystal structures obtained by self-organization of colloidal microspheres of polystyrene and silica

NASA Astrophysics Data System (ADS)

Mikhnev, L. V.; Bondarenko, E. A.; Chapura, O. M.; Skomorokhov, A. A.; Kravtsov, A. A.

2018-01-01

The influence of annealing temperature on the transmission spectra of photonic crystals composed of polystyrene and silicon dioxide microspheres was studied. It was found that annealing of photonic crystals based on polystyrene and silica leads to a shift in the photonic band gap to the short-wavelength region. Based on the results of optical studies, the dependences of the structural parameters of the obtained opal-like crystals on annealing temperature were obtained. In the case of polystyrene photonic crystals, the displacement of the photonic band gap is observed in a narrow temperature range above the glass transition temperature. For SiO2 photonic crystals, it was found that the process of microspheres sintering is complex and involves three stages of structural modification.

CdO thin films based on the annealing temperature differences prepared by sol-gel method and their heterojunction devices

NASA Astrophysics Data System (ADS)

Soylu, M.; Yazici, T.

2017-12-01

Undoped CdO films were prepared on glass substrate and p-type silicon wafer using sol-gel spin coating method. The structural and optical properties of the films were investigated as a function of the annealing temperature. X-ray diffraction (XRD) patterns reveal that the films are formed from CdO with cubic crystal structure and (1 1 1) preferred orientation. It is seen that good crystallinity is due to the high annealing temperature. The surface morphology of the CdO films was found to be depending on the annealing temperature, showing cauliflower like structure. Optical band gaps for annealing temperature of 250 °C and 450 °C were found to be 2.49 eV and 2.27 eV, respectively, showing a decrease with raising temperature. Optics parameters such as extinction coefficient, refractive index, and surface-volume energy loss were determined with spectrophotometric analysis as a function of annealing temperature. CdO/p-Si heterojunction structure showed weak rectifying behavior. The diode parameters were found to be depending on annealing temperature. The results are encouraging to get better conjunction with CdO thin film component at optimize annealing temperature.

Conformational Space Annealing explained: A general optimization algorithm, with diverse applications

NASA Astrophysics Data System (ADS)

Joung, InSuk; Kim, Jong Yun; Gross, Steven P.; Joo, Keehyoung; Lee, Jooyoung

2018-02-01

Many problems in science and engineering can be formulated as optimization problems. One way to solve these problems is to develop tailored problem-specific approaches. As such development is challenging, an alternative is to develop good generally-applicable algorithms. Such algorithms are easy to apply, typically function robustly, and reduce development time. Here we provide a description for one such algorithm called Conformational Space Annealing (CSA) along with its python version, PyCSA. We previously applied it to many optimization problems including protein structure prediction and graph community detection. To demonstrate its utility, we have applied PyCSA to two continuous test functions, namely Ackley and Eggholder functions. In addition, in order to provide complete generality of PyCSA to any types of an objective function, we demonstrate the way PyCSA can be applied to a discrete objective function, namely a parameter optimization problem. Based on the benchmarking results of the three problems, the performance of CSA is shown to be better than or similar to the most popular optimization method, simulated annealing. For continuous objective functions, we found that, L-BFGS-B was the best performing local optimization method, while for a discrete objective function Nelder-Mead was the best. The current version of PyCSA can be run in parallel at the coarse grained level by calculating multiple independent local optimizations separately. The source code of PyCSA is available from http://lee.kias.re.kr.

Finding Maximum Cliques on the D-Wave Quantum Annealer

DOE PAGES

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg; ...

2018-05-03

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

Electron microscopy observations of radiation damage in irradiated and annealed tungsten

NASA Astrophysics Data System (ADS)

Grzonka, J.; Ciupiński, Ł.; Smalc-Koziorowska, J.; Ogorodnikova, O. V.; Mayer, M.; Kurzydłowski, K. J.

2014-12-01

In the present work tungsten samples were irradiated with W6+ ions with a kinetic energy of 20 MeV in order to simulate radiation damage by fast neutrons. Two samples with cumulative damage of 2.3 and 6.36 displacements per atom were produced. The scanning transmission electron microscopy investigations were carried out in order to determine structure changes resulting from the irradiation. The evolution of the damage with post implantation annealing in the temperature range 673-1100 K was also assessed. Damage profiles were studied at cross-sections. Scanning transmission electron microscopy studies of the lamellae after annealing revealed aggregation of defects and rearrangement as well as partial healing of dislocations at higher temperatures. The results confirm the higher density of radiation-induced dislocations in the near surface area of the sample (1.8 * 1014 m-2) in comparison with a deeper damage area (1.5 * 1014 m-2). Significant decrease of dislocation density was observed after annealing with a concurrent growth of dislocation loops. Transmission electron microscopy analyses show that the dislocation loops are perfect dislocations with the Burgers vectors of b = ½[ 1 1 1].

Finding Maximum Cliques on the D-Wave Quantum Annealer

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

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

Processing of fine grained AISI 304L austenitic stainless steel by cold rolling and high-temperature short-term annealing

NASA Astrophysics Data System (ADS)

Naghizadeh, Meysam; Mirzadeh, Hamed

2018-05-01

An advanced thermomechanical process based on the formation and reversion of deformation-induced martensite was used to refine the grain size and enhance the hardness of an AISI 304L austenitic stainless steel. Both low and high reversion annealing temperatures and also the repetition of the whole thermomechanical cycle were considered. While a microstructure with average austenite grain size of a few micrometers was achieved based on cold rolling and high-temperature short-term annealing, an extreme grain refinement up to submicrometer regime was obtained by cold rolling followed by low-temperature long-term annealing. However, the required annealing time was found to be much longer, which negates its appropriateness for industrial production. While a magnificent grain refinement was achieved by one pass of the high-temperature thermomechanical process, the reduction in grain size was negligible by the repetition of the whole cycle. It was found that the hardness of the thermomechanically processed material is much higher than that of the as-received material. The results of the present work were shown to be compatible with the general trend of grain size dependence of hardness for AISI 304L stainless steel based on the Hall-Petch relationship. The results were also discussed based on the X-ray evaluation of dislocation density by modified Williamson-Hall plots.

Prediction-based Dynamic Energy Management in Wireless Sensor Networks

PubMed Central

Wang, Xue; Ma, Jun-Jie; Wang, Sheng; Bi, Dao-Wei

2007-01-01

Energy consumption is a critical constraint in wireless sensor networks. Focusing on the energy efficiency problem of wireless sensor networks, this paper proposes a method of prediction-based dynamic energy management. A particle filter was introduced to predict a target state, which was adopted to awaken wireless sensor nodes so that their sleep time was prolonged. With the distributed computing capability of nodes, an optimization approach of distributed genetic algorithm and simulated annealing was proposed to minimize the energy consumption of measurement. Considering the application of target tracking, we implemented target position prediction, node sleep scheduling and optimal sensing node selection. Moreover, a routing scheme of forwarding nodes was presented to achieve extra energy conservation. Experimental results of target tracking verified that energy-efficiency is enhanced by prediction-based dynamic energy management.

Quantum annealing with parametrically driven nonlinear oscillators

NASA Astrophysics Data System (ADS)

Puri, Shruti

While progress has been made towards building Ising machines to solve hard combinatorial optimization problems, quantum speedups have so far been elusive. Furthermore, protecting annealers against decoherence and achieving long-range connectivity remain important outstanding challenges. With the hope of overcoming these challenges, I introduce a new paradigm for quantum annealing that relies on continuous variable states. Unlike the more conventional approach based on two-level systems, in this approach, quantum information is encoded in two coherent states that are stabilized by parametrically driving a nonlinear resonator. I will show that a fully connected Ising problem can be mapped onto a network of such resonators, and outline an annealing protocol based on adiabatic quantum computing. During the protocol, the resonators in the network evolve from vacuum to coherent states representing the ground state configuration of the encoded problem. In short, the system evolves between two classical states following non-classical dynamics. As will be supported by numerical results, this new annealing paradigm leads to superior noise resilience. Finally, I will discuss a realistic circuit QED realization of an all-to-all connected network of parametrically driven nonlinear resonators. The continuous variable nature of the states in the large Hilbert space of the resonator provides new opportunities for exploring quantum phase transitions and non-stoquastic dynamics during the annealing schedule.

Influence of the Starting Microstructure on the Hot Deformation Behavior of a Low Stacking Fault Energy Ni-based Superalloy

NASA Astrophysics Data System (ADS)

McCarley, Joshua; Alabbad, B.; Tin, S.

2018-03-01

The influence of varying fractions of primary gamma prime precipitates on the hot deformation and annealing behavior of an experimental Nickel-based superalloy containing 24 wt pct. Co was investigated. Billets heat treated at 1110 °C or 1135 °C were subjected to hot compression tests at temperatures ranging from 1020 °C to 1060 °C and strain rates ranging from 0.001 to 0.1/s. The microstructures were characterized using electron back scatter diffraction in the as-deformed condition as well as following a super-solvus anneal heat treatment at 1140 °C for 1 hour. This investigation sought to quantify and understand what effect the volume fraction of primary gamma prime precipitates has on the dynamic recrystallization behavior and resulting length fraction ∑3 twin boundaries in the low stacking fault superalloy following annealing. Although deformation at the lower temperatures and higher strain rates led to dynamic recrystallization for both starting microstructures, comparatively lower recrystallized fractions were observed in the 1135 °C billet microstructures deformed at strain rates of 0.1/s and 0.05/s. Subsequent annealing of the 1135 °C billet microstructures led to a higher proportion of annealing twins when compared to the annealed 1110 °C billet microstructures.

Optically tuned terahertz modulator based on annealed multilayer MoS2.

PubMed

Cao, Yapeng; Gan, Sheng; Geng, Zhaoxin; Liu, Jian; Yang, Yuping; Bao, Qiaoling; Chen, Hongda

2016-03-08

Controlling the propagation properties of terahertz waves is very important in terahertz technologies applied in high-speed communication. Therefore a new-type optically tuned terahertz modulator based on multilayer-MoS2 and silicon is experimentally demonstrated. The terahertz transmission could be significantly modulated by changing the power of the pumping laser. With an annealing treatment as a p-doping method, MoS2 on silicon demonstrates a triple enhancement of terahertz modulation depth compared with the bare silicon. This MoS2-based device even exhibited much higher modulation efficiency than the graphene-based device. We also analyzed the mechanism of the modulation enhancement originated from annealed MoS2, and found that it is different from that of graphene-based device. The unique optical modulating properties of the device exhibit tremendous promise for applications in terahertz switch.

Optimizing pulsed Nd:YAG laser beam welding process parameters to attain maximum ultimate tensile strength for thin AISI316L sheet using response surface methodology and simulated annealing algorithm

NASA Astrophysics Data System (ADS)

Torabi, Amir; Kolahan, Farhad

2018-07-01

Pulsed laser welding is a powerful technique especially suitable for joining thin sheet metals. In this study, based on experimental data, pulsed laser welding of thin AISI316L austenitic stainless steel sheet has been modeled and optimized. The experimental data required for modeling are gathered as per Central Composite Design matrix in Response Surface Methodology (RSM) with full replication of 31 runs. Ultimate Tensile Strength (UTS) is considered as the main quality measure in laser welding. Furthermore, the important process parameters including peak power, pulse duration, pulse frequency and welding speed are selected as input process parameters. The relation between input parameters and the output response is established via full quadratic response surface regression with confidence level of 95%. The adequacy of the regression model was verified using Analysis of Variance technique results. The main effects of each factor and the interactions effects with other factors were analyzed graphically in contour and surface plot. Next, to maximum joint UTS, the best combinations of parameters levels were specified using RSM. Moreover, the mathematical model is implanted into a Simulated Annealing (SA) optimization algorithm to determine the optimal values of process parameters. The results obtained by both SA and RSM optimization techniques are in good agreement. The optimal parameters settings for peak power of 1800 W, pulse duration of 4.5 ms, frequency of 4.2 Hz and welding speed of 0.5 mm/s would result in a welded joint with 96% of the base metal UTS. Computational results clearly demonstrate that the proposed modeling and optimization procedures perform quite well for pulsed laser welding process.

Graph drawing using tabu search coupled with path relinking.

PubMed

Dib, Fadi K; Rodgers, Peter

2018-01-01

Graph drawing, or the automatic layout of graphs, is a challenging problem. There are several search based methods for graph drawing which are based on optimizing an objective function which is formed from a weighted sum of multiple criteria. In this paper, we propose a new neighbourhood search method which uses a tabu search coupled with path relinking to optimize such objective functions for general graph layouts with undirected straight lines. To our knowledge, before our work, neither of these methods have been previously used in general multi-criteria graph drawing. Tabu search uses a memory list to speed up searching by avoiding previously tested solutions, while the path relinking method generates new solutions by exploring paths that connect high quality solutions. We use path relinking periodically within the tabu search procedure to speed up the identification of good solutions. We have evaluated our new method against the commonly used neighbourhood search optimization techniques: hill climbing and simulated annealing. Our evaluation examines the quality of the graph layout (objective function's value) and the speed of layout in terms of the number of evaluated solutions required to draw a graph. We also examine the relative scalability of each method. Our experimental results were applied to both random graphs and a real-world dataset. We show that our method outperforms both hill climbing and simulated annealing by producing a better layout in a lower number of evaluated solutions. In addition, we demonstrate that our method has greater scalability as it can layout larger graphs than the state-of-the-art neighbourhood search methods. Finally, we show that similar results can be produced in a real world setting by testing our method against a standard public graph dataset.

Graph drawing using tabu search coupled with path relinking

PubMed Central

Rodgers, Peter

2018-01-01

Graph drawing, or the automatic layout of graphs, is a challenging problem. There are several search based methods for graph drawing which are based on optimizing an objective function which is formed from a weighted sum of multiple criteria. In this paper, we propose a new neighbourhood search method which uses a tabu search coupled with path relinking to optimize such objective functions for general graph layouts with undirected straight lines. To our knowledge, before our work, neither of these methods have been previously used in general multi-criteria graph drawing. Tabu search uses a memory list to speed up searching by avoiding previously tested solutions, while the path relinking method generates new solutions by exploring paths that connect high quality solutions. We use path relinking periodically within the tabu search procedure to speed up the identification of good solutions. We have evaluated our new method against the commonly used neighbourhood search optimization techniques: hill climbing and simulated annealing. Our evaluation examines the quality of the graph layout (objective function’s value) and the speed of layout in terms of the number of evaluated solutions required to draw a graph. We also examine the relative scalability of each method. Our experimental results were applied to both random graphs and a real-world dataset. We show that our method outperforms both hill climbing and simulated annealing by producing a better layout in a lower number of evaluated solutions. In addition, we demonstrate that our method has greater scalability as it can layout larger graphs than the state-of-the-art neighbourhood search methods. Finally, we show that similar results can be produced in a real world setting by testing our method against a standard public graph dataset. PMID:29746576

Thermal analysis of the vortex tube based thermocycler for fast DNA amplification: Experimental and two-dimensional numerical results

NASA Astrophysics Data System (ADS)

Raghavan, V.; Whitney, Scott E.; Ebmeier, Ryan J.; Padhye, Nisha V.; Nelson, Michael; Viljoen, Hendrik J.; Gogos, George

2006-09-01

In this article, experimental and numerical analyses to investigate the thermal control of an innovative vortex tube based polymerase chain reaction (VT-PCR) thermocycler are described. VT-PCR is capable of rapid DNA amplification and real-time optical detection. The device rapidly cycles six 20μl 96bp λ-DNA samples between the PCR stages (denaturation, annealing, and elongation) for 30cycles in approximately 6min. Two-dimensional numerical simulations have been carried out using computational fluid dynamics (CFD) software FLUENT v.6.2.16. Experiments and CFD simulations have been carried out to measure/predict the temperature variation between the samples and within each sample. Heat transfer rate (primarily dictated by the temperature differences between the samples and the external air heating or cooling them) governs the temperature distribution between and within the samples. Temperature variation between and within the samples during the denaturation stage has been quite uniform (maximum variation around ±0.5 and 1.6°C, respectively). During cooling, by adjusting the cold release valves in the VT-PCR during some stage of cooling, the heat transfer rate has been controlled. Improved thermal control, which increases the efficiency of the PCR process, has been obtained both experimentally and numerically by slightly decreasing the rate of cooling. Thus, almost uniform temperature distribution between and within the samples (within 1°C) has been attained for the annealing stage as well. It is shown that the VT-PCR is a fully functional PCR machine capable of amplifying specific DNA target sequences in less time than conventional PCR devices.

Highly reliable Ag/Zn/Ag ohmic reflector for high-power GaN-based vertical light-emitting diode.

PubMed

Yum, Woong-Sun; Jeon, Joon-Woo; Sung, Jun-Suk; Seong, Tae-Yeon

2012-08-13

We report the improved performance of InGaN/GaN-based light-emitting diodes (LEDs) through Ag reflectors combined with a Zn middle layer. It is shown that the Zn middle layer (5 nm thick) suppresses the agglomeration of Ag reflectors by forming ZnO and dissolving into Ag. The Ag/Zn/Ag contacts show a specific contact resistance of 6.2 × 10(-5) Ωcm(2) and reflectance of ~83% at a wavelength of 440 nm when annealed at 500 °C, which are much better than those of Ag only contacts. Blue LEDs fabricated with the 500 °C-annealed Ag/Zn/Ag reflectors show a forward voltage of 2.98 V at an injection current of 20 mA, which is lower than that (3.02 V) of LEDs with the annealed Ag only contacts. LEDs with the 500 °C-annealed Ag/Zn/Ag contacts exhibit 34% higher output power (at 20 mA) than LEDs with the annealed Ag only contacts.

Josephson Circuits as Vector Quantum Spins

NASA Astrophysics Data System (ADS)

Samach, Gabriel; Kerman, Andrew J.

While superconducting circuits based on Josephson junction technology can be engineered to represent spins in the quantum transverse-field Ising model, no circuit architecture to date has succeeded in emulating the vector quantum spin models of interest for next-generation quantum annealers and quantum simulators. Here, we present novel Josephson circuits which may provide these capabilities. We discuss our rigorous quantum-mechanical simulations of these circuits, as well as the larger architectures they may enable. This research was funded by the Office of the Director of National Intelligence (ODNI) and the Intelligence Advanced Research Projects Activity (IARPA) under Air Force Contract No. FA8721-05-C-0002. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of ODNI, IARPA, or the US Government.

Cesium lead iodide solar cells controlled by annealing temperature.

PubMed

Kim, Yu Geun; Kim, Tae-Yoon; Oh, Jeong Hyeon; Choi, Kyoung Soon; Kim, Youn-Jea; Kim, Soo Young

2017-02-22

An inorganic lead halide perovskite film, CsPbI 3 , used as an absorber in perovskite solar cells (PSCs) was optimized by controlling the annealing temperature and the layer thickness. The CsPbI 3 layer was synthesized by one-step coating of CsI mixed with PbI 2 and a HI additive in N,N-dimethylformamide. The annealing temperature of the CsPbI 3 film was varied from 80 to 120 °C for different durations and the thickness was controlled by changing the spin-coating rpm. After annealing the CsPbI 3 layer at 100 °C under dark conditions for 10 min, a black phase of CsPbI 3 was formed and the band gap was 1.69 eV. Most of the yellow spots disappeared, the surface coverage was almost 100%, and the rms roughness was minimized to 3.03 nm after annealing at 100 °C. The power conversion efficiency (PCE) of the CsPbI 3 based PSC annealed at 100 °C was 4.88%. This high PCE value is attributed to the low yellow phase ratio, high surface coverage, low rms roughness, lower charge transport resistance, and lower charge accumulation. The loss ratio of the PCE of the CH 3 NH 3 PbI x Cl 3-x and CsPbI 3 based PSCs after keeping in air was 47 and 26%, respectively, indicating that the stability of the CsPbI 3 based PSC is better than that of the CH 3 NH 3 PbI x Cl 3-x based PSC. From these results, it is evident that CsPbI 3 is a potential candidate for solar cell applications.

Control of magnetic, nonmagnetic, and superconducting states in annealed Ca(Fe 1–xCo x)₂As₂

DOE PAGES

Ran, S.; Bud'ko, S. L.; Straszheim, W. E.; ...

2012-06-22

We have grown single-crystal samples of Co substituted CaFe₂As₂ using an FeAs flux and systematically studied the effects of annealing/quenching temperature on the physical properties of these samples. Whereas the as-grown samples (quenched from 960°C) all enter the collapsed tetragonal phase upon cooling, annealing/quenching temperatures between 350 and 800°C can be used to tune the system to low-temperature antiferromagnetic/orthorhomic or superconducting states as well. The progression of the transition temperature versus annealing/quenching temperature (T-T anneal) phase diagrams with increasing Co concentration shows that, by substituting Co, the antiferromagnetic/orthorhombic and the collapsed tetragonal phase lines are separated and bulk superconductivity ismore » revealed. We established a 3D phase diagram with Co concentration and annealing/quenching temperature as two independent control parameters. At ambient pressure, for modest x and T anneal values, the Ca(Fe₁₋ xCox)₂As₂ system offers ready access to the salient low-temperature states associated with Fe-based superconductors: antiferromagnetic/orthorhombic, superconducting, and nonmagnetic/collapsed tetragonal.« less

Structure and optical properties of Ge/Si quantum dots formed by driving the evolution of Ge thin films via thermal annealing

NASA Astrophysics Data System (ADS)

Shu, Qijiang; Yang, Jie; Chi, Qingbin; Sun, Tao; Wang, Chong; Yang, Yu

2018-04-01

Ge/Si quantum dots (QDs) are fabricated by driving the transformation of a Ge thin film-deposited using the direct current (DC) magnetron sputtering technique by controlling the subsequent in situ annealing processes. The experimental results indicate that, with the increase in annealing temperature, the volume of Ge QDs increases monotonically, while the QD density initially increases then decreases. The maximal QD density can reach 1.1 × 1011 cm‑2 after a 10 min annealing at 650 °C. The Ge–Ge peak of Ge QDs obtained by Raman spectroscopy initially undergoes a blue shift and then a red shift with increasing annealing temperature. This behavior results from the competition between the dislocation and the strain relaxation in QDs. Concurrently, a series of photoelectric detectors are fabricated to evaluate the photoelectric performance of these annealed Ge QD samples. A high-photoelectricity response is demonstrated in the QD sample annealed at 650 °C. Our results pave a promising way for whole-silicon-material optical-electronic integration based on a simple and practicable fabrication method.

Effect of diffusion annealing regimes on the structure of Nb3Sn layers in ITER-type bronze-processed wires

NASA Astrophysics Data System (ADS)

Valova-Zaharevskaya, E. G.; Popova, E. N.; Deryagina, I. L.; Abdyukhanov, I. M.; Tsapleva, A. S.

2018-03-01

The goal of the present study is to characterize the growth kinetics and structural parameters of the Nb3Sn layers formed under various regimes of the diffusion annealing of bronze-processed Nb/Cu-Sn composites. The structure of the superconducting layers is characterized by their thickness, average size of equiaxed grains and by the ratio of fractions of columnar and equiaxed grains. It was found that at higher diffusion annealing temperatures (above 650°C) thicker superconducting layers are obtained, but the average sizes of equiaxed Nb3Sn grains even under short exposures (10 h) are much larger than after the long low-temperature annealing. At the low-temperature (575 °C) annealing the relative fraction of columnar grains increases with increasing annealing time. Based on the data obtained, optimal regimes of the diffusion annealing can be chosen, which would on the one hand ensure complete transformation of Nb into Nb3Sn of close to the stoichiometric composition, and on the other hand prevent the formation of coarse and columnar grains.

Strain Evolution of Annealed Hydrogen-Implanted (0001) Sapphire

NASA Astrophysics Data System (ADS)

Wong, Christine Megan

Exfoliation is a technique used to remove a thin, uniform layer of material from the bulk that involves the annealing of hydrogen ion-implanted materials in order to initiate defect nucleation and growth leading to guided crack propagation. This study presents an investigation into the annealing process required to initiate blistering (an essential precursor to exfoliation) in (0001) sapphire implanted at room temperature with hydrogen ions. Triple axis x-ray diffraction was used to characterize the evolution of the implanted layer for single crystal (0001) sapphire substrates implanted at room temperature at 360 keV with either a 5x1016 cm -2 or 8x1016 cm-2 dose of hydrogen ions. A simulation of the ion distribution in TRIM estimated that the projected range and thickness of the implanted layer for both doses was approximately 2.2 mum. Following implantation, the implanted sapphire was annealed using a two-step annealing procedure. The first step was performed at a lower temperature, ideally to nucleate and coarsen defects. Temperatures investigated ranged from 550 - 650 °C. The second step was performed at a higher temperature (800 °C) to induce further defect coarsening and surface blistering. After all annealing steps, triple axis o/2theta and o scans were taken to observe any changes in the diffraction profile - namely, any reduction in the amplitude and shift in the location of the fringes associated with strain in the crystal - which would correlate with defect growth and nucleation. It was found that significant strain fringe reduction first occurred after annealing at 650 °C for 8 hours for both doses; however, it was not clear whether or not this strain reduction was due primarily to hydrogen diffusion or to recovery of other defects induced during the ion implantation. The o/2theta curves were then fit using Bede RADS in order to quantify the strain within the crystal and confirm the reduction of the strained layer within the crystal. Finally, Nomarski optical images of the sample surfaces were taken after each step to observe any visual changes or blistering that might have occurred. These optical images showed that the strain reduction observed using XRD did not correlate to blistering, as no blisters were observed in any of the optical images. Experimental results showed that at temperatures below 650 °C, no significant strain reduction occurs in hydrogen ion implanted (0001) sapphire. It has also been determined that for (0001) sapphire implanted at room temperature, it was not possible to produce surface blistering after a two-step annealing process at 650 °C and 800 °C, although significant strain reduction did occur, and ? scans showed peak broadening with subsequent annealing, indicating increasing mosaicity and potential defect nucleation. This was in contrast to previous findings that asserted that for sapphire annealed at 650 °C, surface blistering was observable. As previous findings were based on sapphire implanted at elevated temperatures, this may imply that the sapphire substrate reaches a higher temperature than expected during such implantation processes, which may account for the capability for surface blistering at a lower temperature. Conversely, for room temperature ion implantation, temperatures greater than 800 °C may be necessary to first nucleate hydrogen platelet defects and then produce surface blistering.

Homogenization of CZ Si wafers by Tabula Rasa annealing

NASA Astrophysics Data System (ADS)

Meduňa, M.; Caha, O.; Kuběna, J.; Kuběna, A.; Buršík, J.

2009-12-01

The precipitation of interstitial oxygen in Czochralski grown silicon has been investigated by infrared absorption spectroscopy, chemical etching, transmission electron microscopy and X-ray diffraction after application of homogenization annealing process called Tabula Rasa. The influence of this homogenization step consisting in short time annealing at high temperature has been observed for various temperatures and times. The experimental results involving the interstitial oxygen decay in Si wafers and absorption spectra of SiOx precipitates during precipitation annealing at 1000∘ C were compared with other techniques for various Tabula Rasa temperatures. The differences in oxygen precipitation, precipitate morphology and evolution of point defects in samples with and without Tabula Rasa applied is evident from all used experimental techniques. The results qualitatively correlate with prediction of homogenization annealing process based on classical nucleation theory.

On the correlation between microscopic structural heterogeneity and embrittlement behavior in metallic glasses

PubMed Central

Li, Weidong; Gao, Yanfei; Bei, Hongbin

2015-01-01

In order to establish a relationship between microstructure and mechanical properties, we systematically annealed a Zr-based bulk metallic glass (BMG) at 100 ~ 300 °C and measured their mechanical and thermal properties. The as-cast BMG exhibits some ductility, while the increase of annealing temperature and time leads to the transition to a brittle behavior that can reach nearly-zero fracture energy. The differential scanning calorimetry did not find any significant changes in crystallization temperature and enthalpy, indicating that the materials still remained fully amorphous. Elastic constants measured by ultrasonic technique vary only slightly with respect to annealing temperature and time, which does obey the empirical relationship between Poisson’s ratio and fracture behavior. Nanoindentation pop-in tests were conducted, from which the pop-in strength mapping provides a “mechanical probe” of the microscopic structural heterogeneities in these metallic glasses. Based on stochastically statistic defect model, we found that the defect density decreases with increasing annealing temperature and annealing time and is exponentially related to the fracture energy. A ductile-versus-brittle behavior (DBB) model based on the structural heterogeneity is developed to identify the physical origins of the embrittlement behavior through the interactions between these defects and crack tip. PMID:26435318

On the correlation between microscopic structural heterogeneity and embrittlement behavior in metallic glasses

DOE PAGES

Li, Weidong; Gao, Yanfei; Bei, Hongbin

2015-10-05

To establish a relationship between microstructure and mechanical properties, we systematically annealed a Zr-based bulk metallic glass (BMG) at 100 ~ 300°C and measured their mechanical and thermal properties. The as-cast BMG exhibits some ductility, while the increase of annealing temperature and time leads to the transition to a brittle behavior that can reach nearly-zero fracture energy. The differential scanning calorimetry did not find any significant changes in crystallization temperature and enthalpy, indicating that the materials still remained fully amorphous. Elastic constants measured by ultrasonic technique vary only slightly with respect to annealing temperature and time, which does obey themore » empirical relationship between Poisson’s ratio and fracture behavior. Nanoindentation pop-in tests were conducted, from which the pop-in strength mapping provides a “mechanical probe” of the microscopic structural heterogeneities in these metallic glasses. Based on stochastically statistic defect model, we found that the defect density decreases with increasing annealing temperature and annealing time and is exponentially related to the fracture energy. A ductile-versus-brittle behavior (DBB) model based on the structural heterogeneity is developed to identify the physical origins of the embrittlement behavior through the interactions between these defects and crack tip.« less

Stress corrosion crack initiation of alloy 600 in PWR primary water

DOE PAGES

Zhai, Ziqing; Toloczko, Mychailo B.; Olszta, Matthew J.; ...

2017-04-27

Stress corrosion crack (SCC) initiation of three mill-annealed alloy 600 heats in simulated pressurized water reactor primary water has been investigated using constant load tests equipped with in-situ direct current potential drop (DCPD) measurement capabilities. SCC initiation times were greatly reduced by a small amount of cold work. Shallow intergranular attack and/or cracks were found on most high-energy grain boundaries intersecting the surface with only a small fraction evolving into larger cracks and intergranular SCC growth. Crack depth profiles were measured and related to DCPD-detected initiation response. Lastly, we discuss processes controlling the SCC initiation in mill-annealed alloy 600.

Stress corrosion crack initiation of alloy 600 in PWR primary water

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

Zhai, Ziqing; Toloczko, Mychailo B.; Olszta, Matthew J.

Stress corrosion crack (SCC) initiation of three mill-annealed alloy 600 heats in simulated pressurized water reactor primary water has been investigated using constant load tests equipped with in-situ direct current potential drop (DCPD) measurement capabilities. SCC initiation times were greatly reduced by a small amount of cold work. Shallow intergranular attack and/or cracks were found on most high-energy grain boundaries intersecting the surface with only a small fraction evolving into larger cracks and intergranular SCC growth. Crack depth profiles were measured and related to DCPD-detected initiation response. Lastly, we discuss processes controlling the SCC initiation in mill-annealed alloy 600.

UAV Mission Planning under Uncertainty

DTIC Science & Technology

2006-06-01

algorithm , adapted from [13] . 57 4-5 Robust Optimization considers only a subset of the feasible region . 61 5-1 Overview of simulation with parameter...incorporates the robust optimization method suggested by Bertsimas and Sim [12], and is solved with a standard Branch- and-Cut algorithm . The chapter... algorithms , and the heuristic methods of Local Search methods and Simulated Annealing. With each method, we attempt to give a review of research that has

Improved Turn-On and Operating Voltages in AlGaN-Based Deep-Ultraviolet Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Hao, Guo-Dong; Taniguchi, Manabu; Tamari, Naoki; Inoue, Shin-ichiro

2017-10-01

While good ohmic contact formation has been achieved on both p-GaN and n-AlGaN surfaces, the turn-on and operating voltages of AlGaN-based deep-ultraviolet light-emitting diodes (DUV-LEDs) remain very high. We find that this critical problem is mainly caused by the large difference between the annealing temperatures required for ohmic contact formation on the p-GaN and high Al-fraction n-AlGaN surfaces. We studied the effects of the high-temperature annealing treatments required for n-ohmic contact formation on the subsequent p-ohmic contact formation process in DUV-LEDs. The results show that post-annealing treatment at high temperature is necessary to form an ohmic contact on n-Al0.7Ga0.3N, but a treatment temperature of 900°C or more could cause severe degradation of the specific contact resistivity and the bulk resistivity of p-GaN. We conclude that 900°C is the optimum temperature to form an ohmic contact on n-Al0.7Ga0.3N in DUV-LEDs, where p-GaN and n-Al0.7Ga0.3N act as the p- and n-ohmic contact layers, respectively. We also found that the specific contact resistivity of p-GaN can be reduced by an additional low-temperature annealing treatment after the high-temperature annealing step; this effect can be attributed to the enhancement of the hole concentration in the p-GaN surface contact region. Finally, DUV-LEDs that emit at 280 nm were fabricated using four different annealing treatments during processing. A considerable reduction in the series resistance and thereby in the operating voltage was confirmed using the annealing process proposed above, consisting of a high-temperature anneal at 900°C followed by a low-temperature anneal at 500°C for 3 min.

Effects of dew point on selective oxidation of TRIP steels containing Si, Mn, and B

NASA Astrophysics Data System (ADS)

Lee, Suk-Kyu; Kim, Jong-Sang; Choi, Jin-Won; Kang, Namhyun; Cho, Kyung-Mox

2011-04-01

The selective oxidation of Si, Mn, and B on TRIP steel surfaces is a widely known phenomenon that occurs during heat treatment. However, the relationship between oxide formation and the annealing factors is not completely understood. This study examines the effect of the annealing conditions (dew point and annealing temperature) on oxide formation. A low dew point of -40 °C leads to the formation of Si-based oxides on the surface. A high dew point of -20 °C changes the oxide type to Mn-based oxides because the formation of Si oxides on the surface is suppressed by internal oxidation. Mn-based oxides exhibit superior wettability due to aluminothermic reduction during galvanizing.

Effect of solvent and subsequent thermal annealing on the performance of phenylenevinylene copolymer: PCBM solar cells.

PubMed

Sharma, G D; Suresh, P; Sharma, S S; Vijay, Y K; Mikroyannidis, John A

2010-02-01

The morphology of the photoactive layer used in the bulk heterojunction photovoltaic devices is crucial for efficient charge generation and their collection at the electrodes. We investigated the solvent vapor annealing and thermal annealing effect of an alternating phenylenevinylene copolymer P:PCBM blend on its morphology and optical properties. The UV-visible absorption spectroscopy shows that both solvent and thermal annealing can result in self-assembling of copolymer P to form an ordered structure, leading to enhanced absorption in the red region and hole transport enhancement. By combining the solvent and thermal annealing of the devices, the power conversion efficiency is improved. This feature was attributed to the fact that the PCBM molecules begin to diffuse into aggregates and together with the ordered copolymer P phase form bicontinuous pathways in the entire layer for efficient charge separation and transport. Furthermore, the measured photocurrent also suggests that the space charges no longer limit the values of the short circuit current (J(sc)) and fill factor (FF) for solvent-treated and thermally annealed devices. These results indicate that the higher J(sc) and PCE for the solvent-treated and thermally annealed devices can be attributed to the phase separation of active layers, which leads to a balanced carrier mobility. The overall PCE of the device based on the combination of solvent annealing and thermal annealing is about 3.7 %.

Simulation of the Growth of Austenite from As-Quenched Martensite in Medium Mn Steels

NASA Astrophysics Data System (ADS)

Huyan, Fei; Yan, Jia-Yi; Höglund, Lars; Ågren, John; Borgenstam, Annika

2018-04-01

As part of an ongoing development of third-generation advanced high-strength steels with acceptable cost, austenite reversion treatment of medium Mn steels becomes attractive because it can give rise to a microstructure of fine mixture of ferrite and austenite, leading to both high strength and large elongation. The growth of austenite during intercritical annealing is crucial for the final properties, primarily because it determines the fraction, composition, and phase stability of austenite. In the present work, the growth of austenite from as-quenched lath martensite in medium Mn steels has been simulated using the DICTRA software package. Cementite is added into the simulations based on experimental observations. Two types of systems (cells) are used, representing, respectively, (1) austenite and cementite forming apart from each other, and (2) austenite forming on the cementite/martensite interface. An interfacial dissipation energy has also been added to take into account a finite interface mobility. The simulations using the first type of setup with an addition of interfacial dissipation energy are able to reproduce the observed austenite growth in medium Mn steels reasonably well.

Markov random field model-based edge-directed image interpolation.

PubMed

Li, Min; Nguyen, Truong Q

2008-07-01

This paper presents an edge-directed image interpolation algorithm. In the proposed algorithm, the edge directions are implicitly estimated with a statistical-based approach. In opposite to explicit edge directions, the local edge directions are indicated by length-16 weighting vectors. Implicitly, the weighting vectors are used to formulate geometric regularity (GR) constraint (smoothness along edges and sharpness across edges) and the GR constraint is imposed on the interpolated image through the Markov random field (MRF) model. Furthermore, under the maximum a posteriori-MRF framework, the desired interpolated image corresponds to the minimal energy state of a 2-D random field given the low-resolution image. Simulated annealing methods are used to search for the minimal energy state from the state space. To lower the computational complexity of MRF, a single-pass implementation is designed, which performs nearly as well as the iterative optimization. Simulation results show that the proposed MRF model-based edge-directed interpolation method produces edges with strong geometric regularity. Compared to traditional methods and other edge-directed interpolation methods, the proposed method improves the subjective quality of the interpolated edges while maintaining a high PSNR level.

Parameter extraction using global particle swarm optimization approach and the influence of polymer processing temperature on the solar cell parameters

NASA Astrophysics Data System (ADS)

Kumar, S.; Singh, A.; Dhar, A.

2017-08-01

The accurate estimation of the photovoltaic parameters is fundamental to gain an insight of the physical processes occurring inside a photovoltaic device and thereby to optimize its design, fabrication processes, and quality. A simulative approach of accurately determining the device parameters is crucial for cell array and module simulation when applied in practical on-field applications. In this work, we have developed a global particle swarm optimization (GPSO) approach to estimate the different solar cell parameters viz., ideality factor (η), short circuit current (Isc), open circuit voltage (Voc), shunt resistant (Rsh), and series resistance (Rs) with wide a search range of over ±100 % for each model parameter. After validating the accurateness and global search power of the proposed approach with synthetic and noisy data, we applied the technique to the extract the PV parameters of ZnO/PCDTBT based hybrid solar cells (HSCs) prepared under different annealing conditions. Further, we examine the variation of extracted model parameters to unveil the physical processes occurring when different annealing temperatures are employed during the device fabrication and establish the role of improved charge transport in polymer films from independent FET measurements. The evolution of surface morphology, optical absorption, and chemical compositional behaviour of PCDTBT co-polymer films as a function of processing temperature has also been captured in the study and correlated with the findings from the PV parameters extracted using GPSO approach.

Baking a mass-spectrometry data PIE with McMC and simulated annealing: predicting protein post-translational modifications from integrated top-down and bottom-up data.

PubMed

Jefferys, Stuart R; Giddings, Morgan C

2011-03-15

Post-translational modifications are vital to the function of proteins, but are hard to study, especially since several modified isoforms of a protein may be present simultaneously. Mass spectrometers are a great tool for investigating modified proteins, but the data they provide is often incomplete, ambiguous and difficult to interpret. Combining data from multiple experimental techniques-especially bottom-up and top-down mass spectrometry-provides complementary information. When integrated with background knowledge this allows a human expert to interpret what modifications are present and where on a protein they are located. However, the process is arduous and for high-throughput applications needs to be automated. This article explores a data integration methodology based on Markov chain Monte Carlo and simulated annealing. Our software, the Protein Inference Engine (the PIE) applies these algorithms using a modular approach, allowing multiple types of data to be considered simultaneously and for new data types to be added as needed. Even for complicated data representing multiple modifications and several isoforms, the PIE generates accurate modification predictions, including location. When applied to experimental data collected on the L7/L12 ribosomal protein the PIE was able to make predictions consistent with manual interpretation for several different L7/L12 isoforms using a combination of bottom-up data with experimentally identified intact masses. Software, demo projects and source can be downloaded from http://pie.giddingslab.org/

Three-dimensional structure of interleukin 8 in solution.

PubMed

Clore, G M; Appella, E; Yamada, M; Matsushima, K; Gronenborn, A M

1990-02-20

The solution structure of the interleukin 8 (IL-8) dimer has been solved by nuclear magnetic resonance (NMR) spectroscopy and hybrid distance geometry-dynamical simulated annealing calculations. The structure determination is based on a total of 1880 experimental distance restraints (of which 82 are intersubunit) and 362 torsion angle restraints (comprising phi, psi, and chi 1 torsion angles). A total of 30 simulated annealing structures were calculated, and the atomic rms distribution about the mean coordinate positions (excluding residues 1-5 of each subunit) is 0.41 +/- 0.08 A for the backbone atoms and 0.90 +/- 0.08 A for all atoms. The three-dimensional solution structure of the IL-8 dimer reveals a structural motif in which two symmetry-related antiparallel alpha-helices, approximately 24 A long and separated by about 14 A, lie on top of a six-stranded antiparallel beta-sheet platform derived from two three-stranded Greek keys, one from each monomer unit. The general architecture is similar to that of the alpha 1/alpha 2 domains of the human class I histocompatibility antigen HLA-A2. It is suggested that the two alpha-helices form the binding site for the cellular receptor and that the specificity of IL-8, as well as that of a number of related proteins involved in cell-specific chemotaxis, mediation of cell growth, and the inflammatory response, is achieved by the distinct distribution of charged and polar residues at the surface of the helices.

Thermal stability of Cu-Cr-Zr alloy processed by equal-channel angular pressing

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

Abib, Khadidja

Thermal stability of a Cu-Cr-Zr alloy processed by equal-channel angular pressing up to16 passes was investigated using isochronal annealing ranging from 250 to 850 °C for 1 h. The microstructure, crystallographic texture and micro hardness of samples were characterized through electron back scatter diffraction and Vickers micro hardness measurements. The recrystallized grain size was stable between 250 °C and 500 °C then increased quickly. The achieved mean grain size, after 1, 4 and 16 ECAP passes, was around 5.5 μm. A discontinuous mode of recrystallization was found to occur and a Particle Simulated Nucleation mechanism was evidenced. The evolution ofmore » the high angle grain boundary fraction increased notably after annealing above 550 °C. The crystallographic texture after isochronal annealing was similar to that of ECAP simple shear, no change of the texture during annealing was observed but only slight intensity variations. Micro hardness of all Cu–Cr–Zr samples showed a hardening with two peaks at 400 and 500 °C associated with precipitation of Cu cluster and Cu{sub 5}Zr phase respectively, followed by a subsequent softening upon increasing the annealing temperature due to recrystallization. - Highlight: •The Cu-1Cr-0.1Zr alloy shows a very good thermal stability up to 550 °C after ECAP. •A discontinuous recrystallization was found to occur and PSN mechanism was evidenced. •The annealing texture was found weak and some new components appear. •Hardening is attributed to the Cr clustering followed by the Cu{sub 51}Zr{sub 14} precipitation. •Softening is a result of recrystallization and grain growth progressing.« less

Prevention of nanoparticle coalescence under high-temperature annealing.

PubMed

Mizuno, Mikihisa; Sasaki, Yuichi; Yu, Andrew C C; Inoue, Makoto

2004-12-21

An effective method of employing 3-aminopropyldimethylethoxysilane linker molecules to stabilize 4.4 nm FePt nanoparticle monolayer films on a SiO2 substrate as well as to prevent coalescence of the particles under 800 degrees C annealing is reported. As-deposited FePt nanoparticle films in chemically disordered face-centered-cubic phase transform to mostly chemically ordered L1 0 structure after annealing, while the nanoparticles are free from serious coalescence. The method may fulfill the pressing need to prevent nanoparticle coalescence under high-temperature annealing for the development of FePt nanoparticle based products, such as ultrahigh-density magnetic recording media and novel memory devices.

Metallic glass composition. [That does not embrittle upon annealing

DOEpatents

Kroeger, D.M.; Koch, C.C.

1984-09-14

This patent pertains to a metallic glass alloy that is either iron-based or nickel-based or based on a mixture of iron and nickel, containing lesser amounts of elements selected from the group boron, silicon, carbon and phosphorous to which is added an amount of a ductility-enhancing element selected from the group cerium, lanthanum, praseodymium and neodymium sufficient to increase ductility of the metallic glass upon annealing.

Effect of Post-HALT Annealing on Leakage Currents in Solid Tantalum Capacitors

NASA Technical Reports Server (NTRS)

Teverovsky, Alexander

2010-01-01

Degradation of leakage currents is often observed during life testing of tantalum capacitors and is sometimes attributed to the field-induced crystallization in amorphous anodic tantalum pentoxide dielectrics. However, degradation of leakage currents and the possibility of annealing of degraded capacitors have not been investigated yet. In this work the effect of annealing after highly accelerated life testing (HALT) on leakage currents in various types of solid tantalum capacitors was analyzed. Variations of leakage currents with time during annealing at temperatures from 125 oC to 180 oC, thermally stimulated depolarization (TSD) currents, and I-V characteristics were measured to understand the conduction mechanism and the reason for current degradation. Annealing resulted in a gradual decrease of leakage currents and restored their initial values. Repeat HALT after annealing resulted in reproducible degradation of leakage currents. The observed results are explained based on ionic charge instability (drift/diffusion of oxygen vacancies) in the tantalum pentoxide dielectrics using a modified Schottky conduction mechanism.

Microstructural evolution and grain growth kinetics of GZ31 magnesium alloy

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

Roostaei, M., E-mail: miladroustaei68@ut.ac.ir

2016-08-15

Grain growth behavior of Mg–3Gd–1Zn (GZ31) magnesium alloy was studied in a wide range of annealing time and temperature to clarify the kinetics of grain growth, microstructural evolution and related metallurgical phenomena. This material exhibited typical normal grain growth mode under annealing conditions with annealing temperature of lower than 300 °C and soaking time of lower than 240 min. However, the abnormality in grain growth was also evident at annealing temperature of 400 °C and 500 °C. The dependence of abnormal grain growth (AGG) at mentioned annealing temperatures upon microstructural features such as dispersed precipitates, which were rich in Znmore » and Gd, was investigated by optical micrographs, X-ray diffraction patterns, scanning electron microscopy images, and energy dispersive X-ray analysis spectra. The bimodality in grain-size distribution histograms also signified the occurrence of AGG. Based on the experimental data on grain growth obtained by annealing treatments, the grain growth exponent and the activation energy were also figured out.« less

The Kinetics of the as Grown and Annealed Self-Assembled Monolayer Studied by Force Spectroscopy

NASA Astrophysics Data System (ADS)

Habib, Huma; Yasar, M.; Mehmood, S.; Rafique, Saima; Bhatti, A. S.; Naeem, Aisha

The growth of biological systems like DNA, peptides and proteins are accredited to the self-assembly processes from the molecular level to the nanoscale. The flawless immobilization of DNA on any surface is quite an important step to the development of DNA-based biosensors. The present paper reports the use of atomic force microscopy to determine the mechanical properties of the as grown and annealed self-assembled monolayer (SAM) as well as the mutated DNA immobilized on the SAM. The SAM of alkane thiol (16-mercapto-1-hexadecanol) was developed on Au surface, which was then annealed and analyzed for its structural and mechanical properties. The surface coverage, height and monolayer’s order was studied as a function of incubation time and annealing time. Excessive annealing led to the defragmentation and desorption of SAM structures due to breaking of hydrocarbon bonds. AFM was employed to determine the detach separation, pull-off and work of adhesion of the as grown and annealed SAM.

Effect of Vertical Annealing on the Nitrogen Dioxide Response of Organic Thin Film Transistors

PubMed Central

Hou, Sihui; Zhuang, Xinming; Yang, Zuchong

2018-01-01

Nitrogen dioxide (NO2) sensors based on organic thin-film transistors (OTFTs) were fabricated by conventional annealing (horizontal) and vertical annealing processes of organic semiconductor (OSC) films. The NO2 responsivity of OTFTs to 15 ppm of NO2 is 1408% under conditions of vertical annealing and only 72% when conventional annealing is applied. Moreover, gas sensors obtained by vertical annealing achieve a high sensing performance of 589% already at 1 ppm of NO2, while showing a preferential response to NO2 compared with SO2, NH3, CO, and H2S. To analyze the mechanism of performance improvement of OTFT gas sensors, the morphologies of 6,13-bis(triisopropylsilylethynyl)-pentacene (TIPS-pentacene) films were characterized by atomic force microscopy (AFM) in tapping mode. The results show that, in well-aligned TIPS-pentacene films, a large number of effective grain boundaries inside the conducting channel contribute to the enhancement of NO2 gas sensing performance. PMID:29596331

Effect of low thermal budget annealing on surface passivation of silicon by ALD based aluminum oxide films.

PubMed

Vandana; Batra, Neha; Gope, Jhuma; Singh, Rajbir; Panigrahi, Jagannath; Tyagi, Sanjay; Pathi, P; Srivastava, S K; Rauthan, C M S; Singh, P K

2014-10-21

Thermal ALD deposited Al2O3 films on silicon show a marked difference in surface passivation quality as a function of annealing time (using a rapid thermal process). An effective and quality passivation is realized in short anneal duration (∼100 s) in nitrogen ambient which is reflected in the low surface recombination velocity (SRV <10 cm s(-1)). The deduced values are close to the best reported SRV obtained by the high thermal budget process (with annealing time between 10-30 min), conventionally used for improved surface passivation. Both as-deposited and low thermal budget annealed films show the presence of positive fixed charges and this is never been reported in the literature before. The role of field and chemical passivation is investigated in terms of fixed charge and interface defect densities. Further, the importance of the annealing step sequence in the MIS structure fabrication protocol is also investigated from the view point of its effect on the nature of fixed charges.

Effect of boron oxide addition on fibre drawing, mechanical properties and dissolution behaviour of phosphate-based glass fibres with fixed 40, 45 and 50 mol% P2O5

PubMed Central

Sharmin, Nusrat; Parsons, Andrew J; Rudd, Chris D

2014-01-01

Previous studies investigating manufacture of phosphate-based glass fibres from glasses fixed with P2O5 content less than 50 mol% showed that continuous manufacture without breakage was very difficult. In this study, nine phosphate-based glass formulations from the system P2O5-CaO-Na2O-MgO-B2O3 were prepared with P2O5 contents fixed at 40, 45 and 50 mol%, where Na2O was replaced by 5 and 10 mol% B2O3 and MgO and CaO were fixed to 24 and 16 mol%, respectively. The effect of B2O3 addition on the fibre drawing, fibre mechanical properties and dissolution behaviour was investigated. It was found that addition of 5 and 10 mol% B2O3 enabled successful drawing of continuous fibres from glasses with phosphate (P2O5) contents fixed at 40, 45 and 50 mol%. The mechanical properties of the fibres were found to significantly increase with increasing B2O3 content. The highest tensile strength (1200 ± 130 MPa) was recorded for 45P2O5-16CaO-5Na2O-24MgO-10B2O3 glass fibres. The fibres were annealed, and a comparison of the mechanical properties and mode of degradation of annealed and non-annealed fibres were investigated. A decrease in tensile strength and an increase in tensile modulus were observed for the annealed fibres. An assessment of the change in mechanical properties of both the annealed and non-annealed fibres was performed in phosphate-buffered saline (PBS) at 37℃ for 28 and 60 days, respectively. Initial loss of mechanical properties due to annealing was found to be recovered with degradation. The B2O3-containing glass fibres were found to degrade at a much slower rate as compared to the non-B2O3-containing fibres. Both annealed and non-annealed fibres exhibited a peeling effect of the fibre's outer layer during degradation. PMID:24939962

Effect of boron oxide addition on fibre drawing, mechanical properties and dissolution behaviour of phosphate-based glass fibres with fixed 40, 45 and 50 mol% P2O5.

PubMed

Sharmin, Nusrat; Parsons, Andrew J; Rudd, Chris D; Ahmed, Ifty

2014-11-01

Previous studies investigating manufacture of phosphate-based glass fibres from glasses fixed with P2O5 content less than 50 mol% showed that continuous manufacture without breakage was very difficult. In this study, nine phosphate-based glass formulations from the system P2O5-CaO-Na2O-MgO-B2O3 were prepared with P2O5 contents fixed at 40, 45 and 50 mol%, where Na2O was replaced by 5 and 10 mol% B2O3 and MgO and CaO were fixed to 24 and 16 mol%, respectively. The effect of B2O3 addition on the fibre drawing, fibre mechanical properties and dissolution behaviour was investigated. It was found that addition of 5 and 10 mol% B2O3 enabled successful drawing of continuous fibres from glasses with phosphate (P2O5) contents fixed at 40, 45 and 50 mol%. The mechanical properties of the fibres were found to significantly increase with increasing B2O3 content. The highest tensile strength (1200 ± 130 MPa) was recorded for 45P2O5-16CaO-5Na2O-24MgO-10B2O3 glass fibres. The fibres were annealed, and a comparison of the mechanical properties and mode of degradation of annealed and non-annealed fibres were investigated. A decrease in tensile strength and an increase in tensile modulus were observed for the annealed fibres. An assessment of the change in mechanical properties of both the annealed and non-annealed fibres was performed in phosphate-buffered saline (PBS) at 37℃ for 28 and 60 days, respectively. Initial loss of mechanical properties due to annealing was found to be recovered with degradation. The B2O3-containing glass fibres were found to degrade at a much slower rate as compared to the non-B2O3-containing fibres. Both annealed and non-annealed fibres exhibited a peeling effect of the fibre's outer layer during degradation. © The Author(s) 2014 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

A Comparison of Trajectory Optimization Methods for the Impulsive Minimum Fuel Rendezvous Problem

NASA Technical Reports Server (NTRS)

Hughes, Steven P.; Mailhe, Laurie M.; Guzman, Jose J.

2002-01-01

In this paper we present a comparison of optimization approaches to the minimum fuel rendezvous problem. Both indirect and direct methods are compared for a variety of test cases. The indirect approach is based on primer vector theory. The direct approaches are implemented numerically and include Sequential Quadratic Programming (SQP), Quasi-Newton, Simplex, Genetic Algorithms, and Simulated Annealing. Each method is applied to a variety of test cases including, circular to circular coplanar orbits, LEO to GEO, and orbit phasing in highly elliptic orbits. We also compare different constrained optimization routines on complex orbit rendezvous problems with complicated, highly nonlinear constraints.

Micron-sized columnar grains of CH3NH3PbI3 grown by solvent-vapor assisted low-temperature (75 °C) solid-state reaction: The role of non-coordinating solvent-vapor

NASA Astrophysics Data System (ADS)

Zheng, Huifeng; Liu, Yangqiao; Sun, Jing

2018-04-01

The preparation of hybrid perovskite films with large columnar grains via low-temperature solid-state reaction remains a big challenge. Conventional solvent annealing using DMF, DMSO and ethanol, etc. fails to work effectively at low temperature (<100 °C). Here, we comprehensively investigated the effects of non-coordinating solvent vapor on the properties of perovskite film, and obtained micron-sized columnar grains (with an average grain size of 1.4 μm) of CH3NH3PbI3 even at a low temperature of 75 °C when annealed with benzyl alcohol vapor. The perovskite solar cells based on benzyl-alcohol-vapor annealing (75 °C), delivered much higher photovoltaic performance, better stability and smaller hysteresis than those based on conventional thermal annealing. Additionally, a champion power conversion efficiency (PCE) of 15.1% was obtained and the average PCE reached 12.2% with a tiny deviation. Finally, the mechanism of solvent annealing with non-coordinating solvent was discussed. Moreover, we revealed that high polarity and high boiling point of the solvent used for generating vapor, was critical to grow micron-sized columnar grains at such a low temperature (75 °C). This work will contribute to understanding the mechanism of grain growth in solvent annealing and improving its facility and effectiveness.

Hydrological Modelling and Sensitivity Analysis Using Topmodel and Simulated Annealing Techniques.application To The Haute-mentue Catchment(switzerland).

NASA Astrophysics Data System (ADS)

Balin Talamba, D.; Higy, C.; Joerin, C.; Musy, A.

The paper presents an application concerning the hydrological modelling for the Haute-Mentue catchment, located in western Switzerland. A simplified version of Topmodel, developed in a Labview programming environment, was applied in the aim of modelling the hydrological processes on this catchment. Previous researches car- ried out in this region outlined the importance of the environmental tracers in studying the hydrological behaviour and an important knowledge has been accumulated dur- ing this period concerning the mechanisms responsible for runoff generation. In con- formity with the theoretical constraints, Topmodel was applied for an Haute-Mentue sub-catchment where tracing experiments showed constantly low contributions of the soil water during the flood events. The model was applied for two humid periods in 1998. First, the model calibration was done in order to provide the best estimations for the total runoff. Instead, the simulated components (groundwater and rapid flow) showed far deviations from the reality indicated by the tracing experiments. Thus, a new calibration was performed including additional information given by the environ- mental tracing. The calibration of the model was done by using simulated annealing (SA) techniques, which are easy to implement and statistically allow for converging to a global minimum. The only problem is that the method is time and computer consum- ing. To improve this, a version of SA was used which is known as very fast-simulated annealing (VFSA). The principles are the same as for the SA technique. The random search is guided by certain probability distribution and the acceptance criterion is the same as for SA but the VFSA allows for better taking into account the ranges of vari- ation of each parameter. Practice with Topmodel showed that the energy function has different sensitivities along different dimensions of the parameter space. The VFSA algorithm allows differentiated search in relation with the sensitivity of the param- eters. The environmental tracing was used in the aim of constraining the parameter space in order to better simulate the hydrological behaviour of the catchment. VFSA outlined issues for characterising the significance of Topmodel input parameters as well as their uncertainty for the hydrological modelling.

Effect of Annealing Temperature on Microstructure and Mechanical Properties of Hot-Dip Galvanizing DP600 Steel

NASA Astrophysics Data System (ADS)

Hai-yan, Sun; Zhi-li, Liu; Yang, Xu; Jian-qiang, Shi; Lian-xuan, Wang

Hot-dip galvanizing dual phase steel DP600 steel grade with low Si was produced by steel plant and experiments by simulating galvanizing thermal history. The microstructure was observed and analyzed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The effect of different annealing temperatures on the microstructure and mechanical properties of dual-phase steel was also discussed. The experimental results show that the dual-phase steel possesses excellent strength and elongation that match EN10346 600MPa standards. The microstructure is ferrite and martensite. TEM micrograph shows that white ferrite with black martensite islands inlay with a diameter of around 1um and the content of 14 18%. The volume will expand and phase changing take the form of shear transformation when ferrite converted to martensite. So there are high density dislocations in ferrite crystalline grain near martensite. The martensite content growing will be obvious along with annealing temperature going up. But the tendency will be weak when temperature high.

Manufacture of radio frequency micromachined switches with annealing.

PubMed

Lin, Cheng-Yang; Dai, Ching-Liang

2014-01-17

The fabrication and characterization of a radio frequency (RF) micromachined switch with annealing were presented. The structure of the RF switch consists of a membrane, coplanar waveguide (CPW) lines, and eight springs. The RF switch is manufactured using the complementary metal oxide semiconductor (CMOS) process. The switch requires a post-process to release the membrane and springs. The post-process uses a wet etching to remove the sacrificial silicon dioxide layer, and to obtain the suspended structures of the switch. In order to improve the residual stress of the switch, an annealing process is applied to the switch, and the membrane obtains an excellent flatness. The finite element method (FEM) software CoventorWare is utilized to simulate the stress and displacement of the RF switch. Experimental results show that the RF switch has an insertion loss of 0.9 dB at 35 GHz and an isolation of 21 dB at 39 GHz. The actuation voltage of the switch is 14 V.

Manufacture of Radio Frequency Micromachined Switches with Annealing

PubMed Central

Lin, Cheng-Yang; Dai, Ching-Liang

2014-01-01

The fabrication and characterization of a radio frequency (RF) micromachined switch with annealing were presented. The structure of the RF switch consists of a membrane, coplanar waveguide (CPW) lines, and eight springs. The RF switch is manufactured using the complementary metal oxide semiconductor (CMOS) process. The switch requires a post-process to release the membrane and springs. The post-process uses a wet etching to remove the sacrificial silicon dioxide layer, and to obtain the suspended structures of the switch. In order to improve the residual stress of the switch, an annealing process is applied to the switch, and the membrane obtains an excellent flatness. The finite element method (FEM) software CoventorWare is utilized to simulate the stress and displacement of the RF switch. Experimental results show that the RF switch has an insertion loss of 0.9 dB at 35 GHz and an isolation of 21 dB at 39 GHz. The actuation voltage of the switch is 14 V. PMID:24445415

Regulation of multispanning membrane protein topology via post-translational annealing.

PubMed

Van Lehn, Reid C; Zhang, Bin; Miller, Thomas F

2015-09-26

The canonical mechanism for multispanning membrane protein topogenesis suggests that protein topology is established during cotranslational membrane integration. However, this mechanism is inconsistent with the behavior of EmrE, a dual-topology protein for which the mutation of positively charged loop residues, even close to the C-terminus, leads to dramatic shifts in its topology. We use coarse-grained simulations to investigate the Sec-facilitated membrane integration of EmrE and its mutants on realistic biological timescales. This work reveals a mechanism for regulating membrane-protein topogenesis, in which initially misintegrated configurations of the proteins undergo post-translational annealing to reach fully integrated multispanning topologies. The energetic barriers associated with this post-translational annealing process enforce kinetic pathways that dictate the topology of the fully integrated proteins. The proposed mechanism agrees well with the experimentally observed features of EmrE topogenesis and provides a range of experimentally testable predictions regarding the effect of translocon mutations on membrane protein topogenesis.

Nanosecond laser ablated copper superhydrophobic surface with tunable ultrahigh adhesion and its renewability with low temperature annealing

NASA Astrophysics Data System (ADS)

He, An; Liu, Wenwen; Xue, Wei; Yang, Huan; Cao, Yu

2018-03-01

Recently, metallic superhydrophobic surfaces with ultrahigh adhesion have got plentiful attention on account of their significance in scientific researches and industrial applications like droplet transport, drug delivery and novel microfluidic devices. However, the long lead time and transience hindered its in-depth development and industrial application. In this work, nanosecond laser ablation was carried out to construct grid of micro-grooves on copper surface, whereafter, by applying fast ethanol assisted low-temperature annealing, we obtained surface with superhydrophobicity and ultrahigh adhesion within hours. And the ultrahigh adhesion force was found tunable by varying the groove spacing. Using ultrasonic cleaning as the simulation of natural wear and tear in service, the renewability of superhydrophobicity was also investigated, and the result shows that the contact angle can rehabilitate promptly by the processing of ethanol assisted low-temperature annealing, which gives a promising fast and cheap circuitous strategy to realize the long wish durable metallic superhydrophobic surfaces in practical applications.

Optical and electronic properties of sub-surface conducting layers in diamond created by MeV B-implantation at elevated temperatures

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

Willems van Beveren, L. H., E-mail: laurensw@unimelb.edu.au; Bowers, H.; Ganesan, K.

2016-06-14

Boron implantation with in-situ dynamic annealing is used to produce highly conductive sub-surface layers in type IIa (100) diamond plates for the search of a superconducting phase transition. Here, we demonstrate that high-fluence MeV ion-implantation, at elevated temperatures avoids graphitization and can be used to achieve doping densities of 6 at. %. In order to quantify the diamond crystal damage associated with implantation Raman spectroscopy was performed, demonstrating high temperature annealing recovers the lattice. Additionally, low-temperature electronic transport measurements show evidence of charge carrier densities close to the metal-insulator-transition. After electronic characterization, secondary ion mass spectrometry was performed to mapmore » out the ion profile of the implanted plates. The analysis shows close agreement with the simulated ion-profile assuming scaling factors that take into account an average change in diamond density due to device fabrication. Finally, the data show that boron diffusion is negligible during the high temperature annealing process.« less

Conformational energy landscape of the acyl pocket loop in acetylcholinesterase: a Monte Carlo-generalized Born model study.

PubMed

Carlacci, Louis; Millard, Charles B; Olson, Mark A

2004-10-01

The X-ray crystal structure of the reaction product of acetylcholinesterase (AChE) with the inhibitor diisopropylphosphorofluoridate (DFP) showed significant structural displacement in a loop segment of residues 287-290. To understand this conformational selection, a Monte Carlo (MC) simulation study was performed of the energy landscape for the loop segment. A computational strategy was applied by using a combined simulated annealing and room temperature Metropolis sampling approach with solvent polarization modeled by a generalized Born (GB) approximation. Results from thermal annealing reveal a landscape topology of broader basin opening and greater distribution of energies for the displaced loop conformation, while the ensemble average of conformations at 298 K favored a shift in populations toward the native by a free-energy difference in good agreement with the estimated experimental value. Residue motions along a reaction profile of loop conformational reorganization are proposed where Arg-289 is critical in determining electrostatic effects of solvent interaction versus Coulombic charging.

Research on ion implantation in MEMS device fabrication by theory, simulation and experiments

NASA Astrophysics Data System (ADS)

Bai, Minyu; Zhao, Yulong; Jiao, Binbin; Zhu, Lingjian; Zhang, Guodong; Wang, Lei

2018-06-01

Ion implantation is widely utilized in microelectromechanical systems (MEMS), applied for embedded lead, resistors, conductivity modifications and so forth. In order to achieve an expected device, the principle of ion implantation must be carefully examined. The elementary theory of ion implantation including implantation mechanism, projectile range and implantation-caused damage in the target were studied, which can be regarded as the guidance of ion implantation in MEMS device design and fabrication. Critical factors including implantations dose, energy and annealing conditions are examined by simulations and experiments. The implantation dose mainly determines the dopant concentration in the target substrate. The implantation energy is the key factor of the depth of the dopant elements. The annealing time mainly affects the repair degree of lattice damage and thus the activated elements’ ratio. These factors all together contribute to ions’ behavior in the substrates and characters of the devices. The results can be referred to in the MEMS design, especially piezoresistive devices.

A Comparison of Techniques for Scheduling Earth-Observing Satellites

NASA Technical Reports Server (NTRS)

Globus, Al; Crawford, James; Lohn, Jason; Pryor, Anna

2004-01-01

Scheduling observations by coordinated fleets of Earth Observing Satellites (EOS) involves large search spaces, complex constraints and poorly understood bottlenecks, conditions where evolutionary and related algorithms are often effective. However, there are many such algorithms and the best one to use is not clear. Here we compare multiple variants of the genetic algorithm: stochastic hill climbing, simulated annealing, squeaky wheel optimization and iterated sampling on ten realistically-sized EOS scheduling problems. Schedules are represented by a permutation (non-temperal ordering) of the observation requests. A simple deterministic scheduler assigns times and resources to each observation request in the order indicated by the permutation, discarding those that violate the constraints created by previously scheduled observations. Simulated annealing performs best. Random mutation outperform a more 'intelligent' mutator. Furthermore, the best mutator, by a small margin, was a novel approach we call temperature dependent random sampling that makes large changes in the early stages of evolution and smaller changes towards the end of search.

Mathematical model and metaheuristics for simultaneous balancing and sequencing of a robotic mixed-model assembly line

NASA Astrophysics Data System (ADS)

Li, Zixiang; Janardhanan, Mukund Nilakantan; Tang, Qiuhua; Nielsen, Peter

2018-05-01

This article presents the first method to simultaneously balance and sequence robotic mixed-model assembly lines (RMALB/S), which involves three sub-problems: task assignment, model sequencing and robot allocation. A new mixed-integer programming model is developed to minimize makespan and, using CPLEX solver, small-size problems are solved for optimality. Two metaheuristics, the restarted simulated annealing algorithm and co-evolutionary algorithm, are developed and improved to address this NP-hard problem. The restarted simulated annealing method replaces the current temperature with a new temperature to restart the search process. The co-evolutionary method uses a restart mechanism to generate a new population by modifying several vectors simultaneously. The proposed algorithms are tested on a set of benchmark problems and compared with five other high-performing metaheuristics. The proposed algorithms outperform their original editions and the benchmarked methods. The proposed algorithms are able to solve the balancing and sequencing problem of a robotic mixed-model assembly line effectively and efficiently.

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

Aziz, Mohd Khairul Bazli Mohd, E-mail: mkbazli@yahoo.com; Yusof, Fadhilah, E-mail: fadhilahy@utm.my; Daud, Zalina Mohd, E-mail: zalina@ic.utm.my

Recently, many rainfall network design techniques have been developed, discussed and compared by many researchers. Present day hydrological studies require higher levels of accuracy from collected data. In numerous basins, the rain gauge stations are located without clear scientific understanding. In this study, an attempt is made to redesign rain gauge network for Johor, Malaysia in order to meet the required level of accuracy preset by rainfall data users. The existing network of 84 rain gauges in Johor is optimized and redesigned into a new locations by using rainfall, humidity, solar radiation, temperature and wind speed data collected during themore » monsoon season (November - February) of 1975 until 2008. This study used the combination of geostatistics method (variance-reduction method) and simulated annealing as the algorithm of optimization during the redesigned proses. The result shows that the new rain gauge location provides minimum value of estimated variance. This shows that the combination of geostatistics method (variance-reduction method) and simulated annealing is successful in the development of the new optimum rain gauge system.« less

Optimizing Adversary Training and the Structure of the Navy Adversary Fleet

DTIC Science & Technology

2013-09-01

ORGANIZATION REPORT NUMBER 9. SPONSORING /MONITORING AGENCY NAME(S) AND ADDRESS(ES) OPNAV N98 2000 Navy Pentagon , Room 5C469 Washington DC, 20350...an overhaul of existing computers and encryption in the range operations centers (CDR R. Van Diepen, OPNAV Simulator Requirements Officer, personal...1.0. Using a simulated annealing heuristic algorithm in conjunction with the utility assignments, CNA found, in order of priority, that the following

Structural, Morphological, and Electron Transport Studies of Annealing Dependent In2O3 Dye-Sensitized Solar Cell

PubMed Central

Mahalingam, S.; Abdullah, H.; Shaari, S.; Muchtar, A.; Asshari, I.

2015-01-01

Indium oxide (In2O3) thin films annealed at various annealing temperatures were prepared by using spin-coating method for dye-sensitized solar cells (DSSCs). The objective of this research is to enhance the photovoltaic conversion efficiency in In2O3 thin films by finding the optimum annealing temperature and also to study the reason for high and low performance in the annealed In2O3 thin films. The structural and morphological characteristics of In2O3 thin films were studied via XRD patterns, atomic force microscopy (AFM), field-emission scanning electron microscopy (FESEM), EDX sampling, and transmission electron microscopy (TEM). The annealing treatment modified the nanostructures of the In2O3 thin films viewed through FESEM images. The In2O3-450°C-based DSSC exhibited better photovoltaic performance than the other annealed thin films of 1.54%. The electron properties were studied by electrochemical impedance spectroscopy (EIS) unit. The In2O3-450°C thin films provide larger diffusion rate, low recombination effect, and longer electron lifetime, thus enhancing the performance of DSSC. PMID:26146652

The effects of different heat treatment annealing on structural properties of LaFe11.5Si1.5 compound

NASA Astrophysics Data System (ADS)

Norizan, Yang Nurhidayah Asnida; Din, Muhammad Faiz Md; Zamri, Wan Fathul Hakim W.; Hashim, Fakroul Ridzuan; Jusoh, Mohd Taufik; Rahman, Mohd Rashid Abdul

2018-02-01

The cubic NaZn13-type LaFe13-xSix based compounds have been studied systematically and has become one of the most interesting systems for exploring large MCE. Its magnetic properties are strongly doping dependent and provides many of advantage compare to other as magnetic materials for magnetic refrigerator application. In other to produce high quality of cubic NaZn13-type structure, the structural properties of LaFe11.5Si1.5 compounds annealed at different temperature have been investigated. The LaFe11.5Si1.5 compounds was prepared by arc melting and annealed at two different heat treatment which are 1323 K for 14 days and 1523 K for 4 hour. The powder X-ray diffraction (XRD) shows that a short time and high temperature annealing process has benefits for the formation of the NaZn13-type phase compared to a long time and low temperature annealing process. This is shown by the weight fraction of cubic NaZn13- type structure increases from 80% for low temperature annealing to 83% for high temperature annealing. At the same time, high temperature annealing increase the main structure and decrease the impurity (α-Fe and LaFeSi). Furthermore, it can be clearly seen in the Rietveld refinement results that the lattice parameter is increase at the high temperature annealing because of more cubic NaZn13 is formed at higher temperature.

A helium-based model for the effects of radiation damage annealing on helium diffusion kinetics in apatite

NASA Astrophysics Data System (ADS)

Willett, Chelsea D.; Fox, Matthew; Shuster, David L.

2017-11-01

Widely used to study surface processes and the development of topography through geologic time, (U-Th)/He thermochronometry in apatite depends on a quantitative description of the kinetics of 4He diffusion across a range of temperatures, timescales, and geologic scenarios. Empirical observations demonstrate that He diffusivity in apatite is not solely a function of temperature, but also depends on damage to the crystal structure from radioactive decay processes. Commonly-used models accounting for the influence of thermal annealing of radiation damage on He diffusivity assume the net effects evolve in proportion to the rate of fission track annealing, although the majority of radiation damage results from α-recoil. While existing models adequately quantify the net effects of damage annealing in many geologic scenarios, experimental work suggests different annealing rates for the two damage types. Here, we introduce an alpha-damage annealing model (ADAM) that is independent of fission track annealing kinetics, and directly quantifies the influence of thermal annealing on He diffusivity in apatite. We present an empirical fit to diffusion kinetics data and incorporate this fit into a model that tracks the competing effects of radiation damage accumulation and annealing on He diffusivity in apatite through geologic time. Using time-temperature paths to illustrate differences between models, we highlight the influence of damage annealing on data interpretation. In certain, but not all, geologic scenarios, the interpretation of low-temperature thermochronometric data can be strongly influenced by which model of radiation damage annealing is assumed. In particular, geologic scenarios involving 1-2 km of sedimentary burial are especially sensitive to the assumed rate of annealing and its influence on He diffusivity. In cases such as basement rocks in Grand Canyon and the Canadian Shield, (U-Th)/He ages predicted from the ADAM can differ by hundreds of Ma from those predicted by other models for a given thermal path involving extended residence between ∼40-80 °C.

Role of deposition and annealing of the top gate dielectric in a-IGZO TFT-based dual-gate ion-sensitive field-effect transistors

NASA Astrophysics Data System (ADS)

Kumar, Narendra; Sutradhar, Moitri; Kumar, Jitendra; Panda, Siddhartha

2017-03-01

The deposition of the top gate dielectric in thin film transistor (TFT)-based dual-gate ion-sensitive field-effect transistors (DG ISFETs) is critical, and expected not to affect the bottom gate TFT characteristics, while providing a higher pH sensitive surface and efficient capacitive coupling between the gates. Amorphous Ta2O5, in addition to having good sensing properties, possesses a high dielectric constant of ˜25 making it well suited as the top gate dielectric in a DG ISFET by providing higher capacitive coupling (ratio of C top/C bottom) leading to higher amplification. To avoid damage of the a-IGZO channel reported to be caused by plasma exposure, deposition of Ta2O5 by e-beam evaporation followed by annealing was investigated in this work to obtain sensitivity over the Nernst limit. The deteriorated bottom gate TFT characteristics, indicated by an increase in the channel conductance, confirmed that plasma exposure is not the sole contributor to the changes. Oxygen vacancies at the Ta2O5/a-IGZO interface, which emerged during processing, increased the channel conductivity, became filled by optimum annealing in oxygen at 400 °C for 1 h, which was confirmed by an x-ray photoelectron spectroscopy depth profiling analysis. The obtained pH sensitivity of the TFT-based DG ISFET was 402 mV pH-1, which is about 6.8 times the Nernst limit (59 mV pH-1). The concept of capacitive coupling was also demonstrated by simulating an a-IGZO-based DG TFT structure. Here, the exposure of the top gate dielectric to the electrolyte without applying any top gate bias led to changes in the measured threshold voltage of the bottom gate TFT, and this obviated the requirement of a reference electrode needed in conventional ISFETs and other reported DG ISFETs. These devices, with high sensitivities and requiring low volumes (˜2 μl) of analyte solution, could be potential candidates for utilization as chemical sensors and biosensors.

Effects of hydrogen annealing, sulfur segregation and diffusion on the cyclic oxidation resistance of superalloys: A review

NASA Astrophysics Data System (ADS)

Smialek, J. L.; Jayne, D. T.; Schaeffer, J. C.; Murphy, W. H.

1994-12-01

This review is based on the phenomenon of improved oxide scale adhesion for desulfurized superalloys. The proposed adhesion mechanism involves sulfur interfacial segregation and scale-metal bond weakening. Sulfur surface segregation on superalloys is examined as a function of temperature and sulfur content, and is related to the classical behavior predicted by the McLean isotherm. Effective desulfurization to less than 1 ppmw can be accomplished by hydrogen annealing and is described by sulfur diffusion kinetics in nickel. Hydrogen annealing results in excellent cyclic oxidation resistance for a number of advanced superalloys. The concept of a critical sulfur content is discussed in terms of practical annealing conditions and section thicknesses.

Effects of hydrogen annealing, sulfur segregation and diffusion on the cyclic oxidation resistance of superalloys: A review

NASA Technical Reports Server (NTRS)

Smialek, J. L.; Jayne, D. T.; Schaeffer, J. C.; Murphy, W. H.

1994-01-01

This review is based on the phenomenon of improved oxide scale adhesion for desulfurized superalloys. The proposed adhesion mechanism involves sulfur interfacial segregation and scale-metal bond weakening. Sulfur surface segregation on superalloys is examined as a function of temperature and sulfur content, and is related to the classical behavior predicted by the McLean isotherm. Effective desulfurization to less than 1 ppmw can be accomplished by hydrogen annealing and is described by sulfur diffusion kinetics in nickel. Hydrogen annealing results in excellent cyclic oxidation resistance for a number of advanced superalloys. The concept of a critical sulfur content is discussed in terms of practical annealing conditions and section thicknesses.

Effects of Hydrogen Annealing, Sulfur Segregation and Diffusion on the Cyclic Oxidation Resistance of Superalloys: a Review

NASA Technical Reports Server (NTRS)

Smialek, J. L.; Jayne, D. T.; Schaeffer, J. C.; Murphy, W. H.

1994-01-01

This review is based on the phenomenon of improved oxide scale adhesion for desulfurized superalloys. The proposed adhesion mechanism involves sulfur interfacial segregation and scale-metal bond weakening. Sulfur surface segregation on superalloys is examined as a function of temperature and sulfur content and related to classical behavior predicted by the McLean isotherm. Effective desulfurization to less than 1 ppmw can be accomplished by hydrogen annealing and is governed by sulfur diffusion kinetics in nickel. Hydrogen annealing results in excellent cyclic oxidation resistance for a number of advanced superalloys. The concept of a critical sulfur content is discussed in terms of practical annealing conditions and section thicknesses.

Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large Biomolecules.

PubMed

Zhang, Yuwei; Cao, Zexing; Zhang, John Zenghui; Xia, Fei

2017-02-27

Construction of coarse-grained (CG) models for large biomolecules used for multiscale simulations demands a rigorous definition of CG sites for them. Several coarse-graining methods such as the simulated annealing and steepest descent (SASD) based on the essential dynamics coarse-graining (ED-CG) or the stepwise local iterative optimization (SLIO) based on the fluctuation maximization coarse-graining (FM-CG), were developed to do it. However, the practical applications of these methods such as SASD based on ED-CG are subject to limitations because they are too expensive. In this work, we extend the applicability of ED-CG by combining it with the SLIO algorithm. A comprehensive comparison of optimized results and accuracy of various algorithms based on ED-CG show that SLIO is the fastest as well as the most accurate algorithm among them. ED-CG combined with SLIO could give converged results as the number of CG sites increases, which demonstrates that it is another efficient method for coarse-graining large biomolecules. The construction of CG sites for Ras protein by using MD fluctuations demonstrates that the CG sites derived from FM-CG can reflect the fluctuation properties of secondary structures in Ras accurately.

Decoherence in adiabatic quantum computation

NASA Astrophysics Data System (ADS)

Albash, Tameem; Lidar, Daniel A.

2015-06-01

Recent experiments with increasingly larger numbers of qubits have sparked renewed interest in adiabatic quantum computation, and in particular quantum annealing. A central question that is repeatedly asked is whether quantum features of the evolution can survive over the long time scales used for quantum annealing relative to standard measures of the decoherence time. We reconsider the role of decoherence in adiabatic quantum computation and quantum annealing using the adiabatic quantum master-equation formalism. We restrict ourselves to the weak-coupling and singular-coupling limits, which correspond to decoherence in the energy eigenbasis and in the computational basis, respectively. We demonstrate that decoherence in the instantaneous energy eigenbasis does not necessarily detrimentally affect adiabatic quantum computation, and in particular that a short single-qubit T2 time need not imply adverse consequences for the success of the quantum adiabatic algorithm. We further demonstrate that boundary cancellation methods, designed to improve the fidelity of adiabatic quantum computing in the closed-system setting, remain beneficial in the open-system setting. To address the high computational cost of master-equation simulations, we also demonstrate that a quantum Monte Carlo algorithm that explicitly accounts for a thermal bosonic bath can be used to interpolate between classical and quantum annealing. Our study highlights and clarifies the significantly different role played by decoherence in the adiabatic and circuit models of quantum computing.

Measurement and Simulation of Thermal Conductivity of Hafnium-Aluminum Thermal Neutron Absorber Material

DOE PAGES

Guillen, Donna Post; Harris, William H.

2016-05-11

A metal matrix composite (MMC) material comprised of hafnium aluminide (Al3Hf) intermetallic particles in an aluminum matrix has been identified as a promising material for fast-flux irradiation testing applications. This material can filter thermal neutrons while simultaneously providing high rates of conductive cooling for experiment capsules. Our purpose is to investigate effects of Hf-Al material composition and neutron irradiation on thermophysical properties, which were measured before and after irradiation. When performing differential scanning calorimetry (DSC) on the irradiated specimens, a large exotherm corresponding to material annealment was observed. Thus, a test procedure was developed to perform DSC and laser flashmore » analysis (LFA) to obtain the specific heat and thermal diffusivity of pre- and post-annealment specimens. This paper presents the thermal properties for three states of the MMC material: (1) unirradiated, (2) as-irradiated, and (3) irradiated and annealed. Microstructure-property relationships were obtained for the thermal conductivity. These relationships are useful for designing components from this material to operate in irradiation environments. Furthermore, the ability of this material to effectively conduct heat as a function of temperature, volume fraction Al 3Hf, radiation damage and annealing is assessed using the MOOSE suite of computational tools.« less

The effect of electron beam welding on the creep rupture properties of a Nb-Zr-C alloy

NASA Technical Reports Server (NTRS)

Moore, T. J.; Titran, R. H.; Grobstein, T. L.

1986-01-01

Creep rupture tests of electron beam welded PWC-11 sheet were conducted at 1350 K. Full penetration, single pass welds were oriented transverse to the testing direction in 1 mm thick sheet. With this orientation, stress was imposed equally on the base metal, weld metal, and heat-affected zone. Tests were conducted in both the postweld annealed and aged conditions. Unwelded specimens with similar heat treatments were tested for comparative purposes. It was found that the weld region is stronger than the base metal for both the annealed and aged conditions and that the PWC-11 material is stronger in the annealed condition than in the aged condition.