A theoretical comparison of evolutionary algorithms and simulated annealing

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

Hart, W.E.

1995-08-28

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

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.

Deterministic Bragg Coherent Diffraction Imaging.

PubMed

Pavlov, Konstantin M; Punegov, Vasily I; Morgan, Kaye S; Schmalz, Gerd; Paganin, David M

2017-04-25

A deterministic variant of Bragg Coherent Diffraction Imaging is introduced in its kinematical approximation, for X-ray scattering from an imperfect crystal whose imperfections span no more than half of the volume of the crystal. This approach provides a unique analytical reconstruction of the object's structure factor and displacement fields from the 3D diffracted intensity distribution centred around any particular reciprocal lattice vector. The simple closed-form reconstruction algorithm, which requires only one multiplication and one Fourier transformation, is not restricted by assumptions of smallness of the displacement field. The algorithm performs well in simulations incorporating a variety of conditions, including both realistic levels of noise and departures from ideality in the reference (i.e. imperfection-free) part of the crystal.

Removal of Carbide Net in Steel ShKh15 by Optimizing the Mode of Spheroidizing Annealing

NASA Astrophysics Data System (ADS)

Popova, E. V.; Khomutova, A. P.; Yuzhakova, I. V.; Pilipova, A. M.; Smulakovskii, M. E.

2018-03-01

A metallographic study of the carbide phase in rolled sections from bearing steels ShKh15 and ShKh15SG etched in different reagents is performed. The steels are treated by different variants. The experimental results are processed with the aim to correct the mode of spheroidizing annealing of steel ShKh15. The characteristic of the "carbide net remainder" is reduced from 4 - 5 divisions of scale 4 of the GOST 801-78 Standard to 2 scale divisions.

Churchill: an ultra-fast, deterministic, highly scalable and balanced parallelization strategy for the discovery of human genetic variation in clinical and population-scale genomics.

PubMed

Kelly, Benjamin J; Fitch, James R; Hu, Yangqiu; Corsmeier, Donald J; Zhong, Huachun; Wetzel, Amy N; Nordquist, Russell D; Newsom, David L; White, Peter

2015-01-20

While advances in genome sequencing technology make population-scale genomics a possibility, current approaches for analysis of these data rely upon parallelization strategies that have limited scalability, complex implementation and lack reproducibility. Churchill, a balanced regional parallelization strategy, overcomes these challenges, fully automating the multiple steps required to go from raw sequencing reads to variant discovery. Through implementation of novel deterministic parallelization techniques, Churchill allows computationally efficient analysis of a high-depth whole genome sample in less than two hours. The method is highly scalable, enabling full analysis of the 1000 Genomes raw sequence dataset in a week using cloud resources. http://churchill.nchri.org/.

Efficient Integrative Multi-SNP Association Analysis via Deterministic Approximation of Posteriors.

PubMed

Wen, Xiaoquan; Lee, Yeji; Luca, Francesca; Pique-Regi, Roger

2016-06-02

With the increasing availability of functional genomic data, incorporating genomic annotations into genetic association analysis has become a standard procedure. However, the existing methods often lack rigor and/or computational efficiency and consequently do not maximize the utility of functional annotations. In this paper, we propose a rigorous inference procedure to perform integrative association analysis incorporating genomic annotations for both traditional GWASs and emerging molecular QTL mapping studies. In particular, we propose an algorithm, named deterministic approximation of posteriors (DAP), which enables highly efficient and accurate joint enrichment analysis and identification of multiple causal variants. We use a series of simulation studies to highlight the power and computational efficiency of our proposed approach and further demonstrate it by analyzing the cross-population eQTL data from the GEUVADIS project and the multi-tissue eQTL data from the GTEx project. In particular, we find that genetic variants predicted to disrupt transcription factor binding sites are enriched in cis-eQTLs across all tissues. Moreover, the enrichment estimates obtained across the tissues are correlated with the cell types for which the annotations are derived. Copyright © 2016 American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

influx_s: increasing numerical stability and precision for metabolic flux analysis in isotope labelling experiments.

PubMed

Sokol, Serguei; Millard, Pierre; Portais, Jean-Charles

2012-03-01

The problem of stationary metabolic flux analysis based on isotope labelling experiments first appeared in the early 1950s and was basically solved in early 2000s. Several algorithms and software packages are available for this problem. However, the generic stochastic algorithms (simulated annealing or evolution algorithms) currently used in these software require a lot of time to achieve acceptable precision. For deterministic algorithms, a common drawback is the lack of convergence stability for ill-conditioned systems or when started from a random point. In this article, we present a new deterministic algorithm with significantly increased numerical stability and accuracy of flux estimation compared with commonly used algorithms. It requires relatively short CPU time (from several seconds to several minutes with a standard PC architecture) to estimate fluxes in the central carbon metabolism network of Escherichia coli. The software package influx_s implementing this algorithm is distributed under an OpenSource licence at http://metasys.insa-toulouse.fr/software/influx/. Supplementary data are available at Bioinformatics online.

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

Optimization of PCR Condition: The First Study of High Resolution Melting Technique for Screening of APOA1 Variance.

PubMed

Wahyuningsih, Hesty; K Cayami, Ferdy; Bahrudin, Udin; A Sobirin, Mochamad; Ep Mundhofir, Farmaditya; Mh Faradz, Sultana; Hisatome, Ichiro

2017-03-01

High resolution melting (HRM) is a post-PCR technique for variant screening and genotyping based on the different melting points of DNA fragments. The advantages of this technique are that it is fast, simple, and efficient and has a high output, particularly for screening of a large number of samples. APOA1 encodes apolipoprotein A1 (apoA1) which is a major component of high density lipoprotein cholesterol (HDL-C). This study aimed to obtain an optimal quantitative polymerase chain reaction (qPCR)-HRM condition for screening of APOA1 variance. Genomic DNA was isolated from a peripheral blood sample using the salting out method. APOA1 was amplified using the RotorGeneQ 5Plex HRM. The PCR product was visualized with the HRM amplification curve and confirmed using gel electrophoresis. The melting profile was confirmed by looking at the melting curve. Five sets of primers covering the translated region of APOA1 exons were designed with expected PCR product size of 100-400 bps. The amplified segments of DNA were amplicons 2, 3, 4A, 4B, and 4C. Amplicons 2, 3 and 4B were optimized at an annealing temperature of 60 °C at 40 PCR cycles. Amplicon 4A was optimized at an annealing temperature of 62 °C at 45 PCR cycles. Amplicon 4C was optimized at an annealing temperature of 63 °C at 50 PCR cycles. In addition to the suitable procedures of DNA isolation and quantification, primer design and an estimated PCR product size, the data of this study showed that appropriate annealing temperature and PCR cycles were important factors in optimization of HRM technique for variant screening in APOA1 .

Optimization of PCR Condition: The First Study of High Resolution Melting Technique for Screening of APOA1 Variance

PubMed Central

Wahyuningsih, Hesty; K Cayami, Ferdy; Bahrudin, Udin; A Sobirin, Mochamad; EP Mundhofir, Farmaditya; MH Faradz, Sultana; Hisatome, Ichiro

2017-01-01

Background High resolution melting (HRM) is a post-PCR technique for variant screening and genotyping based on the different melting points of DNA fragments. The advantages of this technique are that it is fast, simple, and efficient and has a high output, particularly for screening of a large number of samples. APOA1 encodes apolipoprotein A1 (apoA1) which is a major component of high density lipoprotein cholesterol (HDL-C). This study aimed to obtain an optimal quantitative polymerase chain reaction (qPCR)-HRM condition for screening of APOA1 variance. Methods Genomic DNA was isolated from a peripheral blood sample using the salting out method. APOA1 was amplified using the RotorGeneQ 5Plex HRM. The PCR product was visualized with the HRM amplification curve and confirmed using gel electrophoresis. The melting profile was confirmed by looking at the melting curve. Results Five sets of primers covering the translated region of APOA1 exons were designed with expected PCR product size of 100–400 bps. The amplified segments of DNA were amplicons 2, 3, 4A, 4B, and 4C. Amplicons 2, 3 and 4B were optimized at an annealing temperature of 60 °C at 40 PCR cycles. Amplicon 4A was optimized at an annealing temperature of 62 °C at 45 PCR cycles. Amplicon 4C was optimized at an annealing temperature of 63 °C at 50 PCR cycles. Conclusion In addition to the suitable procedures of DNA isolation and quantification, primer design and an estimated PCR product size, the data of this study showed that appropriate annealing temperature and PCR cycles were important factors in optimization of HRM technique for variant screening in APOA1. PMID:28331418

Decarburizing Annealing of Technical Alloy Fe - 3% Si

NASA Astrophysics Data System (ADS)

Lobanov, M. L.; Gomzikov, A. I.; Akulov, S. V.; Pyatygin, A. I.

2005-09-01

Results of a study illustrating the effect of temperature and moisture content in the atmosphere (5% H2 + 95% N2) on the removal of carbon and oxidation of the surface layer of technical alloy Fe - 3% Si (electrical anisotropic steel of the nitride-copper production variant) are presented. Variation of the concentration of silicon over the thickness of the surface layer is studied. The types of phases forming on the surface and their influence on the occurrence of the processes are determined. Annealing parameters (temperature and moisture content of the atmosphere) at which the processes of decarburization and oxidation are decelerated and even stopped are established.

A low density microarray method for the identification of human papillomavirus type 18 variants.

PubMed

Meza-Menchaca, Thuluz; Williams, John; Rodríguez-Estrada, Rocío B; García-Bravo, Aracely; Ramos-Ligonio, Ángel; López-Monteon, Aracely; Zepeda, Rossana C

2013-09-26

We describe a novel microarray based-method for the screening of oncogenic human papillomavirus 18 (HPV-18) molecular variants. Due to the fact that sequencing methodology may underestimate samples containing more than one variant we designed a specific and sensitive stacking DNA hybridization assay. This technology can be used to discriminate between three possible phylogenetic branches of HPV-18. Probes were attached covalently on glass slides and hybridized with single-stranded DNA targets. Prior to hybridization with the probes, the target strands were pre-annealed with the three auxiliary contiguous oligonucleotides flanking the target sequences. Screening HPV-18 positive cell lines and cervical samples were used to evaluate the performance of this HPV DNA microarray. Our results demonstrate that the HPV-18's variants hybridized specifically to probes, with no detection of unspecific signals. Specific probes successfully reveal detectable point mutations in these variants. The present DNA oligoarray system can be used as a reliable, sensitive and specific method for HPV-18 variant screening. Furthermore, this simple assay allows the use of inexpensive equipment, making it accessible in resource-poor settings.

A Low Density Microarray Method for the Identification of Human Papillomavirus Type 18 Variants

PubMed Central

Meza-Menchaca, Thuluz; Williams, John; Rodríguez-Estrada, Rocío B.; García-Bravo, Aracely; Ramos-Ligonio, Ángel; López-Monteon, Aracely; Zepeda, Rossana C.

2013-01-01

We describe a novel microarray based-method for the screening of oncogenic human papillomavirus 18 (HPV-18) molecular variants. Due to the fact that sequencing methodology may underestimate samples containing more than one variant we designed a specific and sensitive stacking DNA hybridization assay. This technology can be used to discriminate between three possible phylogenetic branches of HPV-18. Probes were attached covalently on glass slides and hybridized with single-stranded DNA targets. Prior to hybridization with the probes, the target strands were pre-annealed with the three auxiliary contiguous oligonucleotides flanking the target sequences. Screening HPV-18 positive cell lines and cervical samples were used to evaluate the performance of this HPV DNA microarray. Our results demonstrate that the HPV-18's variants hybridized specifically to probes, with no detection of unspecific signals. Specific probes successfully reveal detectable point mutations in these variants. The present DNA oligoarray system can be used as a reliable, sensitive and specific method for HPV-18 variant screening. Furthermore, this simple assay allows the use of inexpensive equipment, making it accessible in resource-poor settings. PMID:24077317

Microstructural and Textural Differences Induced by Water and Furnace Cooling in Commercially Pure Zr Annealed in the α + β Region

NASA Astrophysics Data System (ADS)

Chai, Linjiang; Wang, Tingting; Ren, Yi; Song, Bo; Guo, Ning; Chen, Liangyu

2018-07-01

In this work, a commercially pure Zr sheet with a typical bimodal basal texture was annealed in an α + β region and then subjected to different coolings (in water and furnace). Microstructures and textures of both the as-received and the heat-treated specimens were investigated by electron channeling contrast imaging and electron backscatter diffraction techniques. Results show that a duplex microstructure consisting of untransformed bulk α grains and twinned martensitic plates is produced in the water-cooled specimen, which possesses a weakened texture compared to the initial one. For the specimen cooled in furnace, however, a uniform microstructure fully comprised of coarser equiaxed grains with a strengthened texture is obtained. Analyses reveal that the rapid cooling in water could suppress variant selection behaviors during β → α transformation and allow α plates with scattered orientations to be nucleated inside β phases, contributing to the weakened texture. In contrast, during slow cooling in furnace, β boundaries would act as preferred nucleation sites of α embryos, resulting in a strong variant selection that accounts for the intensified texture.

Microstructural and Textural Differences Induced by Water and Furnace Cooling in Commercially Pure Zr Annealed in the α + β Region

NASA Astrophysics Data System (ADS)

Chai, Linjiang; Wang, Tingting; Ren, Yi; Song, Bo; Guo, Ning; Chen, Liangyu

2018-03-01

In this work, a commercially pure Zr sheet with a typical bimodal basal texture was annealed in an α + β region and then subjected to different coolings (in water and furnace). Microstructures and textures of both the as-received and the heat-treated specimens were investigated by electron channeling contrast imaging and electron backscatter diffraction techniques. Results show that a duplex microstructure consisting of untransformed bulk α grains and twinned martensitic plates is produced in the water-cooled specimen, which possesses a weakened texture compared to the initial one. For the specimen cooled in furnace, however, a uniform microstructure fully comprised of coarser equiaxed grains with a strengthened texture is obtained. Analyses reveal that the rapid cooling in water could suppress variant selection behaviors during β → α transformation and allow α plates with scattered orientations to be nucleated inside β phases, contributing to the weakened texture. In contrast, during slow cooling in furnace, β boundaries would act as preferred nucleation sites of α embryos, resulting in a strong variant selection that accounts for the intensified texture.

Modifying the visual appearance of metal nanoparticle composites by infrared laser annealing

NASA Astrophysics Data System (ADS)

Halabica, Andrej; Indrobo, J. C.; Magruder, R. H., III; Haglund, R. F., Jr.; Epp, J. M.; Rashkeev, S.; Boatner, L. A.; Pennycook, S. J.; Pantelides, S. T.

2007-03-01

It has long been known that noble-metal nanoparticles in insulators can alter their visual appearance. Many metal nanoparticle composites can be created by ion implantation and subsequent annealing to initiate phase separation, nucleation and growth of nanoparticles. The size and size distribution of the nanoparticles - and therefore the color of the composite - are determined by the chemistry and thermodynamics of the annealing process. In this paper we report that we can also alter the color of gold- and silver-implanted silica and alumina by tunable infrared laser irradiation. Essentially a variant of rapid thermal annealing, this laser treatment can shift the plasmon band of the nanoparticles by tens of nm, resulting in significantly altered visual appearance. The amount of energy delivered to the implanted layer, and the subsequent color variation, can be adjusted by changing the wavelength and fluence of the laser. This makes it possible, as we will show, to write or pattern the composite material with 200 μm linewidths. This work is partially supported by DOE (DE-AC05-00OR22725), NSF (DMR-0513048), and by Alcoa Inc.

Deterministic binary vectors for efficient automated indexing of MEDLINE/PubMed abstracts.

PubMed

Wahle, Manuel; Widdows, Dominic; Herskovic, Jorge R; Bernstam, Elmer V; Cohen, Trevor

2012-01-01

The need to maintain accessibility of the biomedical literature has led to development of methods to assist human indexers by recommending index terms for newly encountered articles. Given the rapid expansion of this literature, it is essential that these methods be scalable. Document vector representations are commonly used for automated indexing, and Random Indexing (RI) provides the means to generate them efficiently. However, RI is difficult to implement in real-world indexing systems, as (1) efficient nearest-neighbor search requires retaining all document vectors in RAM, and (2) it is necessary to maintain a store of randomly generated term vectors to index future documents. Motivated by these concerns, this paper documents the development and evaluation of a deterministic binary variant of RI. The increased capacity demonstrated by binary vectors has implications for information retrieval, and the elimination of the need to retain term vectors facilitates distributed implementations, enhancing the scalability of RI.

Deterministic Binary Vectors for Efficient Automated Indexing of MEDLINE/PubMed Abstracts

PubMed Central

Wahle, Manuel; Widdows, Dominic; Herskovic, Jorge R.; Bernstam, Elmer V.; Cohen, Trevor

2012-01-01

The need to maintain accessibility of the biomedical literature has led to development of methods to assist human indexers by recommending index terms for newly encountered articles. Given the rapid expansion of this literature, it is essential that these methods be scalable. Document vector representations are commonly used for automated indexing, and Random Indexing (RI) provides the means to generate them efficiently. However, RI is difficult to implement in real-world indexing systems, as (1) efficient nearest-neighbor search requires retaining all document vectors in RAM, and (2) it is necessary to maintain a store of randomly generated term vectors to index future documents. Motivated by these concerns, this paper documents the development and evaluation of a deterministic binary variant of RI. The increased capacity demonstrated by binary vectors has implications for information retrieval, and the elimination of the need to retain term vectors facilitates distributed implementations, enhancing the scalability of RI. PMID:23304369

Multiplexed enrichment of rare DNA variants via sequence-selective and temperature-robust amplification

PubMed Central

Wu, Lucia R.; Chen, Sherry X.; Wu, Yalei; Patel, Abhijit A.; Zhang, David Yu

2018-01-01

Rare DNA-sequence variants hold important clinical and biological information, but existing detection techniques are expensive, complex, allele-specific, or don’t allow for significant multiplexing. Here, we report a temperature-robust polymerase-chain-reaction method, which we term blocker displacement amplification (BDA), that selectively amplifies all sequence variants, including single-nucleotide variants (SNVs), within a roughly 20-nucleotide window by 1,000-fold over wild-type sequences. This allows for easy detection and quantitation of hundreds of potential variants originally at ≤0.1% in allele frequency. BDA is compatible with inexpensive thermocycler instrumentation and employs a rationally designed competitive hybridization reaction to achieve comparable enrichment performance across annealing temperatures ranging from 56 °C to 64 °C. To show the sequence generality of BDA, we demonstrate enrichment of 156 SNVs and the reliable detection of single-digit copies. We also show that the BDA detection of rare driver mutations in cell-free DNA samples extracted from the blood plasma of lung-cancer patients is highly consistent with deep sequencing using molecular lineage tags, with a receiver operator characteristic accuracy of 95%. PMID:29805844

Induced anisotropy in FeCo-based nanocomposites: Early transition metal content dependence

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

Shen, S; DeGeorge, V; Ohodnicki, PR

2014-05-07

Soft magnetic nanocomposites variants of FeCo-based (HTX002) alloys (Fe65Co35)(81+x)B12Nb4-xSi2Cu1, exhibiting high inductions (up to 1.9 T), low losses, and high temperature stability are studied for high frequency inductors and current sensors. For alloys with x 0, 1, 1.5, 2, and 3, we report field induced anisotropy, K-U, after annealing at temperatures of 340-450 degrees C for 1 h in a 2 T transverse magnetic field. The anisotropy field, H-K, measured by AC permeametry on toroidal cores, and by first order reversal curves on square sections of ribbon, decreases with annealing temperature and saturates at high annealing temperatures suggesting a nanostructuremore » related anisotropy mechanism in which the amorphous phase exhibits a higher H-K than the crystalline phase. A high saturation induction nanocrystalline phase and high H-K amorphous phase were achieved by low temperature annealing resulting in a value of K-U exceeding 14 X 10(3) erg/cm(3), more than twice that reported previously for Fe-rich amorphous and nanocomposite alloys. (C) 2014 AIP Publishing LLC.« less

Stochastic and Deterministic Crystal Structure Solution Methods in GSAS-II: Monte Carlo/Simulated Annealing Versus Charge Flipping

DOE PAGES

Von Dreele, Robert

2017-08-29

One of the goals in developing GSAS-II was to expand from the capabilities of the original General Structure Analysis System (GSAS) which largely encompassed just structure refinement and post refinement analysis. GSAS-II has been written almost entirely in Python loaded with graphics, GUI and mathematical packages (matplotlib, pyOpenGL, wxpython, numpy and scipy). Thus, GSAS-II has a fully developed modern GUI as well as extensive graphical display of data and results. However, the structure and operation of Python has required new approaches to many of the algorithms used in crystal structure analysis. The extensions beyond GSAS include image calibration/integration as wellmore » as peak fitting and unit cell indexing for powder data which are precursors for structure solution. Structure solution within GSAS-II begins with either Pawley or LeBail extracted structure factors from powder data or those measured in a single crystal experiment. Both charge flipping and Monte Carlo-Simulated Annealing techniques are available; the former can be applied to (3+1) incommensurate structures as well as conventional 3D structures.« less

Stochastic Evolutionary Algorithms for Planning Robot Paths

NASA Technical Reports Server (NTRS)

Fink, Wolfgang; Aghazarian, Hrand; Huntsberger, Terrance; Terrile, Richard

2006-01-01

A computer program implements stochastic evolutionary algorithms for planning and optimizing collision-free paths for robots and their jointed limbs. Stochastic evolutionary algorithms can be made to produce acceptably close approximations to exact, optimal solutions for path-planning problems while often demanding much less computation than do exhaustive-search and deterministic inverse-kinematics algorithms that have been used previously for this purpose. Hence, the present software is better suited for application aboard robots having limited computing capabilities (see figure). The stochastic aspect lies in the use of simulated annealing to (1) prevent trapping of an optimization algorithm in local minima of an energy-like error measure by which the fitness of a trial solution is evaluated while (2) ensuring that the entire multidimensional configuration and parameter space of the path-planning problem is sampled efficiently with respect to both robot joint angles and computation time. Simulated annealing is an established technique for avoiding local minima in multidimensional optimization problems, but has not, until now, been applied to planning collision-free robot paths by use of low-power computers.

Critical Review of the Generalised Frost-Dugdale Approach to Crack Growth in F/A-18 Hornet Structural Materials

DTIC Science & Technology

2010-03-01

cracking in both 7050 series aluminium alloys and Mil Annealed Ti-6Al-4V conforms to the Generalised Frost-Dugdale model. The report recommends... ALUMINIUM ALLOYS ............................................. 14 5.1 Application of the equivalent block variant to represent crack growth in 7050 series... aluminium alloys ................................................................................ 20 6. DETERMINING THE CONSTANTS IN THE GENERALISED

A Comparison of Monte Carlo and Deterministic Solvers for keff and Sensitivity Calculations

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

Haeck, Wim; Parsons, Donald Kent; White, Morgan Curtis

Verification and validation of our solutions for calculating the neutron reactivity for nuclear materials is a key issue to address for many applications, including criticality safety, research reactors, power reactors, and nuclear security. Neutronics codes solve variations of the Boltzmann transport equation. The two main variants are Monte Carlo versus deterministic solutions, e.g. the MCNP [1] versus PARTISN [2] codes, respectively. There have been many studies over the decades that examined the accuracy of such solvers and the general conclusion is that when the problems are well-posed, either solver can produce accurate results. However, the devil is always in themore » details. The current study examines the issue of self-shielding and the stress it puts on deterministic solvers. Most Monte Carlo neutronics codes use continuous-energy descriptions of the neutron interaction data that are not subject to this effect. The issue of self-shielding occurs because of the discretisation of data used by the deterministic solutions. Multigroup data used in these solvers are the average cross section and scattering parameters over an energy range. Resonances in cross sections can occur that change the likelihood of interaction by one to three orders of magnitude over a small energy range. Self-shielding is the numerical effect that the average cross section in groups with strong resonances can be strongly affected as neutrons within that material are preferentially absorbed or scattered out of the resonance energies. This affects both the average cross section and the scattering matrix.« less

Influence of injected interstitials on the void swelling in two structural variants of 304L stainless steel induced by self-ion irradiation at 500 °C

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

Sun, C.; Garner, F. A.; Shao, L.

The two variants of AISI 304L stainless steel (SS) with different grain size distributions were ion irradiated at 500 °C to a peak dose of ~60 dpa. In the coarse-grained annealed variant, a peak swelling of ~12% was observed closer to the specimen surface rather than at the depth of peak displacement damage. The forward shift in depth between peak swelling and peak dose is proposed to be a consequence of suppression of void nucleation by injected interstitials. The swelling behavior in the front portion of the ion range mirrors that of neutron-induced swelling in this steel, exhibiting significant curvaturemore » with increasing dose as the swelling rate approaches the terminal swelling rate of 1%/dpa. Furthermore, an ultrafine grain variant of this steel produced by severely plastic deformation exhibits a similar suppression of void nucleation in the injected interstitial region, but also shows a significantly extended transient regime, not reaching the terminal swelling rate by 60 dpa.« less

Influence of injected interstitials on the void swelling in two structural variants of 304L stainless steel induced by self-ion irradiation at 500 °C

DOE PAGES

Sun, C.; Garner, F. A.; Shao, L.; ...

2017-03-28

The two variants of AISI 304L stainless steel (SS) with different grain size distributions were ion irradiated at 500 °C to a peak dose of ~60 dpa. In the coarse-grained annealed variant, a peak swelling of ~12% was observed closer to the specimen surface rather than at the depth of peak displacement damage. The forward shift in depth between peak swelling and peak dose is proposed to be a consequence of suppression of void nucleation by injected interstitials. The swelling behavior in the front portion of the ion range mirrors that of neutron-induced swelling in this steel, exhibiting significant curvaturemore » with increasing dose as the swelling rate approaches the terminal swelling rate of 1%/dpa. Furthermore, an ultrafine grain variant of this steel produced by severely plastic deformation exhibits a similar suppression of void nucleation in the injected interstitial region, but also shows a significantly extended transient regime, not reaching the terminal swelling rate by 60 dpa.« less

On factoring RSA modulus using random-restart hill-climbing algorithm and Pollard’s rho algorithm

NASA Astrophysics Data System (ADS)

Budiman, M. A.; Rachmawati, D.

2017-12-01

The security of the widely-used RSA public key cryptography algorithm depends on the difficulty of factoring a big integer into two large prime numbers. For many years, the integer factorization problem has been intensively and extensively studied in the field of number theory. As a result, a lot of deterministic algorithms such as Euler’s algorithm, Kraitchik’s, and variants of Pollard’s algorithms have been researched comprehensively. Our study takes a rather uncommon approach: rather than making use of intensive number theories, we attempt to factorize RSA modulus n by using random-restart hill-climbing algorithm, which belongs the class of metaheuristic algorithms. The factorization time of RSA moduli with different lengths is recorded and compared with the factorization time of Pollard’s rho algorithm, which is a deterministic algorithm. Our experimental results indicates that while random-restart hill-climbing algorithm is an acceptable candidate to factorize smaller RSA moduli, the factorization speed is much slower than that of Pollard’s rho algorithm.

Picosecond-resolved FRET on non-amplified DNA for identifying individuals genetically susceptible to type-1 diabetes

NASA Astrophysics Data System (ADS)

Nardo, Luca; Tosi, Giovanna; Bondani, Maria; Accolla, Roberto; Andreoni, Alessandra

2012-06-01

By tens-of-picosecond resolved fluorescence detection we study Förster resonance energy transfer between a donor and a black-hole-quencher bound at the 5'- and 3'-positions of an oligonucleotide probe matching the highly polymorphic region between codons 51 and 58 of the human leukocyte antigen DQB1 0201 allele, conferring susceptibility to type-1 diabetes. The probe is annealed with non-amplified genomic DNAs carrying either the 0201 sequence or other DQB1 allelic variants. We detect the longest-lived donor fluorescence in the case of hybridization with the 0201 allele and definitely faster and distinct decays for the other allelic variants, some of which are single-nucleotide polymorphic.

Chaotic map clustering algorithm for EEG analysis

NASA Astrophysics Data System (ADS)

Bellotti, R.; De Carlo, F.; Stramaglia, S.

2004-03-01

The non-parametric chaotic map clustering algorithm has been applied to the analysis of electroencephalographic signals, in order to recognize the Huntington's disease, one of the most dangerous pathologies of the central nervous system. The performance of the method has been compared with those obtained through parametric algorithms, as K-means and deterministic annealing, and supervised multi-layer perceptron. While supervised neural networks need a training phase, performed by means of data tagged by the genetic test, and the parametric methods require a prior choice of the number of classes to find, the chaotic map clustering gives a natural evidence of the pathological class, without any training or supervision, thus providing a new efficient methodology for the recognition of patterns affected by the Huntington's disease.

An Application of Evolutionary Game Theory to Social Dilemmas: The Traveler's Dilemma and the Minimum Effort Coordination Game

PubMed Central

Iyer, Swami; Reyes, Joshua; Killingback, Timothy

2014-01-01

The Traveler's Dilemma game and the Minimum Effort Coordination game are two social dilemmas that have attracted considerable attention due to the fact that the predictions of classical game theory are at odds with the results found when the games are studied experimentally. Moreover, a direct application of deterministic evolutionary game theory, as embodied in the replicator dynamics, to these games does not explain the observed behavior. In this work, we formulate natural variants of these two games as smoothed continuous-strategy games. We study the evolutionary dynamics of these continuous-strategy games, both analytically and through agent-based simulations, and show that the behavior predicted theoretically is in accord with that observed experimentally. Thus, these variants of the Traveler's Dilemma and the Minimum Effort Coordination games provide a simple resolution of the paradoxical behavior associated with the original games. PMID:24709851

An application of evolutionary game theory to social dilemmas: the traveler's dilemma and the minimum effort coordination game.

PubMed

Iyer, Swami; Reyes, Joshua; Killingback, Timothy

2014-01-01

The Traveler's Dilemma game and the Minimum Effort Coordination game are two social dilemmas that have attracted considerable attention due to the fact that the predictions of classical game theory are at odds with the results found when the games are studied experimentally. Moreover, a direct application of deterministic evolutionary game theory, as embodied in the replicator dynamics, to these games does not explain the observed behavior. In this work, we formulate natural variants of these two games as smoothed continuous-strategy games. We study the evolutionary dynamics of these continuous-strategy games, both analytically and through agent-based simulations, and show that the behavior predicted theoretically is in accord with that observed experimentally. Thus, these variants of the Traveler's Dilemma and the Minimum Effort Coordination games provide a simple resolution of the paradoxical behavior associated with the original games.

Growth of L1{sub 0}-ordered crystal in FePt and FePd thin films on MgO(001) substrate

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

Futamoto, Masaaki, E-mail: futamoto@elect.chuo-u.ac.jp; Nakamura, Masahiro; Ohtake, Mitsuru

2016-08-15

Formation of L1{sub 0}-oredered structure from disordered A1 phase has been investigated for FePt and FePd films on MgO(001) substrates employing a two-step method consisting of low temperature deposition at 200 °C followed by high-temperature annealing at 600 °C. L1{sub 0}-(001) variant crystal with the c-axis perpendicular to the substrate grows preferentially in FePd films whereas L1{sub 0}-(100), (010) variants tend to be mixed with the L1{sub 0}-(001) variant in FePt films. The structure analysis by X-ray diffraction indicates that a difference in A1 lattice strain is the influential factor that determines the resulting L1{sub 0}-variant structure in ordered thinmore » films. Misfit dislocations and anti-phase boundaries are observed in high-resolution transmission electron micrographs of 10 nm-thick Fe(Pt, Pd) film consisting of L1{sub 0}-(001) variants which are formed through atomic diffusion at 600 °C in a laterally strained FePt/PeFd epitaxial thin film. Based on the experimental results, a nucleation and growth model for explaining L1{sub 0}-variant formation is proposed, which suggests a possibility in tailoring the L1{sub 0} variant structure in ordered magnetic thin films by controlling the alloy composition, the layer structure, and the substrate material.« less

A machine learning model to determine the accuracy of variant calls in capture-based next generation sequencing.

PubMed

van den Akker, Jeroen; Mishne, Gilad; Zimmer, Anjali D; Zhou, Alicia Y

2018-04-17

Next generation sequencing (NGS) has become a common technology for clinical genetic tests. The quality of NGS calls varies widely and is influenced by features like reference sequence characteristics, read depth, and mapping accuracy. With recent advances in NGS technology and software tools, the majority of variants called using NGS alone are in fact accurate and reliable. However, a small subset of difficult-to-call variants that still do require orthogonal confirmation exist. For this reason, many clinical laboratories confirm NGS results using orthogonal technologies such as Sanger sequencing. Here, we report the development of a deterministic machine-learning-based model to differentiate between these two types of variant calls: those that do not require confirmation using an orthogonal technology (high confidence), and those that require additional quality testing (low confidence). This approach allows reliable NGS-based calling in a clinical setting by identifying the few important variant calls that require orthogonal confirmation. We developed and tested the model using a set of 7179 variants identified by a targeted NGS panel and re-tested by Sanger sequencing. The model incorporated several signals of sequence characteristics and call quality to determine if a variant was identified at high or low confidence. The model was tuned to eliminate false positives, defined as variants that were called by NGS but not confirmed by Sanger sequencing. The model achieved very high accuracy: 99.4% (95% confidence interval: +/- 0.03%). It categorized 92.2% (6622/7179) of the variants as high confidence, and 100% of these were confirmed to be present by Sanger sequencing. Among the variants that were categorized as low confidence, defined as NGS calls of low quality that are likely to be artifacts, 92.1% (513/557) were found to be not present by Sanger sequencing. This work shows that NGS data contains sufficient characteristics for a machine-learning-based model to differentiate low from high confidence variants. Additionally, it reveals the importance of incorporating site-specific features as well as variant call features in such a model.

Extended Range Prediction of Indian Summer Monsoon: Current status

NASA Astrophysics Data System (ADS)

Sahai, A. K.; Abhilash, S.; Borah, N.; Joseph, S.; Chattopadhyay, R.; S, S.; Rajeevan, M.; Mandal, R.; Dey, A.

2014-12-01

The main focus of this study is to develop forecast consensus in the extended range prediction (ERP) of monsoon Intraseasonal oscillations using a suit of different variants of Climate Forecast system (CFS) model. In this CFS based Grand MME prediction system (CGMME), the ensemble members are generated by perturbing the initial condition and using different configurations of CFSv2. This is to address the role of different physical mechanisms known to have control on the error growth in the ERP in the 15-20 day time scale. The final formulation of CGMME is based on 21 ensembles of the standalone Global Forecast System (GFS) forced with bias corrected forecasted SST from CFS, 11 low resolution CFST126 and 11 high resolution CFST382. Thus, we develop the multi-model consensus forecast for the ERP of Indian summer monsoon (ISM) using a suite of different variants of CFS model. This coordinated international effort lead towards the development of specific tailor made regional forecast products over Indian region. Skill of deterministic and probabilistic categorical rainfall forecast as well the verification of large-scale low frequency monsoon intraseasonal oscillations has been carried out using hindcast from 2001-2012 during the monsoon season in which all models are initialized at every five days starting from 16May to 28 September. The skill of deterministic forecast from CGMME is better than the best participating single model ensemble configuration (SME). The CGMME approach is believed to quantify the uncertainty in both initial conditions and model formulation. Main improvement is attained in probabilistic forecast which is because of an increase in the ensemble spread, thereby reducing the error due to over-confident ensembles in a single model configuration. For probabilistic forecast, three tercile ranges are determined by ranking method based on the percentage of ensemble members from all the participating models falls in those three categories. CGMME further added value to both deterministic and probability forecast compared to raw SME's and this better skill is probably flows from large spread and improved spread-error relationship. CGMME system is currently capable of generating ER prediction in real time and successfully delivering its experimental operational ER forecast of ISM for the last few years.

Diff-seq: A high throughput sequencing-based mismatch detection assay for DNA variant enrichment and discovery

PubMed Central

Karas, Vlad O; Sinnott-Armstrong, Nicholas A; Varghese, Vici; Shafer, Robert W; Greenleaf, William J; Sherlock, Gavin

2018-01-01

Abstract Much of the within species genetic variation is in the form of single nucleotide polymorphisms (SNPs), typically detected by whole genome sequencing (WGS) or microarray-based technologies. However, WGS produces mostly uninformative reads that perfectly match the reference, while microarrays require genome-specific reagents. We have developed Diff-seq, a sequencing-based mismatch detection assay for SNP discovery without the requirement for specialized nucleic-acid reagents. Diff-seq leverages the Surveyor endonuclease to cleave mismatched DNA molecules that are generated after cross-annealing of a complex pool of DNA fragments. Sequencing libraries enriched for Surveyor-cleaved molecules result in increased coverage at the variant sites. Diff-seq detected all mismatches present in an initial test substrate, with specific enrichment dependent on the identity and context of the variation. Application to viral sequences resulted in increased observation of variant alleles in a biologically relevant context. Diff-Seq has the potential to increase the sensitivity and efficiency of high-throughput sequencing in the detection of variation. PMID:29361139

Toward Deterministic Implantation of Nitrogen Vacancy Centers in Bulk Diamond Crystals

NASA Astrophysics Data System (ADS)

Brundage, T. O.; Atkins, Z.; Sangtawesin, S.; Petta, J. R.

2014-03-01

Over the last decade, research investigating the room temperature stability, coherence, and optical manipulation of spin states of the nitrogen vacancy (NV) center in diamond has made it a strong candidate for applications in magnetometry and quantum information processing. As research progresses and we begin to investigate the dynamics and scalability of multiple NV systems, the ability to place NV centers deterministically in the host material with high accuracy is critical. Here we implement a simple fabrication method for NV implantation. We expose and develop small dots in PMMA using an electron-beam lithography tool. Unexposed PMMA serves as a mask for 20 keV nitrogen-15 implantation. The implanted sample is then cleaned in a boiling mixture of nitric, sulfuric, and perchloric acid. Annealing at 850° for 2 hours allows vacancies to diffuse next to implanted nitrogen atoms, forming NV centers with an efficiency of a few percent. SRIM simulations provide nitrogen ion distribution within our diamond substrate and PMMA mask as functions of implantation energy. Thus, after balancing implantation parameters and exposure hole cross-sections, NV center placement can be achieved with accuracy limited by the precision of available electron-beam lithography equipment. Supported by the Sloan and Packard Foundations, the Army Research Office, and the National Science Foundation.

Accelerating the Gillespie Exact Stochastic Simulation Algorithm using hybrid parallel execution on graphics processing units.

PubMed

Komarov, Ivan; D'Souza, Roshan M

2012-01-01

The Gillespie Stochastic Simulation Algorithm (GSSA) and its variants are cornerstone techniques to simulate reaction kinetics in situations where the concentration of the reactant is too low to allow deterministic techniques such as differential equations. The inherent limitations of the GSSA include the time required for executing a single run and the need for multiple runs for parameter sweep exercises due to the stochastic nature of the simulation. Even very efficient variants of GSSA are prohibitively expensive to compute and perform parameter sweeps. Here we present a novel variant of the exact GSSA that is amenable to acceleration by using graphics processing units (GPUs). We parallelize the execution of a single realization across threads in a warp (fine-grained parallelism). A warp is a collection of threads that are executed synchronously on a single multi-processor. Warps executing in parallel on different multi-processors (coarse-grained parallelism) simultaneously generate multiple trajectories. Novel data-structures and algorithms reduce memory traffic, which is the bottleneck in computing the GSSA. Our benchmarks show an 8×-120× performance gain over various state-of-the-art serial algorithms when simulating different types of models.

Damage and annealing recovery of boron-implanted ultra-shallow junction: The correlation between beam current and surface configuration

NASA Astrophysics Data System (ADS)

Chang, Feng-Ming; Wu, Zong-Zhe; Lin, Yen-Fu; Kao, Li-Chi; Wu, Cheng-Ta; JangJian, Shiu-Ko; Chen, Yuan-Nian; Lo, Kuang Yao

2018-03-01

The condition of the beam current in the implantation process is a key issue in the damage rate and structural evolution in the sequent annealing process, especially for ultra-shallow layers. In this work, we develop a compensative optical method combined with UV Raman, X-ray photoelectron spectroscopy (XPS), and X-ray absorption near edge spectroscopy (XANES) to inspect the influence of the beam current in the implantation process. The optima condition of the beam current in the implantation process is determined by higher effective Si-B bond portion in UV Raman spectra and less the peak of B-B bond in XPS spectra which is caused by B cluster defects. Results of XANES indicate that the B oxide layer is formed on the surface of the ultra-shallow junction. The defects in the ultra-shallow junction after annealing are analyzed by novel optical analyses, which cannot be inspected by a traditional thermal wave and resistance measurement. This work exhibits the structural variation of the ultra-shallow junction via a variant beam current and provides a valuable metrology in examining the chemical states and the effective activation in the implantation technology.

A hybrid CS-SA intelligent approach to solve uncertain dynamic facility layout problems considering dependency of demands

NASA Astrophysics Data System (ADS)

Moslemipour, Ghorbanali

2018-07-01

This paper aims at proposing a quadratic assignment-based mathematical model to deal with the stochastic dynamic facility layout problem. In this problem, product demands are assumed to be dependent normally distributed random variables with known probability density function and covariance that change from period to period at random. To solve the proposed model, a novel hybrid intelligent algorithm is proposed by combining the simulated annealing and clonal selection algorithms. The proposed model and the hybrid algorithm are verified and validated using design of experiment and benchmark methods. The results show that the hybrid algorithm has an outstanding performance from both solution quality and computational time points of view. Besides, the proposed model can be used in both of the stochastic and deterministic situations.

A soft computing-based approach to optimise queuing-inventory control problem

NASA Astrophysics Data System (ADS)

Alaghebandha, Mohammad; Hajipour, Vahid

2015-04-01

In this paper, a multi-product continuous review inventory control problem within batch arrival queuing approach (MQr/M/1) is developed to find the optimal quantities of maximum inventory. The objective function is to minimise summation of ordering, holding and shortage costs under warehouse space, service level and expected lost-sales shortage cost constraints from retailer and warehouse viewpoints. Since the proposed model is Non-deterministic Polynomial-time hard, an efficient imperialist competitive algorithm (ICA) is proposed to solve the model. To justify proposed ICA, both ganetic algorithm and simulated annealing algorithm are utilised. In order to determine the best value of algorithm parameters that result in a better solution, a fine-tuning procedure is executed. Finally, the performance of the proposed ICA is analysed using some numerical illustrations.

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.

Phase Transformation Behavior of Medium Manganese Steels with 3 Wt Pct Aluminum and 3 Wt Pct Silicon During Intercritical Annealing

NASA Astrophysics Data System (ADS)

Sun, Binhan; Fazeli, Fateh; Scott, Colin; Yue, Stephen

2016-10-01

Medium manganese steels alloyed with sufficient aluminum and silicon amounts contain high fractions of retained austenite adjustable to various transformation-induced plasticity/twinning-induced plasticity effects, in addition to a reduced density suitable for lightweight vehicle body-in-white assemblies. Two hot rolled medium manganese steels containing 3 wt pct aluminum and 3 wt pct silicon were subjected to different annealing treatments in the present study. The evolution of the microstructure in terms of austenite transformation upon reheating and the subsequent austenite decomposition during quenching was investigated. Manganese content of the steels prevailed the microstructural response. The microstructure of the leaner alloy with 7 wt pct Mn (7Mn) was substantially influenced by the annealing temperature, including the variation of phase constituents, the morphology and composition of intercritical austenite, the Ms temperature and the retained austenite fraction. In contrast, the richer variant 10 wt pct Mn steel (10Mn) exhibited a substantially stable ferrite-austenite duplex phase microstructure containing a fixed amount of retained austenite which was found to be independent of the variations of intercritical annealing temperature. Austenite formation from hot band ferrite-pearlite/bainite mixtures was very rapid during annealing at 1273 K (1000 °C), regardless of Mn contents. Austenite growth was believed to be controlled at early stages by carbon diffusion following pearlite/bainite dissolution. The redistribution of Mn in ferrite and particularly in austenite at later stages was too subtle to result in a measureable change in austenite fraction. Further, the hot band microstructure of both steels contained a large fraction of coarse-grained δ-ferrite, which remained almost unchanged during intercritical annealing. A recently developed thermodynamic database was evaluated using the experimental data. The new database achieved a better agreement with the experimental results for the 7Mn steel compared with the existing commercial TCFE database; however, some discrepancy in the predicted phase fractions and compositions still existed. The phase transformation behavior of the two steels during annealing and its implication on the design of high aluminum-silicon medium manganese steels were discussed in detail.

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.

Haplotype Phasing and Inheritance of Copy Number Variants in Nuclear Families

PubMed Central

Palta, Priit; Kaplinski, Lauris; Nagirnaja, Liina; Veidenberg, Andres; Möls, Märt; Nelis, Mari; Esko, Tõnu; Metspalu, Andres; Laan, Maris; Remm, Maido

2015-01-01

DNA copy number variants (CNVs) that alter the copy number of a particular DNA segment in the genome play an important role in human phenotypic variability and disease susceptibility. A number of CNVs overlapping with genes have been shown to confer risk to a variety of human diseases thus highlighting the relevance of addressing the variability of CNVs at a higher resolution. So far, it has not been possible to deterministically infer the allelic composition of different haplotypes present within the CNV regions. We have developed a novel computational method, called PiCNV, which enables to resolve the haplotype sequence composition within CNV regions in nuclear families based on SNP genotyping microarray data. The algorithm allows to i) phase normal and CNV-carrying haplotypes in the copy number variable regions, ii) resolve the allelic copies of rearranged DNA sequence within the haplotypes and iii) infer the heritability of identified haplotypes in trios or larger nuclear families. To our knowledge this is the first program available that can deterministically phase null, mono-, di-, tri- and tetraploid genotypes in CNV loci. We applied our method to study the composition and inheritance of haplotypes in CNV regions of 30 HapMap Yoruban trios and 34 Estonian families. For 93.6% of the CNV loci, PiCNV enabled to unambiguously phase normal and CNV-carrying haplotypes and follow their transmission in the corresponding families. Furthermore, allelic composition analysis identified the co-occurrence of alternative allelic copies within 66.7% of haplotypes carrying copy number gains. We also observed less frequent transmission of CNV-carrying haplotypes from parents to children compared to normal haplotypes and identified an emergence of several de novo deletions and duplications in the offspring. PMID:25853576

Haplotype phasing and inheritance of copy number variants in nuclear families.

PubMed

Palta, Priit; Kaplinski, Lauris; Nagirnaja, Liina; Veidenberg, Andres; Möls, Märt; Nelis, Mari; Esko, Tõnu; Metspalu, Andres; Laan, Maris; Remm, Maido

2015-01-01

DNA copy number variants (CNVs) that alter the copy number of a particular DNA segment in the genome play an important role in human phenotypic variability and disease susceptibility. A number of CNVs overlapping with genes have been shown to confer risk to a variety of human diseases thus highlighting the relevance of addressing the variability of CNVs at a higher resolution. So far, it has not been possible to deterministically infer the allelic composition of different haplotypes present within the CNV regions. We have developed a novel computational method, called PiCNV, which enables to resolve the haplotype sequence composition within CNV regions in nuclear families based on SNP genotyping microarray data. The algorithm allows to i) phase normal and CNV-carrying haplotypes in the copy number variable regions, ii) resolve the allelic copies of rearranged DNA sequence within the haplotypes and iii) infer the heritability of identified haplotypes in trios or larger nuclear families. To our knowledge this is the first program available that can deterministically phase null, mono-, di-, tri- and tetraploid genotypes in CNV loci. We applied our method to study the composition and inheritance of haplotypes in CNV regions of 30 HapMap Yoruban trios and 34 Estonian families. For 93.6% of the CNV loci, PiCNV enabled to unambiguously phase normal and CNV-carrying haplotypes and follow their transmission in the corresponding families. Furthermore, allelic composition analysis identified the co-occurrence of alternative allelic copies within 66.7% of haplotypes carrying copy number gains. We also observed less frequent transmission of CNV-carrying haplotypes from parents to children compared to normal haplotypes and identified an emergence of several de novo deletions and duplications in the offspring.

Characterization of the interplay between DNA repair and CRISPR/Cas9-induced DNA lesions at an endogenous locus

PubMed Central

Bothmer, Anne; Phadke, Tanushree; Barrera, Luis A.; Margulies, Carrie M; Lee, Christina S.; Buquicchio, Frank; Moss, Sean; Abdulkerim, Hayat S.; Selleck, William; Jayaram, Hariharan; Myer, Vic E.; Cotta-Ramusino, Cecilia

2017-01-01

The CRISPR–Cas9 system provides a versatile toolkit for genome engineering that can introduce various DNA lesions at specific genomic locations. However, a better understanding of the nature of these lesions and the repair pathways engaged is critical to realizing the full potential of this technology. Here we characterize the different lesions arising from each Cas9 variant and the resulting repair pathway engagement. We demonstrate that the presence and polarity of the overhang structure is a critical determinant of double-strand break repair pathway choice. Similarly, single nicks deriving from different Cas9 variants differentially activate repair: D10A but not N863A-induced nicks are repaired by homologous recombination. Finally, we demonstrate that homologous recombination is required for repairing lesions using double-stranded, but not single-stranded DNA as a template. This detailed characterization of repair pathway choice in response to CRISPR–Cas9 enables a more deterministic approach for designing research and therapeutic genome engineering strategies. PMID:28067217

Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Aji, L. B. Bayu; Shao, L.; Kucheyev, S. O.

2018-05-01

The formation of stable radiation damage in solids often proceeds via complex dynamic annealing (DA) processes, involving point defect migration and interaction. The dependence of DA on irradiation conditions remains poorly understood even for Si. Here, we use a pulsed ion beam method to study defect interaction dynamics in Si bombarded in the temperature range from ˜-30 ° C to 210 °C with ions in a wide range of masses, from Ne to Xe, creating collision cascades with different densities. We demonstrate that the complexity of the influence of irradiation conditions on defect dynamics can be reduced to a deterministic effect of a single parameter, the average cascade density, calculated by taking into account the fractal nature of collision cascades. For each ion species, the DA rate exhibits two well-defined Arrhenius regions where different DA mechanisms dominate. These two regions intersect at a critical temperature, which depends linearly on the cascade density. The low-temperature DA regime is characterized by an activation energy of ˜0.1 eV , independent of the cascade density. The high-temperature regime, however, exhibits a change in the dominant DA process for cascade densities above ˜0.04 at.%, evidenced by an increase in the activation energy. These results clearly demonstrate a crucial role of the collision cascade density and can be used to predict radiation defect dynamics in Si.

Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si.

PubMed

Wallace, J B; Aji, L B Bayu; Shao, L; Kucheyev, S O

2018-05-25

The formation of stable radiation damage in solids often proceeds via complex dynamic annealing (DA) processes, involving point defect migration and interaction. The dependence of DA on irradiation conditions remains poorly understood even for Si. Here, we use a pulsed ion beam method to study defect interaction dynamics in Si bombarded in the temperature range from ∼-30 °C to 210 °C with ions in a wide range of masses, from Ne to Xe, creating collision cascades with different densities. We demonstrate that the complexity of the influence of irradiation conditions on defect dynamics can be reduced to a deterministic effect of a single parameter, the average cascade density, calculated by taking into account the fractal nature of collision cascades. For each ion species, the DA rate exhibits two well-defined Arrhenius regions where different DA mechanisms dominate. These two regions intersect at a critical temperature, which depends linearly on the cascade density. The low-temperature DA regime is characterized by an activation energy of ∼0.1  eV, independent of the cascade density. The high-temperature regime, however, exhibits a change in the dominant DA process for cascade densities above ∼0.04 at.%, evidenced by an increase in the activation energy. These results clearly demonstrate a crucial role of the collision cascade density and can be used to predict radiation defect dynamics in Si.

Scanning tuneeling microscopy studies of fivefold surfaces of icosahedral Al-Pd-Mn quasicrystals and of thin silver films on those surfaces

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

Unal, Baris

2008-01-01

The present work in this dissertation mainly focuses on the clean fivefold surfaces of i-Al-Pd-Mn quasicrystals as well as the nucleation and growth of Ag films on these surfaces. In addition, Ag film growth on NiAl(110) has been explored in the frame of this dissertation. First, we have investigated the equilibration of a fivefold surface of icosahedral Al-Pd-Mn quasicrystal at 900-915 K and 925-950 K, using Omicron variable temperature scanning tunneling microscope (STM). Annealing at low temperatures resulted in many voids on some terraces while the others were almost void-free. After annealing at 925-950K, void-rich terraces became much rarer. Ourmore » STM images suggest that through growth and coalescence of the voids, a different termination becomes exposed on host terraces. All of these observations in our study indicate that even after the quasicrystalline terrace-step structure appears, it evolves with time and temperature. More specifically, based on the STM observations, we conclude that during the annealing a wide range of energetically similar layers nucleate as surface terminations, however, with increasing temperature (and time) this distribution gets narrower via elimination of the metastable void-rich terraces. Next, we have examined the bulk structural models of icosahedral Al-Pd-Mn quasicrystal in terms of the densities, compositions and interplanar spacings for the fivefold planes that might represent physical surface terminations. In our analyses, we mainly have focused on four deterministic models which have no partial or mixed occupancy but we have made some comparisons with an undeterministic model. We have compared the models with each other and also with the available experimental data including STM, LEED-IV, XPD and LEIS. In all deterministic models, there are two different families of layers (a pair of planes), and the nondeterministic model contains similar group of planes. These two families differ in terms of the chemical decoration of their top planes. Hence, we name them as Pd +(with Pd) and Pd-(without Pd). Based on their planer structure and the step height, it can be said that these two families can be viable surface terminations. However, besides the Pd content, these two sets differ in terms of relative densities of their top planes as well as the gap separating the layer from the nearest atomic plane. The experimental data and other arguments lead to the conclusion that the Pd- family is favored over the Pd +. This has an important implication on the interpretation of local motifs seen in the high resolution STM images. In other words, the dark stars are not formed by cut-Bergmans rather they are formed by cut-Mackays.« less

Associative memory in an analog iterated-map neural network

NASA Astrophysics Data System (ADS)

Marcus, C. M.; Waugh, F. R.; Westervelt, R. M.

1990-03-01

The behavior of an analog neural network with parallel dynamics is studied analytically and numerically for two associative-memory learning algorithms, the Hebb rule and the pseudoinverse rule. Phase diagrams in the parameter space of analog gain β and storage ratio α are presented. For both learning rules, the networks have large ``recall'' phases in which retrieval states exist and convergence to a fixed point is guaranteed by a global stability criterion. We also demonstrate numerically that using a reduced analog gain increases the probability of recall starting from a random initial state. This phenomenon is comparable to thermal annealing used to escape local minima but has the advantage of being deterministic, and therefore easily implemented in electronic hardware. Similarities and differences between analog neural networks and networks with two-state neurons at finite temperature are also discussed.

Good match exploration for infrared face recognition

NASA Astrophysics Data System (ADS)

Yang, Changcai; Zhou, Huabing; Sun, Sheng; Liu, Renfeng; Zhao, Ji; Ma, Jiayi

2014-11-01

Establishing good feature correspondence is a critical prerequisite and a challenging task for infrared (IR) face recognition. Recent studies revealed that the scale invariant feature transform (SIFT) descriptor outperforms other local descriptors for feature matching. However, it only uses local appearance information for matching, and hence inevitably leads to a number of false matches. To address this issue, this paper explores global structure information (GSI) among SIFT correspondences, and proposes a new method SIFT-GSI for good match exploration. This is achieved by fitting a smooth mapping function for the underlying correct matches, which involves softassign and deterministic annealing. Quantitative comparisons with state-of-the-art methods on a publicly available IR human face database demonstrate that SIFT-GSI significantly outperforms other methods for feature matching, and hence it is able to improve the reliability of IR face recognition systems.

Natural sequence variants of yeast environmental sensors confer cell-to-cell expression variability

PubMed Central

Fehrmann, Steffen; Bottin-Duplus, Hélène; Leonidou, Andri; Mollereau, Esther; Barthelaix, Audrey; Wei, Wu; Steinmetz, Lars M; Yvert, Gaël

2013-01-01

Living systems may have evolved probabilistic bet hedging strategies that generate cell-to-cell phenotypic diversity in anticipation of environmental catastrophes, as opposed to adaptation via a deterministic response to environmental changes. Evolution of bet hedging assumes that genotypes segregating in natural populations modulate the level of intraclonal diversity, which so far has largely remained hypothetical. Using a fluorescent Pmet17-GFP reporter, we mapped four genetic loci conferring to a wild yeast strain an elevated cell-to-cell variability in the expression of MET17, a gene regulated by the methionine pathway. A frameshift mutation in the Erc1p transmembrane transporter, probably resulting from a release of laboratory strains from negative selection, reduced Pmet17-GFP expression variability. At a second locus, cis-regulatory polymorphisms increased mean expression of the Mup1p methionine permease, causing increased expression variability in trans. These results demonstrate that an expression quantitative trait locus (eQTL) can simultaneously have a deterministic effect in cis and a probabilistic effect in trans. Our observations indicate that the evolution of transmembrane transporter genes can tune intraclonal variation and may therefore be implicated in both reactive and anticipatory strategies of adaptation. PMID:24104478

Experimental methods of post-growth tuning of the excitonic fine structure splitting in semiconductor quantum dots

PubMed Central

2012-01-01

Deterministic sources of polarization entangled photon pairs on demand are considered as important building blocks for quantum communication technology. It has been demonstrated that semiconductor quantum dots (QDs), which exhibit a sufficiently small excitonic fine structure splitting (FSS) can be used as triggered, on-chip sources of polarization entangled photon pairs. As-grown QDs usually do not have the required values of the FSS, making the availability of post-growth tuning techniques highly desired. This article reviews the effect of different post-growth treatments and external fields on the FSS such as thermal annealing, magnetic fields, the optical Stark effect, electric fields, and anisotropic stress. As a consequence of the tuning of the FSS, for some tuning techniques a rotation of the polarization of the emitted light is observed. The joint modification of polarization orientation and FSS can be described by an anticrossing of the bright excitonic states. PMID:22726724

Capturing planar shapes by approximating their outlines

NASA Astrophysics Data System (ADS)

Sarfraz, M.; Riyazuddin, M.; Baig, M. H.

2006-05-01

A non-deterministic evolutionary approach for approximating the outlines of planar shapes has been developed. Non-uniform Rational B-splines (NURBS) have been utilized as an underlying approximation curve scheme. Simulated Annealing heuristic is used as an evolutionary methodology. In addition to independent studies of the optimization of weight and knot parameters of the NURBS, a separate scheme has also been developed for the optimization of weights and knots simultaneously. The optimized NURBS models have been fitted over the contour data of the planar shapes for the ultimate and automatic output. The output results are visually pleasing with respect to the threshold provided by the user. A web-based system has also been developed for the effective and worldwide utilization. The objective of this system is to provide the facility to visualize the output to the whole world through internet by providing the freedom to the user for various desired input parameters setting in the algorithm designed.

Alternative Computational Protocols for Supercharging Protein Surfaces for Reversible Unfolding and Retention of Stability

PubMed Central

Der, Bryan S.; Kluwe, Christien; Miklos, Aleksandr E.; Jacak, Ron; Lyskov, Sergey; Gray, Jeffrey J.; Georgiou, George; Ellington, Andrew D.; Kuhlman, Brian

2013-01-01

Reengineering protein surfaces to exhibit high net charge, referred to as “supercharging”, can improve reversibility of unfolding by preventing aggregation of partially unfolded states. Incorporation of charged side chains should be optimized while considering structural and energetic consequences, as numerous mutations and accumulation of like-charges can also destabilize the native state. A previously demonstrated approach deterministically mutates flexible polar residues (amino acids DERKNQ) with the fewest average neighboring atoms per side chain atom (AvNAPSA). Our approach uses Rosetta-based energy calculations to choose the surface mutations. Both protocols are available for use through the ROSIE web server. The automated Rosetta and AvNAPSA approaches for supercharging choose dissimilar mutations, raising an interesting division in surface charging strategy. Rosetta-supercharged variants of GFP (RscG) ranging from −11 to −61 and +7 to +58 were experimentally tested, and for comparison, we re-tested the previously developed AvNAPSA-supercharged variants of GFP (AscG) with +36 and −30 net charge. Mid-charge variants demonstrated ∼3-fold improvement in refolding with retention of stability. However, as we pushed to higher net charges, expression and soluble yield decreased, indicating that net charge or mutational load may be limiting factors. Interestingly, the two different approaches resulted in GFP variants with similar refolding properties. Our results show that there are multiple sets of residues that can be mutated to successfully supercharge a protein, and combining alternative supercharge protocols with experimental testing can be an effective approach for charge-based improvement to refolding. PMID:23741319

A reliable simultaneous representation of seismic hazard and of ground shaking recurrence

NASA Astrophysics Data System (ADS)

Peresan, A.; Panza, G. F.; Magrin, A.; Vaccari, F.

2015-12-01

Different earthquake hazard maps may be appropriate for different purposes - such as emergency management, insurance and engineering design. Accounting for the lower occurrence rate of larger sporadic earthquakes may allow to formulate cost-effective policies in some specific applications, provided that statistically sound recurrence estimates are used, which is not typically the case of PSHA (Probabilistic Seismic Hazard Assessment). We illustrate the procedure to associate the expected ground motions from Neo-deterministic Seismic Hazard Assessment (NDSHA) to an estimate of their recurrence. Neo-deterministic refers to a scenario-based approach, which allows for the construction of a broad range of earthquake scenarios via full waveforms modeling. From the synthetic seismograms the estimates of peak ground acceleration, velocity and displacement, or any other parameter relevant to seismic engineering, can be extracted. NDSHA, in its standard form, defines the hazard computed from a wide set of scenario earthquakes (including the largest deterministically or historically defined credible earthquake, MCE) and it does not supply the frequency of occurrence of the expected ground shaking. A recent enhanced variant of NDSHA that reliably accounts for recurrence has been developed and it is applied to the Italian territory. The characterization of the frequency-magnitude relation can be performed by any statistically sound method supported by data (e.g. multi-scale seismicity model), so that a recurrence estimate is associated to each of the pertinent sources. In this way a standard NDSHA map of ground shaking is obtained simultaneously with the map of the corresponding recurrences. The introduction of recurrence estimates in NDSHA naturally allows for the generation of ground shaking maps at specified return periods. This permits a straightforward comparison between NDSHA and PSHA maps.

Deterministic quantum teleportation with feed-forward in a solid state system.

PubMed

Steffen, L; Salathe, Y; Oppliger, M; Kurpiers, P; Baur, M; Lang, C; Eichler, C; Puebla-Hellmann, G; Fedorov, A; Wallraff, A

2013-08-15

Engineered macroscopic quantum systems based on superconducting electronic circuits are attractive for experimentally exploring diverse questions in quantum information science. At the current state of the art, quantum bits (qubits) are fabricated, initialized, controlled, read out and coupled to each other in simple circuits. This enables the realization of basic logic gates, the creation of complex entangled states and the demonstration of algorithms or error correction. Using different variants of low-noise parametric amplifiers, dispersive quantum non-demolition single-shot readout of single-qubit states with high fidelity has enabled continuous and discrete feedback control of single qubits. Here we realize full deterministic quantum teleportation with feed-forward in a chip-based superconducting circuit architecture. We use a set of two parametric amplifiers for both joint two-qubit and individual qubit single-shot readout, combined with flexible real-time digital electronics. Our device uses a crossed quantum bus technology that allows us to create complex networks with arbitrary connecting topology in a planar architecture. The deterministic teleportation process succeeds with order unit probability for any input state, as we prepare maximally entangled two-qubit states as a resource and distinguish all Bell states in a single two-qubit measurement with high efficiency and high fidelity. We teleport quantum states between two macroscopic systems separated by 6 mm at a rate of 10(4) s(-1), exceeding other reported implementations. The low transmission loss of superconducting waveguides is likely to enable the range of this and other schemes to be extended to significantly larger distances, enabling tests of non-locality and the realization of elements for quantum communication at microwave frequencies. The demonstrated feed-forward may also find application in error correction schemes.

Quantum walks on the chimera graph and its variants

NASA Astrophysics Data System (ADS)

Sanders, Barry; Sun, Xiangxiang; Xu, Shu; Wu, Jizhou; Zhang, Wei-Wei; Arshed, Nigum

We study quantum walks on the chimera graph, which is an important graph for performing quantum annealing, and we explore the nature of quantum walks on variants of the chimera graph. Features of these quantum walks provide profound insights into the nature of the chimera graph, including effects of greater and lesser connectivity, strong differences between quantum and classical random walks, isotropic spreading and localization only in the quantum case, and random graphs. We analyze finite-size effects due to limited width and length of the graph, and we explore the effect of different boundary conditions such as periodic and reflecting. Effects are explained via spectral analysis and the properties of stationary states, and spectral analysis enables us to characterize asymptotic behavior of the quantum walker in the long-time limit. Supported by China 1000 Talent Plan, National Science Foundation of China, Hefei National Laboratory for Physical Sciences at Microscale Fellowship, and the Chinese Academy of Sciences President's International Fellowship Initiative.

Evolution of rapidly solidified NiAlCu(B) alloy microstructure.

PubMed

Czeppe, Tomasz; Ochin, Patrick

2006-10-01

This study concerned phase transformations observed after rapid solidification and annealing at 500, 700 and 800 degrees C in 56.3 Ni-39.9 Al-3.8 Cu-0.06 B (E1) and 59.8 Ni-36.0 Al-4.3 Cu-0.06 B (E2) alloys (composition in at.%). Injection casting led to a homogeneous structure of very small, one-phase grains (2-4 microm in size). In both alloys, the phase observed at room temperature was martensite of L1(0) structure. The process of the formation of the Ni(5)Al(3) phase by atomic reordering proceeded at 285-394 degrees C in the case of E1 alloy and 450-550 degrees C in the case of E2 alloy. Further decomposition into NiAl (beta) and Ni(3)Al (gamma') phases, the microstructure and crystallography of the phases depended on the path of transformations, proceeding in the investigated case through the transformation of martensite crystallographic variants. This preserved precise crystallographic orientation between the subsequent phases, very stable plate-like morphology and very small beta + gamma' grains after annealing at 800 degrees C.

Quantized orbits in weakly coupled Belousov-Zhabotinsky reactors

NASA Astrophysics Data System (ADS)

Weiss, S.; Deegan, R. D.

2015-06-01

Using numerical and experimental tools, we study the motion of two coupled spiral cores in a light-sensitive variant of the Belousov-Zhabotinsky reaction. Each core resides on a separate two-dimensional domain, and is coupled to the other by light. When both spirals have the same sense of rotation, the cores are attracted to a circular trajectory with a diameter quantized in integer units of the spiral wavelength λ. When the spirals have opposite senses of rotation, the cores are attracted towards different but parallel straight trajectories, separated by an integer multiple of λ/2. We present a model that explains this behavior as the result of a spiral wavefront-core interaction that produces a deterministic displacement of the core and a retardation of its phase.

Compensating for velocity truncation during subaperture polishing by controllable and time-variant tool influence functions.

PubMed

Dong, Zhichao; Cheng, Haobo; Tam, Hon-Yuen

2015-02-10

The velocity-varying regime used in deterministic subaperture polishing employs a time-invariant tool influence function (TIF) to figure localized surface errors by varying the transverse velocities of polishing tools. Desired transverse velocities have to be truncated if they exceed the maximal velocity of computer numerical control (CNC) machines, which induces excessive material removal and reduces figuring efficiency (FE). A time-variant (TV) TIF regime is presented, in which a TIF serves as a variable to compensate for excessive material removal when the transverse velocities are truncated. Compared with other methods, the TV-TIF regime exhibits better performance in terms of convergence rate, FE, and versatility; its operability can also be strengthened by a TIF library. Comparative experiments were conducted on a magnetorheological finishing machine to validate the effectiveness of the TV-TIF regime. Without a TV-TIF, the tool made an unwished dent (depth of 76 nm) at the center because of the velocity truncation problem. Through compensation with a TV-TIF, the dent was completely removed by the second figuring process, and a TV-TIF improved the FE from 0.029 to 0.066  mm(3)/h.

RNA secondary structure prediction using soft computing.

PubMed

Ray, Shubhra Sankar; Pal, Sankar K

2013-01-01

Prediction of RNA structure is invaluable in creating new drugs and understanding genetic diseases. Several deterministic algorithms and soft computing-based techniques have been developed for more than a decade to determine the structure from a known RNA sequence. Soft computing gained importance with the need to get approximate solutions for RNA sequences by considering the issues related with kinetic effects, cotranscriptional folding, and estimation of certain energy parameters. A brief description of some of the soft computing-based techniques, developed for RNA secondary structure prediction, is presented along with their relevance. The basic concepts of RNA and its different structural elements like helix, bulge, hairpin loop, internal loop, and multiloop are described. These are followed by different methodologies, employing genetic algorithms, artificial neural networks, and fuzzy logic. The role of various metaheuristics, like simulated annealing, particle swarm optimization, ant colony optimization, and tabu search is also discussed. A relative comparison among different techniques, in predicting 12 known RNA secondary structures, is presented, as an example. Future challenging issues are then mentioned.

Iodine versus Bromine Functionalization for Bottom-Up Graphene Nanoribbon Growth: Role of Diffusion

DOE PAGES

Bronner, Christopher; Marangoni, Tomas; Rizzo, Daniel J.; ...

2017-08-08

Deterministic bottom-up approaches for synthesizing atomically well-defined graphene nanoribbons (GNRs) largely rely on the surface-catalyzed activation of selected labile bonds in a molecular precursor followed by step-growth polymerization and cyclodehydrogenation. While the majority of successful GNR precursors rely on the homolytic cleavage of thermally labile C–Br bonds, the introduction of weaker C–I bonds provides access to monomers that can be polymerized at significantly lower temperatures, thus helping to increase the flexibility of the GNR synthesis process. Scanning tunneling microscopy imaging of molecular precursors, activated intermediates, and polymers resulting from stepwise thermal annealing of both Br and I substituted precursors formore » chevron GNRs reveals that the polymerization of both precursors proceeds at similar temperatures on Au(111). Finally, this surprising observation is consistent with diffusion-controlled polymerization of the surface-stabilized radical intermediates that emerge from homolytic cleavage of either the C–Br or the C–I bonds.« less

Artificial Bee Colony Optimization of Capping Potentials for Hybrid Quantum Mechanical/Molecular Mechanical Calculations.

PubMed

Schiffmann, Christoph; Sebastiani, Daniel

2011-05-10

We present an algorithmic extension of a numerical optimization scheme for analytic capping potentials for use in mixed quantum-classical (quantum mechanical/molecular mechanical, QM/MM) ab initio calculations. Our goal is to minimize bond-cleavage-induced perturbations in the electronic structure, measured by means of a suitable penalty functional. The optimization algorithm-a variant of the artificial bee colony (ABC) algorithm, which relies on swarm intelligence-couples deterministic (downhill gradient) and stochastic elements to avoid local minimum trapping. The ABC algorithm outperforms the conventional downhill gradient approach, if the penalty hypersurface exhibits wiggles that prevent a straight minimization pathway. We characterize the optimized capping potentials by computing NMR chemical shifts. This approach will increase the accuracy of QM/MM calculations of complex biomolecules.

Moving beyond the cost-loss ratio: economic assessment of streamflow forecasts for a risk-averse decision maker

NASA Astrophysics Data System (ADS)

Matte, Simon; Boucher, Marie-Amélie; Boucher, Vincent; Fortier Filion, Thomas-Charles

2017-06-01

A large effort has been made over the past 10 years to promote the operational use of probabilistic or ensemble streamflow forecasts. Numerous studies have shown that ensemble forecasts are of higher quality than deterministic ones. Many studies also conclude that decisions based on ensemble rather than deterministic forecasts lead to better decisions in the context of flood mitigation. Hence, it is believed that ensemble forecasts possess a greater economic and social value for both decision makers and the general population. However, the vast majority of, if not all, existing hydro-economic studies rely on a cost-loss ratio framework that assumes a risk-neutral decision maker. To overcome this important flaw, this study borrows from economics and evaluates the economic value of early warning flood systems using the well-known Constant Absolute Risk Aversion (CARA) utility function, which explicitly accounts for the level of risk aversion of the decision maker. This new framework allows for the full exploitation of the information related to a forecasts' uncertainty, making it especially suited for the economic assessment of ensemble or probabilistic forecasts. Rather than comparing deterministic and ensemble forecasts, this study focuses on comparing different types of ensemble forecasts. There are multiple ways of assessing and representing forecast uncertainty. Consequently, there exist many different means of building an ensemble forecasting system for future streamflow. One such possibility is to dress deterministic forecasts using the statistics of past error forecasts. Such dressing methods are popular among operational agencies because of their simplicity and intuitiveness. Another approach is the use of ensemble meteorological forecasts for precipitation and temperature, which are then provided as inputs to one or many hydrological model(s). In this study, three concurrent ensemble streamflow forecasting systems are compared: simple statistically dressed deterministic forecasts, forecasts based on meteorological ensembles, and a variant of the latter that also includes an estimation of state variable uncertainty. This comparison takes place for the Montmorency River, a small flood-prone watershed in southern central Quebec, Canada. The assessment of forecasts is performed for lead times of 1 to 5 days, both in terms of forecasts' quality (relative to the corresponding record of observations) and in terms of economic value, using the new proposed framework based on the CARA utility function. It is found that the economic value of a forecast for a risk-averse decision maker is closely linked to the forecast reliability in predicting the upper tail of the streamflow distribution. Hence, post-processing forecasts to avoid over-forecasting could help improve both the quality and the value of forecasts.

Martensitic transformation in as-grown and annealed near-stoichiometric epitaxial Ni2MnGa thin films

NASA Astrophysics Data System (ADS)

Machain, P.; Condó, A. M.; Domenichini, P.; Pozo López, G.; Sirena, M.; Correa, V. F.; Haberkorn, N.

2015-08-01

Magnetic shape memory nanostructures have a great potential in the field of the nanoactuators. The relationship between dimensionality, microstructure and magnetism characterizes the materials performance. Here, we study the martensitic transformation in supported and free-standing epitaxial Ni47Mn24Ga29 films grown by sputtering on (0 0 1) MgO using a stoichiometric Ni2MnGa target. The films have a Curie temperature of ~390 K and a martensitic transition temperature of ~120 K. Similar transition temperatures have been observed in films with thicknesses of 1, 3 and 4 μm. Thicker films (with longer deposition time) present a wider martensitic transformation range that can be associated with small gradients in their chemical concentration due to the high vapour pressure of Mn and Ga. The magnetic anisotropy of the films shows a strong change below the martensitic transformation temperature. No features associated with variant reorientation induced by magnetic field have been observed. Annealed films in the presence of a Ni2MnGa bulk reference change their chemical composition to Ni49Mn26Ga25. The change in the chemical composition increases the martensitic transformation temperature, being closer to the stoichiometric compound, and reduces the transformation hysteresis. In addition, sharper transformations are obtained, which indicate that chemical inhomogeneities and defects are removed. Our results indicate that the properties of Ni-Mn-Ga thin films grown by sputtering can be optimized (fixing the chemical concentration and removing crystalline defects) by the annealing process, which is promising for the development of micromagnetic shape memory devices.

Stochastic Gabor reflectivity and acoustic impedance inversion

NASA Astrophysics Data System (ADS)

Hariri Naghadeh, Diako; Morley, Christopher Keith; Ferguson, Angus John

2018-02-01

To delineate subsurface lithology to estimate petrophysical properties of a reservoir, it is possible to use acoustic impedance (AI) which is the result of seismic inversion. To change amplitude to AI, removal of wavelet effects from the seismic signal in order to get a reflection series, and subsequently transforming those reflections to AI, is vital. To carry out seismic inversion correctly it is important to not assume that the seismic signal is stationary. However, all stationary deconvolution methods are designed following that assumption. To increase temporal resolution and interpretation ability, amplitude compensation and phase correction are inevitable. Those are pitfalls of stationary reflectivity inversion. Although stationary reflectivity inversion methods are trying to estimate reflectivity series, because of incorrect assumptions their estimations will not be correct, but may be useful. Trying to convert those reflection series to AI, also merging with the low frequency initial model, can help us. The aim of this study was to apply non-stationary deconvolution to eliminate time variant wavelet effects from the signal and to convert the estimated reflection series to the absolute AI by getting bias from well logs. To carry out this aim, stochastic Gabor inversion in the time domain was used. The Gabor transform derived the signal’s time-frequency analysis and estimated wavelet properties from different windows. Dealing with different time windows gave an ability to create a time-variant kernel matrix, which was used to remove matrix effects from seismic data. The result was a reflection series that does not follow the stationary assumption. The subsequent step was to convert those reflections to AI using well information. Synthetic and real data sets were used to show the ability of the introduced method. The results highlight that the time cost to get seismic inversion is negligible related to general Gabor inversion in the frequency domain. Also, obtaining bias could help the method to estimate reliable AI. To justify the effect of random noise on deterministic and stochastic inversion results, a stationary noisy trace with signal-to-noise ratio equal to 2 was used. The results highlight the inability of deterministic inversion in dealing with a noisy data set even using a high number of regularization parameters. Also, despite the low level of signal, stochastic Gabor inversion not only can estimate correctly the wavelet’s properties but also, because of bias from well logs, the inversion result is very close to the real AI. Comparing deterministic and introduced inversion results on a real data set shows that low resolution results, especially in the deeper parts of seismic sections using deterministic inversion, creates significant reliability problems for seismic prospects, but this pitfall is solved completely using stochastic Gabor inversion. The estimated AI using Gabor inversion in the time domain is much better and faster than general Gabor inversion in the frequency domain. This is due to the extra number of windows required to analyze the time-frequency information and also the amount of temporal increment between windows. In contrast, stochastic Gabor inversion can estimate trustable physical properties close to the real characteristics. Applying to a real data set could give an ability to detect the direction of volcanic intrusion and the ability of lithology distribution delineation along the fan. Comparing the inversion results highlights the efficiency of stochastic Gabor inversion to delineate lateral lithology changes because of the improved frequency content and zero phasing of the final inversion volume.

Evaluation of hybrid inverse planning and optimization (HIPO) algorithm for optimization in real-time, high-dose-rate (HDR) brachytherapy for prostate.

PubMed

Pokharel, Shyam; Rana, Suresh; Blikenstaff, Joseph; Sadeghi, Amir; Prestidge, Bradley

2013-07-08

The purpose of this study is to investigate the effectiveness of the HIPO planning and optimization algorithm for real-time prostate HDR brachytherapy. This study consists of 20 patients who underwent ultrasound-based real-time HDR brachytherapy of the prostate using the treatment planning system called Oncentra Prostate (SWIFT version 3.0). The treatment plans for all patients were optimized using inverse dose-volume histogram-based optimization followed by graphical optimization (GRO) in real time. The GRO is manual manipulation of isodose lines slice by slice. The quality of the plan heavily depends on planner expertise and experience. The data for all patients were retrieved later, and treatment plans were created and optimized using HIPO algorithm with the same set of dose constraints, number of catheters, and set of contours as in the real-time optimization algorithm. The HIPO algorithm is a hybrid because it combines both stochastic and deterministic algorithms. The stochastic algorithm, called simulated annealing, searches the optimal catheter distributions for a given set of dose objectives. The deterministic algorithm, called dose-volume histogram-based optimization (DVHO), optimizes three-dimensional dose distribution quickly by moving straight downhill once it is in the advantageous region of the search space given by the stochastic algorithm. The PTV receiving 100% of the prescription dose (V100) was 97.56% and 95.38% with GRO and HIPO, respectively. The mean dose (D(mean)) and minimum dose to 10% volume (D10) for the urethra, rectum, and bladder were all statistically lower with HIPO compared to GRO using the student pair t-test at 5% significance level. HIPO can provide treatment plans with comparable target coverage to that of GRO with a reduction in dose to the critical structures.

Stochastic Seismic Inversion and Migration for Offshore Site Investigation in the Northern Gulf of Mexico

NASA Astrophysics Data System (ADS)

Son, J.; Medina-Cetina, Z.

2017-12-01

We discuss the comparison between deterministic and stochastic optimization approaches to the nonlinear geophysical full-waveform inverse problem, based on the seismic survey data from Mississippi Canyon in the Northern Gulf of Mexico. Since the subsea engineering and offshore construction projects actively require reliable ground models from various site investigations, the primary goal of this study is to reconstruct the accurate subsurface information of the soil and rock material profiles under the seafloor. The shallow sediment layers have naturally formed heterogeneous formations which may cause unwanted marine landslides or foundation failures of underwater infrastructure. We chose the quasi-Newton and simulated annealing as deterministic and stochastic optimization algorithms respectively. Seismic forward modeling based on finite difference method with absorbing boundary condition implements the iterative simulations in the inverse modeling. We briefly report on numerical experiments using a synthetic data as an offshore ground model which contains shallow artificial target profiles of geomaterials under the seafloor. We apply the seismic migration processing and generate Voronoi tessellation on two-dimensional space-domain to improve the computational efficiency of the imaging stratigraphical velocity model reconstruction. We then report on the detail of a field data implementation, which shows the complex geologic structures in the Northern Gulf of Mexico. Lastly, we compare the new inverted image of subsurface site profiles in the space-domain with the previously processed seismic image in the time-domain at the same location. Overall, stochastic optimization for seismic inversion with migration and Voronoi tessellation show significant promise to improve the subsurface imaging of ground models and improve the computational efficiency required for the full waveform inversion. We anticipate that by improving the inversion process of shallow layers from geophysical data will better support the offshore site investigation.

Singular value description of a digital radiographic detector: Theory and measurements

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

Kyprianou, Iacovos S.; Badano, Aldo; Gallas, Brandon D.

The H operator represents the deterministic performance of any imaging system. For a linear, digital imaging system, this system operator can be written in terms of a matrix, H, that describes the deterministic response of the system to a set of point objects. A singular value decomposition of this matrix results in a set of orthogonal functions (singular vectors) that form the system basis. A linear combination of these vectors completely describes the transfer of objects through the linear system, where the respective singular values associated with each singular vector describe the magnitude with which that contribution to the objectmore » is transferred through the system. This paper is focused on the measurement, analysis, and interpretation of the H matrix for digital x-ray detectors. A key ingredient in the measurement of the H matrix is the detector response to a single x ray (or infinitestimal x-ray beam). The authors have developed a method to estimate the 2D detector shift-variant, asymmetric ray response function (RRF) from multiple measured line response functions (LRFs) using a modified edge technique. The RRF measurements cover a range of x-ray incident angles from 0 deg. (equivalent location at the detector center) to 30 deg. (equivalent location at the detector edge) for a standard radiographic or cone-beam CT geometric setup. To demonstrate the method, three beam qualities were tested using the inherent, Lu/Er, and Yb beam filtration. The authors show that measures using the LRF, derived from an edge measurement, underestimate the system's performance when compared with the H matrix derived using the RRF. Furthermore, the authors show that edge measurements must be performed at multiple directions in order to capture rotational asymmetries of the RRF. The authors interpret the results of the H matrix SVD and provide correlations with the familiar MTF methodology. Discussion is made about the benefits of the H matrix technique with regards to signal detection theory, and the characterization of shift-variant imaging systems.« less

Intrinsic magnetic properties of L10 FeNi obtained from meteorite NWA 6259

NASA Astrophysics Data System (ADS)

Poirier, Eric; Pinkerton, Frederick E.; Kubic, Robert; Mishra, Raja K.; Bordeaux, Nina; Mubarok, Arif; Lewis, Laura H.; Goldstein, Joseph I.; Skomski, Ralph; Barmak, Katayun

2015-05-01

FeNi having the tetragonal L10 crystal structure is a promising new rare-earth-free permanent magnet material. Laboratory synthesis is challenging, however, tetragonal L10 FeNi—the mineral "tetrataenite"—has been characterized using specimens found in nickel-iron meteorites. Most notably, the meteorite NWA 6259 recovered from Northwest Africa is 95 vol. % tetrataenite with a composition of 43 at. % Ni. Hysteresis loops were measured as a function of sample orientation on a specimen cut from NWA 6259 in order to rigorously deduce the intrinsic hard magnetic properties of its L10 phase. Electron backscatter diffraction showed that NWA 6259 is strongly textured, containing L10 grains oriented along any one of the three equivalent cubic directions of the parent fcc structure. The magnetic structure was modeled as a superposition of the three orthonormal uniaxial variants. By simultaneously fitting first-quadrant magnetization data for 13 different orientations of the sample with respect to the applied field direction, the intrinsic magnetic properties were estimated to be saturation magnetization 4πMs = 14.7 kG and anisotropy field Ha = 14.4 kOe. The anisotropy constant K = 0.84 MJ/m3 is somewhat smaller than the value K = 1.3 MJ/m3 obtained by earlier researchers from nominally equiatomic FeNi prepared by neutron irradiation accompanied by annealing in a magnetic field, suggesting that higher Ni content (fewer Fe antisite defects) may improve the anisotropy. The fit also indicated that NWA 6259 contains one dominant variant (62% by volume), the remainder of the sample being a second variant, and the third variant being absent altogether.

Intrinsic magnetic properties of L1(0) FeNi obtained from meteorite NWA 6259

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

Poirier, E; Pinkerton, FE; Kubic, R

2015-05-07

FeNi having the tetragonal L1(0) crystal structure is a promising new rare-earth-free permanent magnet material. Laboratory synthesis is challenging, however, tetragonal L1(0) FeNi-the mineral "tetrataenite"-has been characterized using specimens found in nickel-iron meteorites. Most notably, the meteorite NWA 6259 recovered from Northwest Africa is 95 vol.% tetrataenite with a composition of 43 at.% Ni. Hysteresis loops were measured as a function of sample orientation on a specimen cut from NWA 6259 in order to rigorously deduce the intrinsic hard magnetic properties of its L1(0) phase. Electron backscatter diffraction showed that NWA 6259 is strongly textured, containing L1(0) grains oriented alongmore » any one of the three equivalent cubic directions of the parent fcc structure. The magnetic structure was modeled as a superposition of the three orthonormal uniaxial variants. By simultaneously fitting first-quadrant magnetization data for 13 different orientations of the sample with respect to the applied field direction, the intrinsic magnetic properties were estimated to be saturation magnetization 4 pi M-s = 14.7 kG and anisotropy field H-a = 14.4 kOe. The anisotropy constant K = 0.84 MJ/m(3) is somewhat smaller than the value K = 1.3 MJ/m(3) obtained by earlier researchers from nominally equiatomic FeNi prepared by neutron irradiation accompanied by annealing in a magnetic field, suggesting that higher Ni content (fewer Fe antisite defects) may improve the anisotropy. The fit also indicated that NWA 6259 contains one dominant variant (62% by volume), the remainder of the sample being a second variant, and the third variant being absent altogether. (C) 2015 AIP Publishing LLC.« less

ClusterCAD: a computational platform for type I modular polyketide synthase design

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

Eng, Clara H.; Backman, Tyler W H; Bailey, Constance B.

Here, we present ClusterCAD, a web-based toolkit designed to leverage the collinear structure and deterministic logic of type I modular polyketide synthases (PKSs) for synthetic biology applications. The unique organization of these megasynthases, combined with the diversity of their catalytic domain building blocks, has fueled an interest in harnessing the biosynthetic potential of PKSs for the microbial production of both novel natural product analogs and industrially relevant small molecules. However, a limited theoretical understanding of the determinants of PKS fold and function poses a substantial barrier to the design of active variants, and identifying strategies to reliably construct functional PKSmore » chimeras remains an active area of research. In this work, we formalize a paradigm for the design of PKS chimeras and introduce ClusterCAD as a computational platform to streamline and simplify the process of designing experiments to test strategies for engineering PKS variants. ClusterCAD provides chemical structures with stereochemistry for the intermediates generated by each PKS module, as well as sequence- and structure-based search tools that allow users to identify modules based either on amino acid sequence or on the chemical structure of the cognate polyketide intermediate. ClusterCAD can be accessed at https://clustercad.jbei.org and at http://clustercad.igb.uci.edu.« less

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

Vardoyan, G.; Rao, Nageswara S; Towlsey, D.

In recent years, the computer networking community has seen a steady growth in bandwidth-delay products (BDPs). Several TCP variants were created to combat the shortcomings of legacy TCP when it comes to operation in high-BDP environments. These variants, among which are CUBIC, STCP, and H-TCP, have been extensively studied in some empirical contexts, and some analytical models exist for CUBIC and STCP. However, since these studies have been conducted, BDPs have risen even more, and new bulk data transfer tools have emerged that utilize multiple parallel TCP streams. In view of these new developments, it is imperative to revisit themore » question: Which congestion control algorithms are best adapted to current networking environments? In order to help resolve this question, we contribute the following: (i) using first principles, we develop a general throughput-prediction framework that takes into account buffer sizes and maximum window constraints; (ii) we validate the models using measurements and achieve low prediction errors; (iii) we note differences in TCP dynamics between two experimental configurations and find one of them to be significantly more deterministic than the other; we also find that CUBIC and H-TCP outperform STCP, especially when multiple streams are used; and (iv) we present preliminary results for modelling multiple TCP streams for CUBIC and STCP.« less

ClusterCAD: a computational platform for type I modular polyketide synthase design

DOE PAGES

Eng, Clara H.; Backman, Tyler W H; Bailey, Constance B.; ...

2017-10-11

Here, we present ClusterCAD, a web-based toolkit designed to leverage the collinear structure and deterministic logic of type I modular polyketide synthases (PKSs) for synthetic biology applications. The unique organization of these megasynthases, combined with the diversity of their catalytic domain building blocks, has fueled an interest in harnessing the biosynthetic potential of PKSs for the microbial production of both novel natural product analogs and industrially relevant small molecules. However, a limited theoretical understanding of the determinants of PKS fold and function poses a substantial barrier to the design of active variants, and identifying strategies to reliably construct functional PKSmore » chimeras remains an active area of research. In this work, we formalize a paradigm for the design of PKS chimeras and introduce ClusterCAD as a computational platform to streamline and simplify the process of designing experiments to test strategies for engineering PKS variants. ClusterCAD provides chemical structures with stereochemistry for the intermediates generated by each PKS module, as well as sequence- and structure-based search tools that allow users to identify modules based either on amino acid sequence or on the chemical structure of the cognate polyketide intermediate. ClusterCAD can be accessed at https://clustercad.jbei.org and at http://clustercad.igb.uci.edu.« less

History matching of a complex epidemiological model of human immunodeficiency virus transmission by using variance emulation.

PubMed

Andrianakis, I; Vernon, I; McCreesh, N; McKinley, T J; Oakley, J E; Nsubuga, R N; Goldstein, M; White, R G

2017-08-01

Complex stochastic models are commonplace in epidemiology, but their utility depends on their calibration to empirical data. History matching is a (pre)calibration method that has been applied successfully to complex deterministic models. In this work, we adapt history matching to stochastic models, by emulating the variance in the model outputs, and therefore accounting for its dependence on the model's input values. The method proposed is applied to a real complex epidemiological model of human immunodeficiency virus in Uganda with 22 inputs and 18 outputs, and is found to increase the efficiency of history matching, requiring 70% of the time and 43% fewer simulator evaluations compared with a previous variant of the method. The insight gained into the structure of the human immunodeficiency virus model, and the constraints placed on it, are then discussed.

Impact of Martensite Spatial Distribution on Quasi-Static and Dynamic Deformation Behavior of Dual-Phase Steel

NASA Astrophysics Data System (ADS)

Singh, Manpreet; Das, Anindya; Venugopalan, T.; Mukherjee, Krishnendu; Walunj, Mahesh; Nanda, Tarun; Kumar, B. Ravi

2017-12-01

The effects of microstructure parameters of dual-phase steels on tensile high strain dynamic deformation characteristic were examined in this study. Cold-rolled steel sheets were annealed using three different annealing process parameters to obtain three different dual-phase microstructures of varied ferrite and martensite phase fraction. The volume fraction of martensite obtained in two of the steels was near identical ( 19 pct) with a subtle difference in its spatial distribution. In the first microstructure variant, martensite was mostly found to be situated at ferrite grain boundaries and in the second variant, in addition to at grain boundaries, in-grain martensite was also observed. The third microstructure was very different from the above two with respect to martensite volume fraction ( 67 pct) and its morphology. In this case, martensite packets were surrounded by a three-dimensional ferrite network giving an appearance of core and shell type microstructure. All the three steels were tensile deformed at strain rates ranging from 2.7 × 10-4 (quasi-static) to 650 s-1 (dynamic range). Field-emission scanning electron microscope was used to characterize the starting as well as post-tensile deformed microstructures. Dual-phase steel consisting of small martensite volume fraction ( 19 pct), irrespective of its spatial distribution, demonstrated high strain rate sensitivity and on the other hand, steel with large martensite volume fraction ( 67 pct) displayed a very little strain rate sensitivity. Interestingly, total elongation was found to increase with increasing strain rate in the dynamic regime for steel with core-shell type of microstructure containing large martensite volume fraction. The observed enhancement in plasticity in dynamic regime was attributed to adiabatic heating of specimen. To understand the evolving damage mechanism, the fracture surface and the vicinity of fracture ends were studied in all the three dual-phase steels.

Impact of Martensite Spatial Distribution on Quasi-Static and Dynamic Deformation Behavior of Dual-Phase Steel

NASA Astrophysics Data System (ADS)

Singh, Manpreet; Das, Anindya; Venugopalan, T.; Mukherjee, Krishnendu; Walunj, Mahesh; Nanda, Tarun; Kumar, B. Ravi

2018-02-01

The effects of microstructure parameters of dual-phase steels on tensile high strain dynamic deformation characteristic were examined in this study. Cold-rolled steel sheets were annealed using three different annealing process parameters to obtain three different dual-phase microstructures of varied ferrite and martensite phase fraction. The volume fraction of martensite obtained in two of the steels was near identical ( 19 pct) with a subtle difference in its spatial distribution. In the first microstructure variant, martensite was mostly found to be situated at ferrite grain boundaries and in the second variant, in addition to at grain boundaries, in-grain martensite was also observed. The third microstructure was very different from the above two with respect to martensite volume fraction ( 67 pct) and its morphology. In this case, martensite packets were surrounded by a three-dimensional ferrite network giving an appearance of core and shell type microstructure. All the three steels were tensile deformed at strain rates ranging from 2.7 × 10-4 (quasi-static) to 650 s-1 (dynamic range). Field-emission scanning electron microscope was used to characterize the starting as well as post-tensile deformed microstructures. Dual-phase steel consisting of small martensite volume fraction ( 19 pct), irrespective of its spatial distribution, demonstrated high strain rate sensitivity and on the other hand, steel with large martensite volume fraction ( 67 pct) displayed a very little strain rate sensitivity. Interestingly, total elongation was found to increase with increasing strain rate in the dynamic regime for steel with core-shell type of microstructure containing large martensite volume fraction. The observed enhancement in plasticity in dynamic regime was attributed to adiabatic heating of specimen. To understand the evolving damage mechanism, the fracture surface and the vicinity of fracture ends were studied in all the three dual-phase steels.

Proceedings of the 11th Annual DARPA/AFGL Seismic Research symposium

NASA Astrophysics Data System (ADS)

Lewkowicz, James F.; McPhetres, Jeanne M.

1990-11-01

The following subjects are covered: near source observations of quarry explosions; small explosion discrimination and yield estimation; Rg as a depth discriminant for earthquakes and explosions: a case study in New England; a comparative study of high frequency seismic noise at selected sites in the USSR and USA; chemical explosions and the discrimination problem; application of simulated annealing to joint hypocenter determination; frequency dependence of Q(sub Lg) and Q in the continental crust; statistical approaches to testing for compliance with a threshold test ban treaty; broad-band studies of seismic sources at regional and teleseismic distances using advanced time series analysis methods; effects of depth of burial and tectonic release on regional and teleseismic explosion waveforms; finite difference simulations of seismic wave excitation at Soviet test sites with deterministic structures; stochastic geologic effects on near-field ground motions; the damage mechanics of porous rock; nonlinear attenuation mechanism in salt at moderate strain; compressional- and shear-wave polarizations at the Anza seismic array; and a generalized beamforming approach to real time network detection and phase association.

Statistical mechanics of image processing by digital halftoning

NASA Astrophysics Data System (ADS)

Inoue, Jun-Ichi; Norimatsu, Wataru; Saika, Yohei; Okada, Masato

2009-03-01

We consider the problem of digital halftoning (DH). The DH is an image processing representing each grayscale in images in terms of black and white dots, and it is achieved by making use of the threshold dither mask, namely, each pixel is determined as black if the grayscale pixel is greater than or equal to the mask value and as white vice versa. To determine the mask for a given grayscale image, we assume that human-eyes might recognize the BW dots as the corresponding grayscale by linear filters. Then, the Hamiltonian is constructed as a distance between the original and recognized images which is written in terms of the mask. Finding the ground state of the Hamiltonian via deterministic annealing, we obtain the optimal mask and the BW dots simultaneously. From the spectrum analysis, we find that the BW dots are desirable from the view point of human-eyes modulation properties. We also show that the lower bound of the mean square error for the inverse process of the DH is minimized on the Nishimori line which is well-known in the research field of spin glasses.

Combining active learning and semi-supervised learning techniques to extract protein interaction sentences.

PubMed

Song, Min; Yu, Hwanjo; Han, Wook-Shin

2011-11-24

Protein-protein interaction (PPI) extraction has been a focal point of many biomedical research and database curation tools. Both Active Learning and Semi-supervised SVMs have recently been applied to extract PPI automatically. In this paper, we explore combining the AL with the SSL to improve the performance of the PPI task. We propose a novel PPI extraction technique called PPISpotter by combining Deterministic Annealing-based SSL and an AL technique to extract protein-protein interaction. In addition, we extract a comprehensive set of features from MEDLINE records by Natural Language Processing (NLP) techniques, which further improve the SVM classifiers. In our feature selection technique, syntactic, semantic, and lexical properties of text are incorporated into feature selection that boosts the system performance significantly. By conducting experiments with three different PPI corpuses, we show that PPISpotter is superior to the other techniques incorporated into semi-supervised SVMs such as Random Sampling, Clustering, and Transductive SVMs by precision, recall, and F-measure. Our system is a novel, state-of-the-art technique for efficiently extracting protein-protein interaction pairs.

Deterministic chaotic dynamics of Raba River flow (Polish Carpathian Mountains)

NASA Astrophysics Data System (ADS)

Kędra, Mariola

2014-02-01

Is the underlying dynamics of river flow random or deterministic? If it is deterministic, is it deterministic chaotic? This issue is still controversial. The application of several independent methods, techniques and tools for studying daily river flow data gives consistent, reliable and clear-cut results to the question. The outcomes point out that the investigated discharge dynamics is not random but deterministic. Moreover, the results completely confirm the nonlinear deterministic chaotic nature of the studied process. The research was conducted on daily discharge from two selected gauging stations of the mountain river in southern Poland, the Raba River.

The blunt-edged sword: genetic explanations of misbehavior neither mitigate nor aggravate punishment

PubMed Central

Scurich, Nicholas; Appelbaum, Paul

2015-01-01

Links between genetic variants and negatively valenced behaviors have stimulated intense commentary about the implications for responsibility and punishment. Previous research has suggested that behavioral genetic evidence of a predisposition to negative behaviors has modest to no impact on mitigation of punishment, at least for serious crimes. Data are presented on the effect of such evidence in a representative sample of the general population (n = 640) asked to consider three vignettes describing lesser offenses, dealt with in less formal adjudicatory settings and in everyday life. Genetic explanations of behavior had no effect on the severity of the punishment selected in any case, in contrast to the egregiousness of the behavior and respondents’ beliefs in free-will. Public views of genetic influences on behavior may be less deterministic and more nuanced than is often thought, or genetic explanations may simply not have the salience for decision makers that is frequently attributed to them. PMID:27239327

The multinomial simulation algorithm for discrete stochastic simulation of reaction-diffusion systems.

PubMed

Lampoudi, Sotiria; Gillespie, Dan T; Petzold, Linda R

2009-03-07

The Inhomogeneous Stochastic Simulation Algorithm (ISSA) is a variant of the stochastic simulation algorithm in which the spatially inhomogeneous volume of the system is divided into homogeneous subvolumes, and the chemical reactions in those subvolumes are augmented by diffusive transfers of molecules between adjacent subvolumes. The ISSA can be prohibitively slow when the system is such that diffusive transfers occur much more frequently than chemical reactions. In this paper we present the Multinomial Simulation Algorithm (MSA), which is designed to, on the one hand, outperform the ISSA when diffusive transfer events outnumber reaction events, and on the other, to handle small reactant populations with greater accuracy than deterministic-stochastic hybrid algorithms. The MSA treats reactions in the usual ISSA fashion, but uses appropriately conditioned binomial random variables for representing the net numbers of molecules diffusing from any given subvolume to a neighbor within a prescribed distance. Simulation results illustrate the benefits of the algorithm.

A simple new filter for nonlinear high-dimensional data assimilation

NASA Astrophysics Data System (ADS)

Tödter, Julian; Kirchgessner, Paul; Ahrens, Bodo

2015-04-01

The ensemble Kalman filter (EnKF) and its deterministic variants, mostly square root filters such as the ensemble transform Kalman filter (ETKF), represent a popular alternative to variational data assimilation schemes and are applied in a wide range of operational and research activities. Their forecast step employs an ensemble integration that fully respects the nonlinear nature of the analyzed system. In the analysis step, they implicitly assume the prior state and observation errors to be Gaussian. Consequently, in nonlinear systems, the analysis mean and covariance are biased, and these filters remain suboptimal. In contrast, the fully nonlinear, non-Gaussian particle filter (PF) only relies on Bayes' theorem, which guarantees an exact asymptotic behavior, but because of the so-called curse of dimensionality it is exposed to weight collapse. This work shows how to obtain a new analysis ensemble whose mean and covariance exactly match the Bayesian estimates. This is achieved by a deterministic matrix square root transformation of the forecast ensemble, and subsequently a suitable random rotation that significantly contributes to filter stability while preserving the required second-order statistics. The forecast step remains as in the ETKF. The proposed algorithm, which is fairly easy to implement and computationally efficient, is referred to as the nonlinear ensemble transform filter (NETF). The properties and performance of the proposed algorithm are investigated via a set of Lorenz experiments. They indicate that such a filter formulation can increase the analysis quality, even for relatively small ensemble sizes, compared to other ensemble filters in nonlinear, non-Gaussian scenarios. Furthermore, localization enhances the potential applicability of this PF-inspired scheme in larger-dimensional systems. Finally, the novel algorithm is coupled to a large-scale ocean general circulation model. The NETF is stable, behaves reasonably and shows a good performance with a realistic ensemble size. The results confirm that, in principle, it can be applied successfully and as simple as the ETKF in high-dimensional problems without further modifications of the algorithm, even though it is only based on the particle weights. This proves that the suggested method constitutes a useful filter for nonlinear, high-dimensional data assimilation, and is able to overcome the curse of dimensionality even in deterministic systems.

Applied Mathematics in EM Studies with Special Emphasis on an Uncertainty Quantification and 3-D Integral Equation Modelling

NASA Astrophysics Data System (ADS)

Pankratov, Oleg; Kuvshinov, Alexey

2016-01-01

Despite impressive progress in the development and application of electromagnetic (EM) deterministic inverse schemes to map the 3-D distribution of electrical conductivity within the Earth, there is one question which remains poorly addressed—uncertainty quantification of the recovered conductivity models. Apparently, only an inversion based on a statistical approach provides a systematic framework to quantify such uncertainties. The Metropolis-Hastings (M-H) algorithm is the most popular technique for sampling the posterior probability distribution that describes the solution of the statistical inverse problem. However, all statistical inverse schemes require an enormous amount of forward simulations and thus appear to be extremely demanding computationally, if not prohibitive, if a 3-D set up is invoked. This urges development of fast and scalable 3-D modelling codes which can run large-scale 3-D models of practical interest for fractions of a second on high-performance multi-core platforms. But, even with these codes, the challenge for M-H methods is to construct proposal functions that simultaneously provide a good approximation of the target density function while being inexpensive to be sampled. In this paper we address both of these issues. First we introduce a variant of the M-H method which uses information about the local gradient and Hessian of the penalty function. This, in particular, allows us to exploit adjoint-based machinery that has been instrumental for the fast solution of deterministic inverse problems. We explain why this modification of M-H significantly accelerates sampling of the posterior probability distribution. In addition we show how Hessian handling (inverse, square root) can be made practicable by a low-rank approximation using the Lanczos algorithm. Ultimately we discuss uncertainty analysis based on stochastic inversion results. In addition, we demonstrate how this analysis can be performed within a deterministic approach. In the second part, we summarize modern trends in the development of efficient 3-D EM forward modelling schemes with special emphasis on recent advances in the integral equation approach.

Structural Deterministic Safety Factors Selection Criteria and Verification

NASA Technical Reports Server (NTRS)

Verderaime, V.

1992-01-01

Though current deterministic safety factors are arbitrarily and unaccountably specified, its ratio is rooted in resistive and applied stress probability distributions. This study approached the deterministic method from a probabilistic concept leading to a more systematic and coherent philosophy and criterion for designing more uniform and reliable high-performance structures. The deterministic method was noted to consist of three safety factors: a standard deviation multiplier of the applied stress distribution; a K-factor for the A- or B-basis material ultimate stress; and the conventional safety factor to ensure that the applied stress does not operate in the inelastic zone of metallic materials. The conventional safety factor is specifically defined as the ratio of ultimate-to-yield stresses. A deterministic safety index of the combined safety factors was derived from which the corresponding reliability proved the deterministic method is not reliability sensitive. The bases for selecting safety factors are presented and verification requirements are discussed. The suggested deterministic approach is applicable to all NASA, DOD, and commercial high-performance structures under static stresses.

Intrinsic magnetic properties of L1{sub 0} FeNi obtained from meteorite NWA 6259

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

Poirier, Eric; Pinkerton, Frederick E., E-mail: frederick.e.pinkerton@gm.com; Kubic, Robert

2015-05-07

FeNi having the tetragonal L1{sub 0} crystal structure is a promising new rare-earth-free permanent magnet material. Laboratory synthesis is challenging, however, tetragonal L1{sub 0} FeNi—the mineral “tetrataenite”—has been characterized using specimens found in nickel-iron meteorites. Most notably, the meteorite NWA 6259 recovered from Northwest Africa is 95 vol. % tetrataenite with a composition of 43 at. % Ni. Hysteresis loops were measured as a function of sample orientation on a specimen cut from NWA 6259 in order to rigorously deduce the intrinsic hard magnetic properties of its L1{sub 0} phase. Electron backscatter diffraction showed that NWA 6259 is strongly textured, containing L1{submore » 0} grains oriented along any one of the three equivalent cubic directions of the parent fcc structure. The magnetic structure was modeled as a superposition of the three orthonormal uniaxial variants. By simultaneously fitting first-quadrant magnetization data for 13 different orientations of the sample with respect to the applied field direction, the intrinsic magnetic properties were estimated to be saturation magnetization 4πM{sub s} = 14.7 kG and anisotropy field H{sub a} = 14.4 kOe. The anisotropy constant K = 0.84 MJ/m{sup 3} is somewhat smaller than the value K = 1.3 MJ/m{sup 3} obtained by earlier researchers from nominally equiatomic FeNi prepared by neutron irradiation accompanied by annealing in a magnetic field, suggesting that higher Ni content (fewer Fe antisite defects) may improve the anisotropy. The fit also indicated that NWA 6259 contains one dominant variant (62% by volume), the remainder of the sample being a second variant, and the third variant being absent altogether.« less

Probabilistic vs. deterministic fiber tracking and the influence of different seed regions to delineate cerebellar-thalamic fibers in deep brain stimulation.

PubMed

Schlaier, Juergen R; Beer, Anton L; Faltermeier, Rupert; Fellner, Claudia; Steib, Kathrin; Lange, Max; Greenlee, Mark W; Brawanski, Alexander T; Anthofer, Judith M

2017-06-01

This study compared tractography approaches for identifying cerebellar-thalamic fiber bundles relevant to planning target sites for deep brain stimulation (DBS). In particular, probabilistic and deterministic tracking of the dentate-rubro-thalamic tract (DRTT) and differences between the spatial courses of the DRTT and the cerebello-thalamo-cortical (CTC) tract were compared. Six patients with movement disorders were examined by magnetic resonance imaging (MRI), including two sets of diffusion-weighted images (12 and 64 directions). Probabilistic and deterministic tractography was applied on each diffusion-weighted dataset to delineate the DRTT. Results were compared with regard to their sensitivity in revealing the DRTT and additional fiber tracts and processing time. Two sets of regions-of-interests (ROIs) guided deterministic tractography of the DRTT or the CTC, respectively. Tract distances to an atlas-based reference target were compared. Probabilistic fiber tracking with 64 orientations detected the DRTT in all twelve hemispheres. Deterministic tracking detected the DRTT in nine (12 directions) and in only two (64 directions) hemispheres. Probabilistic tracking was more sensitive in detecting additional fibers (e.g. ansa lenticularis and medial forebrain bundle) than deterministic tracking. Probabilistic tracking lasted substantially longer than deterministic. Deterministic tracking was more sensitive in detecting the CTC than the DRTT. CTC tracts were located adjacent but consistently more posterior to DRTT tracts. These results suggest that probabilistic tracking is more sensitive and robust in detecting the DRTT but harder to implement than deterministic approaches. Although sensitivity of deterministic tracking is higher for the CTC than the DRTT, targets for DBS based on these tracts likely differ. © 2017 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

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.

Multiplex Degenerate Primer Design for Targeted Whole Genome Amplification of Many Viral Genomes

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

Gardner, Shea N.; Jaing, Crystal J.; Elsheikh, Maher M.

Background . Targeted enrichment improves coverage of highly mutable viruses at low concentration in complex samples. Degenerate primers that anneal to conserved regions can facilitate amplification of divergent, low concentration variants, even when the strain present is unknown. Results . A tool for designing multiplex sets of degenerate sequencing primers to tile overlapping amplicons across multiple whole genomes is described. The new script, run_tiled_primers, is part of the PriMux software. Primers were designed for each segment of South American hemorrhagic fever viruses, tick-borne encephalitis, Henipaviruses, Arenaviruses, Filoviruses, Crimean-Congo hemorrhagic fever virus, Rift Valley fever virus, and Japanese encephalitis virus. Eachmore » group is highly diverse with as little as 5% genome consensus. Primer sets were computationally checked for nontarget cross reactions against the NCBI nucleotide sequence database. Primers for murine hepatitis virus were demonstrated in the lab to specifically amplify selected genes from a laboratory cultured strain that had undergone extensive passage in vitro and in vivo. Conclusions . This software should help researchers design multiplex sets of primers for targeted whole genome enrichment prior to sequencing to obtain better coverage of low titer, divergent viruses. Applications include viral discovery from a complex background and improved sensitivity and coverage of rapidly evolving strains or variants in a gene family.« less

Multiplex Degenerate Primer Design for Targeted Whole Genome Amplification of Many Viral Genomes

DOE PAGES

Gardner, Shea N.; Jaing, Crystal J.; Elsheikh, Maher M.; ...

2014-01-01

Background . Targeted enrichment improves coverage of highly mutable viruses at low concentration in complex samples. Degenerate primers that anneal to conserved regions can facilitate amplification of divergent, low concentration variants, even when the strain present is unknown. Results . A tool for designing multiplex sets of degenerate sequencing primers to tile overlapping amplicons across multiple whole genomes is described. The new script, run_tiled_primers, is part of the PriMux software. Primers were designed for each segment of South American hemorrhagic fever viruses, tick-borne encephalitis, Henipaviruses, Arenaviruses, Filoviruses, Crimean-Congo hemorrhagic fever virus, Rift Valley fever virus, and Japanese encephalitis virus. Eachmore » group is highly diverse with as little as 5% genome consensus. Primer sets were computationally checked for nontarget cross reactions against the NCBI nucleotide sequence database. Primers for murine hepatitis virus were demonstrated in the lab to specifically amplify selected genes from a laboratory cultured strain that had undergone extensive passage in vitro and in vivo. Conclusions . This software should help researchers design multiplex sets of primers for targeted whole genome enrichment prior to sequencing to obtain better coverage of low titer, divergent viruses. Applications include viral discovery from a complex background and improved sensitivity and coverage of rapidly evolving strains or variants in a gene family.« less

Deterministic quantum dense coding networks

NASA Astrophysics Data System (ADS)

Roy, Saptarshi; Chanda, Titas; Das, Tamoghna; Sen(De), Aditi; Sen, Ujjwal

2018-07-01

We consider the scenario of deterministic classical information transmission between multiple senders and a single receiver, when they a priori share a multipartite quantum state - an attempt towards building a deterministic dense coding network. Specifically, we prove that in the case of two or three senders and a single receiver, generalized Greenberger-Horne-Zeilinger (gGHZ) states are not beneficial for sending classical information deterministically beyond the classical limit, except when the shared state is the GHZ state itself. On the other hand, three- and four-qubit generalized W (gW) states with specific parameters as well as the four-qubit Dicke states can provide a quantum advantage of sending the information in deterministic dense coding. Interestingly however, numerical simulations in the three-qubit scenario reveal that the percentage of states from the GHZ-class that are deterministic dense codeable is higher than that of states from the W-class.

Titanium dioxide nanowire sensor array integration on CMOS platform using deterministic assembly.

PubMed

Gall, Oren Z; Zhong, Xiahua; Schulman, Daniel S; Kang, Myungkoo; Razavieh, Ali; Mayer, Theresa S

2017-06-30

Nanosensor arrays have recently received significant attention due to their utility in a wide range of applications, including gas sensing, fuel cells, internet of things, and portable health monitoring systems. Less attention has been given to the production of sensor platforms in the μW range for ultra-low power applications. Here, we discuss how to scale the nanosensor energy demand by developing a process for integration of nanowire sensing arrays on a monolithic CMOS chip. This work demonstrates an off-chip nanowire fabrication method; subsequently nanowires link to a fused SiO 2 substrate using electric-field assisted directed assembly. The nanowire resistances shown in this work have the highest resistance uniformity reported to date of 18%, which enables a practical roadmap towards the coupling of nanosensors to CMOS circuits and signal processing systems. The article also presents the utility of optimizing annealing conditions of the off-chip metal-oxides prior to CMOS integration to avoid limitations of thermal budget and process incompatibility. In the context of the platform demonstrated here, directed assembly is a powerful tool that can realize highly uniform, cross-reactive arrays of different types of metal-oxide nanosensors suited for gas discrimination and signal processing systems.

Titanium dioxide nanowire sensor array integration on CMOS platform using deterministic assembly

NASA Astrophysics Data System (ADS)

Gall, Oren Z.; Zhong, Xiahua; Schulman, Daniel S.; Kang, Myungkoo; Razavieh, Ali; Mayer, Theresa S.

2017-06-01

Nanosensor arrays have recently received significant attention due to their utility in a wide range of applications, including gas sensing, fuel cells, internet of things, and portable health monitoring systems. Less attention has been given to the production of sensor platforms in the μW range for ultra-low power applications. Here, we discuss how to scale the nanosensor energy demand by developing a process for integration of nanowire sensing arrays on a monolithic CMOS chip. This work demonstrates an off-chip nanowire fabrication method; subsequently nanowires link to a fused SiO2 substrate using electric-field assisted directed assembly. The nanowire resistances shown in this work have the highest resistance uniformity reported to date of 18%, which enables a practical roadmap towards the coupling of nanosensors to CMOS circuits and signal processing systems. The article also presents the utility of optimizing annealing conditions of the off-chip metal-oxides prior to CMOS integration to avoid limitations of thermal budget and process incompatibility. In the context of the platform demonstrated here, directed assembly is a powerful tool that can realize highly uniform, cross-reactive arrays of different types of metal-oxide nanosensors suited for gas discrimination and signal processing systems.

Inferring extinction risks from sighting records.

PubMed

Thompson, C J; Lee, T E; Stone, L; McCarthy, M A; Burgman, M A

2013-12-07

Estimating the probability that a species is extinct based on historical sighting records is important when deciding how much effort and money to invest in conservation policies. The framework we offer is more general than others in the literature to date. Our formulation allows for definite and uncertain observations, and thus better accommodates the realities of sighting record quality. Typically, the probability of observing a species given it is extant/extinct is challenging to define, especially when the possibility of a false observation is included. As such, we assume that observation probabilities derive from a representative probability density function. We incorporate this randomness in two different ways ("quenched" versus "annealed") using a framework that is equivalent to a Bayes formulation. The two methods can lead to significantly different estimates for extinction. In the case of definite sightings only, we provide an explicit deterministic calculation (in which observation probabilities are point estimates). Furthermore, our formulation replicates previous work in certain limiting cases. In the case of uncertain sightings, we allow for the possibility of several independent observational types (specimen, photographs, etc.). The method is applied to the Caribbean monk seal, Monachus tropicalis (which has only definite sightings), and synthetic data, with uncertain sightings. © 2013 Elsevier Ltd. All rights reserved.

A Simple Label Switching Algorithm for Semisupervised Structural SVMs.

PubMed

Balamurugan, P; Shevade, Shirish; Sundararajan, S

2015-10-01

In structured output learning, obtaining labeled data for real-world applications is usually costly, while unlabeled examples are available in abundance. Semisupervised structured classification deals with a small number of labeled examples and a large number of unlabeled structured data. In this work, we consider semisupervised structural support vector machines with domain constraints. The optimization problem, which in general is not convex, contains the loss terms associated with the labeled and unlabeled examples, along with the domain constraints. We propose a simple optimization approach that alternates between solving a supervised learning problem and a constraint matching problem. Solving the constraint matching problem is difficult for structured prediction, and we propose an efficient and effective label switching method to solve it. The alternating optimization is carried out within a deterministic annealing framework, which helps in effective constraint matching and avoiding poor local minima, which are not very useful. The algorithm is simple and easy to implement. Further, it is suitable for any structured output learning problem where exact inference is available. Experiments on benchmark sequence labeling data sets and a natural language parsing data set show that the proposed approach, though simple, achieves comparable generalization performance.

Quantum Adiabatic Optimization and Combinatorial Landscapes

NASA Technical Reports Server (NTRS)

Smelyanskiy, V. N.; Knysh, S.; Morris, R. D.

2003-01-01

In this paper we analyze the performance of the Quantum Adiabatic Evolution (QAE) algorithm on a variant of Satisfiability problem for an ensemble of random graphs parametrized by the ratio of clauses to variables, gamma = M / N. We introduce a set of macroscopic parameters (landscapes) and put forward an ansatz of universality for random bit flips. We then formulate the problem of finding the smallest eigenvalue and the excitation gap as a statistical mechanics problem. We use the so-called annealing approximation with a refinement that a finite set of macroscopic variables (verses only energy) is used, and are able to show the existence of a dynamic threshold gamma = gammad, beyond which QAE should take an exponentially long time to find a solution. We compare the results for extended and simplified sets of landscapes and provide numerical evidence in support of our universality ansatz.

The relationship between stochastic and deterministic quasi-steady state approximations.

PubMed

Kim, Jae Kyoung; Josić, Krešimir; Bennett, Matthew R

2015-11-23

The quasi steady-state approximation (QSSA) is frequently used to reduce deterministic models of biochemical networks. The resulting equations provide a simplified description of the network in terms of non-elementary reaction functions (e.g. Hill functions). Such deterministic reductions are frequently a basis for heuristic stochastic models in which non-elementary reaction functions are used to define reaction propensities. Despite their popularity, it remains unclear when such stochastic reductions are valid. It is frequently assumed that the stochastic reduction can be trusted whenever its deterministic counterpart is accurate. However, a number of recent examples show that this is not necessarily the case. Here we explain the origin of these discrepancies, and demonstrate a clear relationship between the accuracy of the deterministic and the stochastic QSSA for examples widely used in biological systems. With an analysis of a two-state promoter model, and numerical simulations for a variety of other models, we find that the stochastic QSSA is accurate whenever its deterministic counterpart provides an accurate approximation over a range of initial conditions which cover the likely fluctuations from the quasi steady-state (QSS). We conjecture that this relationship provides a simple and computationally inexpensive way to test the accuracy of reduced stochastic models using deterministic simulations. The stochastic QSSA is one of the most popular multi-scale stochastic simulation methods. While the use of QSSA, and the resulting non-elementary functions has been justified in the deterministic case, it is not clear when their stochastic counterparts are accurate. In this study, we show how the accuracy of the stochastic QSSA can be tested using their deterministic counterparts providing a concrete method to test when non-elementary rate functions can be used in stochastic simulations.

Cost-effectiveness analysis of neurocognitive-sparing treatments for brain metastases.

PubMed

Savitz, Samuel T; Chen, Ronald C; Sher, David J

2015-12-01

Decisions regarding how to treat patients who have 1 to 3 brain metastases require important tradeoffs between controlling recurrences, side effects, and costs. In this analysis, the authors compared novel treatments versus usual care to determine the incremental cost-effectiveness ratio from a payer's (Medicare) perspective. Cost-effectiveness was evaluated using a microsimulation of a Markov model for 60 one-month cycles. The model used 4 simulated cohorts of patients aged 65 years with 1 to 3 brain metastases. The 4 cohorts had a median survival of 3, 6, 12, and 24 months to test the sensitivity of the model to different prognoses. The treatment alternatives evaluated included stereotactic radiosurgery (SRS) with 3 variants of salvage after recurrence (whole-brain radiotherapy [WBRT], hippocampal avoidance WBRT [HA-WBRT], SRS plus WBRT, and SRS plus HA-WBRT). The findings were tested for robustness using probabilistic and deterministic sensitivity analyses. Traditional radiation therapies remained cost-effective for patients in the 3-month and 6-month cohorts. In the cohorts with longer median survival, HA-WBRT and SRS plus HA-WBRT became cost-effective relative to traditional treatments. When the treatments that involved HA-WBRT were excluded, either SRS alone or SRS plus WBRT was cost-effective relative to WBRT alone. The deterministic and probabilistic sensitivity analyses confirmed the robustness of these results. HA-WBRT and SRS plus HA-WBRT were cost-effective for 2 of the 4 cohorts, demonstrating the value of controlling late brain toxicity with this novel therapy. Cost-effectiveness depended on patient life expectancy. SRS was cost-effective in the cohorts with short prognoses (3 and 6 months), whereas HA-WBRT and SRS plus HA-WBRT were cost-effective in the cohorts with longer prognoses (12 and 24 months). © 2015 American Cancer Society.

Non-intrusive uncertainty quantification of computational fluid dynamics simulations: notes on the accuracy and efficiency

NASA Astrophysics Data System (ADS)

Zimoń, Małgorzata; Sawko, Robert; Emerson, David; Thompson, Christopher

2017-11-01

Uncertainty quantification (UQ) is increasingly becoming an indispensable tool for assessing the reliability of computational modelling. Efficient handling of stochastic inputs, such as boundary conditions, physical properties or geometry, increases the utility of model results significantly. We discuss the application of non-intrusive generalised polynomial chaos techniques in the context of fluid engineering simulations. Deterministic and Monte Carlo integration rules are applied to a set of problems, including ordinary differential equations and the computation of aerodynamic parameters subject to random perturbations. In particular, we analyse acoustic wave propagation in a heterogeneous medium to study the effects of mesh resolution, transients, number and variability of stochastic inputs. We consider variants of multi-level Monte Carlo and perform a novel comparison of the methods with respect to numerical and parametric errors, as well as computational cost. The results provide a comprehensive view of the necessary steps in UQ analysis and demonstrate some key features of stochastic fluid flow systems.

Blending Determinism with Evolutionary Computing: Applications to the Calculation of the Molecular Electronic Structure of Polythiophene.

PubMed

Sarkar, Kanchan; Sharma, Rahul; Bhattacharyya, S P

2010-03-09

A density matrix based soft-computing solution to the quantum mechanical problem of computing the molecular electronic structure of fairly long polythiophene (PT) chains is proposed. The soft-computing solution is based on a "random mutation hill climbing" scheme which is modified by blending it with a deterministic method based on a trial single-particle density matrix [P((0))(R)] for the guessed structural parameters (R), which is allowed to evolve under a unitary transformation generated by the Hamiltonian H(R). The Hamiltonian itself changes as the geometrical parameters (R) defining the polythiophene chain undergo mutation. The scale (λ) of the transformation is optimized by making the energy [E(λ)] stationary with respect to λ. The robustness and the performance levels of variants of the algorithm are analyzed and compared with those of other derivative free methods. The method is further tested successfully with optimization of the geometry of bipolaron-doped long PT chains.

Spatially and spectrally engineered spin-orbit interaction for achromatic virtual shaping

PubMed Central

Pu, Mingbo; Zhao, Zeyu; Wang, Yanqin; Li, Xiong; Ma, Xiaoliang; Hu, Chenggang; Wang, Changtao; Huang, Cheng; Luo, Xiangang

2015-01-01

The geometries of objects are deterministic in electromagnetic phenomena in all aspects of our world, ranging from imaging with spherical eyes to stealth aircraft with bizarre shapes. Nevertheless, shaping the physical geometry is often undesired owing to other physical constraints such as aero- and hydro-dynamics in the stealth technology. Here we demonstrate that it is possible to change the traditional law of reflection as well as the electromagnetic characters without altering the physical shape, by utilizing the achromatic phase shift stemming from spin-orbit interaction in ultrathin space-variant and spectrally engineered metasurfaces. The proposal is validated by full-wave simulations and experimental characterization in optical wavelengths ranging from 600 nm to 2800 nm and microwave frequencies in 8-16 GHz, with echo reflectance less than 10% in the whole range. The virtual shaping as well as the revised law of reflection may serve as a versatile tool in many realms, including broadband and conformal camouflage and Kinoform holography, to name just a few. PMID:25959663

WKB theory of large deviations in stochastic populations

NASA Astrophysics Data System (ADS)

Assaf, Michael; Meerson, Baruch

2017-06-01

Stochasticity can play an important role in the dynamics of biologically relevant populations. These span a broad range of scales: from intra-cellular populations of molecules to population of cells and then to groups of plants, animals and people. Large deviations in stochastic population dynamics—such as those determining population extinction, fixation or switching between different states—are presently in a focus of attention of statistical physicists. We review recent progress in applying different variants of dissipative WKB approximation (after Wentzel, Kramers and Brillouin) to this class of problems. The WKB approximation allows one to evaluate the mean time and/or probability of population extinction, fixation and switches resulting from either intrinsic (demographic) noise, or a combination of the demographic noise and environmental variations, deterministic or random. We mostly cover well-mixed populations, single and multiple, but also briefly consider populations on heterogeneous networks and spatial populations. The spatial setting also allows one to study large fluctuations of the speed of biological invasions. Finally, we briefly discuss possible directions of future work.

Statics and Dynamics of Selfish Interactions in Distributed Service Systems

PubMed Central

Altarelli, Fabrizio; Braunstein, Alfredo; Dall’Asta, Luca

2015-01-01

We study a class of games which models the competition among agents to access some service provided by distributed service units and which exhibits congestion and frustration phenomena when service units have limited capacity. We propose a technique, based on the cavity method of statistical physics, to characterize the full spectrum of Nash equilibria of the game. The analysis reveals a large variety of equilibria, with very different statistical properties. Natural selfish dynamics, such as best-response, usually tend to large-utility equilibria, even though those of smaller utility are exponentially more numerous. Interestingly, the latter actually can be reached by selecting the initial conditions of the best-response dynamics close to the saturation limit of the service unit capacities. We also study a more realistic stochastic variant of the game by means of a simple and effective approximation of the average over the random parameters, showing that the properties of the average-case Nash equilibria are qualitatively similar to the deterministic ones. PMID:26177449

Deterministic Walks with Choice

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

Beeler, Katy E.; Berenhaut, Kenneth S.; Cooper, Joshua N.

2014-01-10

This paper studies deterministic movement over toroidal grids, integrating local information, bounded memory and choice at individual nodes. The research is motivated by recent work on deterministic random walks, and applications in multi-agent systems. Several results regarding passing tokens through toroidal grids are discussed, as well as some open questions.

Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

DOEpatents

Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E. , Guillorn, Michael A.; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TN; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

2011-05-17

Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. A method includes depositing a catalyst particle on a surface of a substrate to define a deterministically located position; growing an aligned elongated nanostructure on the substrate, an end of the aligned elongated nanostructure coupled to the substrate at the deterministically located position; coating the aligned elongated nanostructure with a conduit material; removing a portion of the conduit material to expose the catalyst particle; removing the catalyst particle; and removing the elongated nanostructure to define a nanoconduit.

Human brain detects short-time nonlinear predictability in the temporal fine structure of deterministic chaotic sounds

NASA Astrophysics Data System (ADS)

Itoh, Kosuke; Nakada, Tsutomu

2013-04-01

Deterministic nonlinear dynamical processes are ubiquitous in nature. Chaotic sounds generated by such processes may appear irregular and random in waveform, but these sounds are mathematically distinguished from random stochastic sounds in that they contain deterministic short-time predictability in their temporal fine structures. We show that the human brain distinguishes deterministic chaotic sounds from spectrally matched stochastic sounds in neural processing and perception. Deterministic chaotic sounds, even without being attended to, elicited greater cerebral cortical responses than the surrogate control sounds after about 150 ms in latency after sound onset. Listeners also clearly discriminated these sounds in perception. The results support the hypothesis that the human auditory system is sensitive to the subtle short-time predictability embedded in the temporal fine structure of sounds.

A deterministic particle method for one-dimensional reaction-diffusion equations

NASA Technical Reports Server (NTRS)

Mascagni, Michael

1995-01-01

We derive a deterministic particle method for the solution of nonlinear reaction-diffusion equations in one spatial dimension. This deterministic method is an analog of a Monte Carlo method for the solution of these problems that has been previously investigated by the author. The deterministic method leads to the consideration of a system of ordinary differential equations for the positions of suitably defined particles. We then consider the time explicit and implicit methods for this system of ordinary differential equations and we study a Picard and Newton iteration for the solution of the implicit system. Next we solve numerically this system and study the discretization error both analytically and numerically. Numerical computation shows that this deterministic method is automatically adaptive to large gradients in the solution.

[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.

Evolution of Residual Stress and Distortion of Cold-Rolled Bearing Ring from Annealing to Quenched-Tempered Heat Treatment

NASA Astrophysics Data System (ADS)

Lu, Bohan; Lu, Xiaohui

2018-02-01

This study investigates the correlation between the residual stress and distortion behavior of a cold-rolled ring from the annealing to quenching-tempering (QT) process. Due to the cold-rolled process, the external periphery of the bearing ring experiences a compressive residual stress. To relieve the residual stress, cold-rolled rings are annealed at 700 °C which is higher than the starting temperature of recrystallization. When cold-rolled rings are annealed at 700 °C for 15 min, the compressive residual stress is reduced to zero and the outer diameter of the annealed ring becomes larger than that of a non-annealed sample, which is unrelated to annealing time. Simultaneously, the roundness and taper deviation do not obviously change compared with those of non-annealed sample. The stress relaxation during the annealing process was attributed to the recovery and recrystallization of ferrite. Annealing has a genetic influence on the following QT heat treatment, wherein the lowest residual stress is in the non-annealed cold-rolled ring. From the annealing to QT process, the deviation of the outer diameter, roundness, and taper increased with annealing time, a large extend than that of non-annealed samples.

Fine Structure in Multi-Phase Zr8Ni21-Zr7Ni10-Zr2Ni7 Alloy Revealed by Transmission Electron Microscope

PubMed Central

Shen, Haoting; Bendersky, Leonid A.; Young, Kwo; Nei, Jean

2015-01-01

The microstructure of an annealed alloy with a Zr8Ni21 composition was studied by both scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The presence of three phases, Zr8Ni21, Zr2Ni7, and Zr7Ni10, was confirmed by SEM/X-ray energy dispersive spectroscopy compositional mapping and TEM electron diffraction. Distribution of the phases and their morphology can be linked to a multi-phase structure formed by a sequence of reactions: (1) L → Zr2Ni7 + L’; (2) peritectic Zr2Ni7 + L’ → Zr2Ni7 + Zr8Ni21 + L”; (3) eutectic L” → Zr8Ni21 + Zr7Ni10. The effect of annealing at 960 °C, which was intended to convert a cast structure into a single-phase Zr8Ni21 structure, was only moderate and the resulting alloy was still multi-phased. TEM and crystallographic analysis of the Zr2Ni7 phase show a high density of planar (001) defects that were explained as low-energy boundaries between rotational variants and stacking faults. The crystallographic features arise from the pseudo-hexagonal structure of Zr2Ni7. This highly defective Zr2Ni7 phase was identified as the source of the broad X-ray diffraction peaks at around 38.4° and 44.6° when a Cu-K was used as the radiation source. PMID:28793460

RNA chaperone activity of human La protein is mediated by variant RNA recognition motif.

PubMed

Naeeni, Amir R; Conte, Maria R; Bayfield, Mark A

2012-02-17

La proteins are conserved factors in eukaryotes that bind and protect the 3' trailers of pre-tRNAs from exonuclease digestion via sequence-specific recognition of UUU-3'OH. La has also been hypothesized to assist pre-tRNAs in attaining their native fold through RNA chaperone activity. In addition to binding polymerase III transcripts, human La has also been shown to enhance the translation of several internal ribosome entry sites and upstream ORF-containing mRNA targets, also potentially through RNA chaperone activity. Using in vitro FRET-based assays, we show that human and Schizosaccharomyces pombe La proteins harbor RNA chaperone activity by enhancing RNA strand annealing and strand dissociation. We use various RNA substrates and La mutants to show that UUU-3'OH-dependent La-RNA binding is not required for this function, and we map RNA chaperone activity to its RRM1 motif including a noncanonical α3-helix. We validate the importance of this α3-helix by appending it to the RRM of the unrelated U1A protein and show that this fusion protein acquires significant strand annealing activity. Finally, we show that residues required for La-mediated RNA chaperone activity in vitro are required for La-dependent rescue of tRNA-mediated suppression via a mutated suppressor tRNA in vivo. This work delineates the structural elements required for La-mediated RNA chaperone activity and provides a basis for understanding how La can enhance the folding of its various RNA targets.

Deterministic and Stochastic Analysis of a Prey-Dependent Predator-Prey System

ERIC Educational Resources Information Center

Maiti, Alakes; Samanta, G. P.

2005-01-01

This paper reports on studies of the deterministic and stochastic behaviours of a predator-prey system with prey-dependent response function. The first part of the paper deals with the deterministic analysis of uniform boundedness, permanence, stability and bifurcation. In the second part the reproductive and mortality factors of the prey and…

ShinyGPAS: interactive genomic prediction accuracy simulator based on deterministic formulas.

PubMed

Morota, Gota

2017-12-20

Deterministic formulas for the accuracy of genomic predictions highlight the relationships among prediction accuracy and potential factors influencing prediction accuracy prior to performing computationally intensive cross-validation. Visualizing such deterministic formulas in an interactive manner may lead to a better understanding of how genetic factors control prediction accuracy. The software to simulate deterministic formulas for genomic prediction accuracy was implemented in R and encapsulated as a web-based Shiny application. Shiny genomic prediction accuracy simulator (ShinyGPAS) simulates various deterministic formulas and delivers dynamic scatter plots of prediction accuracy versus genetic factors impacting prediction accuracy, while requiring only mouse navigation in a web browser. ShinyGPAS is available at: https://chikudaisei.shinyapps.io/shinygpas/ . ShinyGPAS is a shiny-based interactive genomic prediction accuracy simulator using deterministic formulas. It can be used for interactively exploring potential factors that influence prediction accuracy in genome-enabled prediction, simulating achievable prediction accuracy prior to genotyping individuals, or supporting in-class teaching. ShinyGPAS is open source software and it is hosted online as a freely available web-based resource with an intuitive graphical user interface.

Genomic Variants Revealed by Invariably Missing Genotypes in Nelore Cattle

PubMed Central

da Silva, Joaquim Manoel; Giachetto, Poliana Fernanda; da Silva, Luiz Otávio Campos; Cintra, Leandro Carrijo; Paiva, Samuel Rezende; Caetano, Alexandre Rodrigues; Yamagishi, Michel Eduardo Beleza

2015-01-01

High density genotyping panels have been used in a wide range of applications. From population genetics to genome-wide association studies, this technology still offers the lowest cost and the most consistent solution for generating SNP data. However, in spite of the application, part of the generated data is always discarded from final datasets based on quality control criteria used to remove unreliable markers. Some discarded data consists of markers that failed to generate genotypes, labeled as missing genotypes. A subset of missing genotypes that occur in the whole population under study may be caused by technical issues but can also be explained by the presence of genomic variations that are in the vicinity of the assayed SNP and that prevent genotyping probes from annealing. The latter case may contain relevant information because these missing genotypes might be used to identify population-specific genomic variants. In order to assess which case is more prevalent, we used Illumina HD Bovine chip genotypes from 1,709 Nelore (Bos indicus) samples. We found 3,200 missing genotypes among the whole population. NGS re-sequencing data from 8 sires were used to verify the presence of genomic variations within their flanking regions in 81.56% of these missing genotypes. Furthermore, we discovered 3,300 novel SNPs/Indels, 31% of which are located in genes that may affect traits of importance for the genetic improvement of cattle production. PMID:26305794

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

Yang, Y M; Bush, K; Han, B

Purpose: Accurate and fast dose calculation is a prerequisite of precision radiation therapy in modern photon and particle therapy. While Monte Carlo (MC) dose calculation provides high dosimetric accuracy, the drastically increased computational time hinders its routine use. Deterministic dose calculation methods are fast, but problematic in the presence of tissue density inhomogeneity. We leverage the useful features of deterministic methods and MC to develop a hybrid dose calculation platform with autonomous utilization of MC and deterministic calculation depending on the local geometry, for optimal accuracy and speed. Methods: Our platform utilizes a Geant4 based “localized Monte Carlo” (LMC) methodmore » that isolates MC dose calculations only to volumes that have potential for dosimetric inaccuracy. In our approach, additional structures are created encompassing heterogeneous volumes. Deterministic methods calculate dose and energy fluence up to the volume surfaces, where the energy fluence distribution is sampled into discrete histories and transported using MC. Histories exiting the volume are converted back into energy fluence, and transported deterministically. By matching boundary conditions at both interfaces, deterministic dose calculation account for dose perturbations “downstream” of localized heterogeneities. Hybrid dose calculation was performed for water and anthropomorphic phantoms. Results: We achieved <1% agreement between deterministic and MC calculations in the water benchmark for photon and proton beams, and dose differences of 2%–15% could be observed in heterogeneous phantoms. The saving in computational time (a factor ∼4–7 compared to a full Monte Carlo dose calculation) was found to be approximately proportional to the volume of the heterogeneous region. Conclusion: Our hybrid dose calculation approach takes advantage of the computational efficiency of deterministic method and accuracy of MC, providing a practical tool for high performance dose calculation in modern RT. The approach is generalizable to all modalities where heterogeneities play a large role, notably particle therapy.« less

The past, present and future of cyber-physical systems: a focus on models.

PubMed

Lee, Edward A

2015-02-26

This paper is about better engineering of cyber-physical systems (CPSs) through better models. Deterministic models have historically proven extremely useful and arguably form the kingpin of the industrial revolution and the digital and information technology revolutions. Key deterministic models that have proven successful include differential equations, synchronous digital logic and single-threaded imperative programs. Cyber-physical systems, however, combine these models in such a way that determinism is not preserved. Two projects show that deterministic CPS models with faithful physical realizations are possible and practical. The first project is PRET, which shows that the timing precision of synchronous digital logic can be practically made available at the software level of abstraction. The second project is Ptides (programming temporally-integrated distributed embedded systems), which shows that deterministic models for distributed cyber-physical systems have practical faithful realizations. These projects are existence proofs that deterministic CPS models are possible and practical.

The Past, Present and Future of Cyber-Physical Systems: A Focus on Models

PubMed Central

Lee, Edward A.

2015-01-01

This paper is about better engineering of cyber-physical systems (CPSs) through better models. Deterministic models have historically proven extremely useful and arguably form the kingpin of the industrial revolution and the digital and information technology revolutions. Key deterministic models that have proven successful include differential equations, synchronous digital logic and single-threaded imperative programs. Cyber-physical systems, however, combine these models in such a way that determinism is not preserved. Two projects show that deterministic CPS models with faithful physical realizations are possible and practical. The first project is PRET, which shows that the timing precision of synchronous digital logic can be practically made available at the software level of abstraction. The second project is Ptides (programming temporally-integrated distributed embedded systems), which shows that deterministic models for distributed cyber-physical systems have practical faithful realizations. These projects are existence proofs that deterministic CPS models are possible and practical. PMID:25730486

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.

Deformation and annealing response of TD-nickel chromium

NASA Technical Reports Server (NTRS)

Kane, R. D.; Ebert, L. J.

1975-01-01

The recrystallization and grain growth processes occurring in TD-NiCr were examined with respect to deformation severity, annealing time, and temperature. Results indicated that two different annealing responses of TD-NiCr are possible, depending on the initial state and processing history prior to annealing. As-received sheet showed a dramatic increase in grain size with decreasing annealing temperature, whereas sheet prior-annealed at 1316 C for 1 hr exhibited very little variation with subsequent annealing temperature.

Stability analysis of multi-group deterministic and stochastic epidemic models with vaccination rate

NASA Astrophysics Data System (ADS)

Wang, Zhi-Gang; Gao, Rui-Mei; Fan, Xiao-Ming; Han, Qi-Xing

2014-09-01

We discuss in this paper a deterministic multi-group MSIR epidemic model with a vaccination rate, the basic reproduction number ℛ0, a key parameter in epidemiology, is a threshold which determines the persistence or extinction of the disease. By using Lyapunov function techniques, we show if ℛ0 is greater than 1 and the deterministic model obeys some conditions, then the disease will prevail, the infective persists and the endemic state is asymptotically stable in a feasible region. If ℛ0 is less than or equal to 1, then the infective disappear so the disease dies out. In addition, stochastic noises around the endemic equilibrium will be added to the deterministic MSIR model in order that the deterministic model is extended to a system of stochastic ordinary differential equations. In the stochastic version, we carry out a detailed analysis on the asymptotic behavior of the stochastic model. In addition, regarding the value of ℛ0, when the stochastic system obeys some conditions and ℛ0 is greater than 1, we deduce the stochastic system is stochastically asymptotically stable. Finally, the deterministic and stochastic model dynamics are illustrated through computer simulations.

Local Resistance Profiling of Ultra Shallow Junction Annealed with Combination of Spike Lamp and Laser Annealing Processes using Scanning Spreading Resistance Microscope

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

Abo, Satoshi; Nishikawa, Kazuhisa; Ushigome, Naoya

2011-01-07

Local resistance profiles of ultra shallow boron and arsenic implanted into silicon with energies of 2.0 and 4.0 keV and doses of 2.0x10{sup 15} and 1.0x10{sup 15} ions/cm{sup 2} activated by a combination of conventional spike lamp and laser annealing processes were measured by scanning spreading resistance microscope (SSRM) with a depth resolution of less than 10 nm. The lowest local resistance at the low resistance region in 2.0 keV boron implanted silicon with 1050 deg. C spike lamp annealing followed by 0.35 kW/mm{sup 2} laser annealing was half of that without laser annealing. The lowest local resistance at themore » low resistance region in the arsenic implanted silicon activated by 1050 deg. C spike lamp annealing followed by 0.39 kW/mm{sup 2} laser annealing was 74% lower than that followed by 0.36 kW/mm{sup 2} laser annealing. The lowest local resistances at the low resistance regions in the arsenic implanted silicon with 0.36 and 0.39 kW/mm{sup 2} laser annealing followed by 1050 deg. C spike lamp annealing were 41 and 33% lower than those with spike lamp annealing followed by laser annealing. Laser annealing followed by spike lamp annealing could suppress the diffusion of the impurities and was suitable for making the ultra shallow and low resistance regions.« less

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.

Investigation of a pulsed current annealing method in reusing MOSFET dosimeters for in vivo IMRT dosimetry.

PubMed

Luo, Guang-Wen; Qi, Zhen-Yu; Deng, Xiao-Wu; Rosenfeld, Anatoly

2014-05-01

To explore the feasibility of pulsed current annealing in reusing metal oxide semiconductor field-effect transistor (MOSFET) dosimeters for in vivo intensity modulated radiation therapy (IMRT) dosimetry. Several MOSFETs were irradiated at d(max) using a 6 MV x-ray beam with 5 V on the gate and annealed with zero bias at room temperature. The percentage recovery of threshold voltage shift during multiple irradiation-annealing cycles was evaluated. Key dosimetry characteristics of the annealed MOSFET such as the dosimeter's sensitivity, reproducibility, dose linearity, and linearity of response within the dynamic range were investigated. The initial results of using the annealed MOSFETs for IMRT dosimetry practice were also presented. More than 95% of threshold voltage shift can be recovered after 24-pulse current continuous annealing in 16 min. The mean sensitivity degradation was found to be 1.28%, ranging from 1.17% to 1.52%, during multiple annealing procedures. Other important characteristics of the annealed MOSFET remained nearly consistent before and after annealing. Our results showed there was no statistically significant difference between the annealed MOSFETs and their control samples in absolute dose measurements for IMRT QA (p = 0.99). The MOSFET measurements agreed with the ion chamber results on an average of 0.16% ± 0.64%. Pulsed current annealing provides a practical option for reusing MOSFETs to extend their operational lifetime. The current annealing circuit can be integrated into the reader, making the annealing procedure fully automatic.

Beyond Moore's law: towards competitive quantum devices

NASA Astrophysics Data System (ADS)

Troyer, Matthias

2015-05-01

A century after the invention of quantum theory and fifty years after Bell's inequality we see the first quantum devices emerge as products that aim to be competitive with the best classical computing devices. While a universal quantum computer of non-trivial size is still out of reach there exist a number commercial and experimental devices: quantum random number generators, quantum simulators and quantum annealers. In this colloquium I will present some of these devices and validation tests we performed on them. Quantum random number generators use the inherent randomness in quantum measurements to produce true random numbers, unlike classical pseudorandom number generators which are inherently deterministic. Optical lattice emulators use ultracold atomic gases in optical lattices to mimic typical models of condensed matter physics. In my talk I will focus especially on the devices built by Canadian company D-Wave systems, which are special purpose quantum simulators for solving hard classical optimization problems. I will review the controversy around the quantum nature of these devices and will compare them to state of the art classical algorithms. I will end with an outlook towards universal quantum computing and end with the question: which important problems that are intractable even for post-exa-scale classical computers could we expect to solve once we have a universal quantum computer?

Time-Varying Delay Estimation Applied to the Surface Electromyography Signals Using the Parametric Approach

NASA Astrophysics Data System (ADS)

Luu, Gia Thien; Boualem, Abdelbassit; Duy, Tran Trung; Ravier, Philippe; Butteli, Olivier

Muscle Fiber Conduction Velocity (MFCV) can be calculated from the time delay between the surface electromyographic (sEMG) signals recorded by electrodes aligned with the fiber direction. In order to take into account the non-stationarity during the dynamic contraction (the most daily life situation) of the data, the developed methods have to consider that the MFCV changes over time, which induces time-varying delays and the data is non-stationary (change of Power Spectral Density (PSD)). In this paper, the problem of TVD estimation is considered using a parametric method. First, the polynomial model of TVD has been proposed. Then, the TVD model parameters are estimated by using a maximum likelihood estimation (MLE) strategy solved by a deterministic optimization technique (Newton) and stochastic optimization technique, called simulated annealing (SA). The performance of the two techniques is also compared. We also derive two appropriate Cramer-Rao Lower Bounds (CRLB) for the estimated TVD model parameters and for the TVD waveforms. Monte-Carlo simulation results show that the estimation of both the model parameters and the TVD function is unbiased and that the variance obtained is close to the derived CRBs. A comparison with non-parametric approaches of the TVD estimation is also presented and shows the superiority of the method proposed.

Quantifying selection in evolving populations using time-resolved genetic data

NASA Astrophysics Data System (ADS)

Illingworth, Christopher J. R.; Mustonen, Ville

2013-01-01

Methods which uncover the molecular basis of the adaptive evolution of a population address some important biological questions. For example, the problem of identifying genetic variants which underlie drug resistance, a question of importance for the treatment of pathogens, and of cancer, can be understood as a matter of inferring selection. One difficulty in the inference of variants under positive selection is the potential complexity of the underlying evolutionary dynamics, which may involve an interplay between several contributing processes, including mutation, recombination and genetic drift. A source of progress may be found in modern sequencing technologies, which confer an increasing ability to gather information about evolving populations, granting a window into these complex processes. One particularly interesting development is the ability to follow evolution as it happens, by whole-genome sequencing of an evolving population at multiple time points. We here discuss how to use time-resolved sequence data to draw inferences about the evolutionary dynamics of a population under study. We begin by reviewing our earlier analysis of a yeast selection experiment, in which we used a deterministic evolutionary framework to identify alleles under selection for heat tolerance, and to quantify the selection acting upon them. Considering further the use of advanced intercross lines to measure selection, we here extend this framework to cover scenarios of simultaneous recombination and selection, and of two driver alleles with multiple linked neutral, or passenger, alleles, where the driver pair evolves under an epistatic fitness landscape. We conclude by discussing the limitations of the approach presented and outlining future challenges for such methodologies.

Annealing study of poly(etheretherketone)

NASA Technical Reports Server (NTRS)

Cebe, Peggy

1988-01-01

Annealing of PEEK has been studied for two materials cold-crystallized from the rubbery amorphous state. The first material is a low molecular weight PEEK; the second is commercially available neat resin. Differential scanning calorimetry was used to monitor the melting behavior of annealed samples. The effect of thermal history on melting behavior is very complex and depends upon annealing temperature, residence time at the annealing temperature, and subsequent scanning rate. Thermal stability of both materials is improved by annealing, and for an annealing temperature near the melting point, the polymer can be stabilized against reorganization during the scan. Variations of density, degree of crystallinity, and X-ray long period were studied as a function of annealing temperature for the commercial material.

Correlation Between Pre-annealing Temperature and {110}<001> Annealing Texture in C- and Al-Free Fe-3 Pct Si-0.1 Pct Mn-0.002 Pct S Electrical Steel

NASA Astrophysics Data System (ADS)

Oh, Eun Jee; Heo, Nam Hoe; Koo, Yang Mo

2017-06-01

In C- and Al-free electrical steel, the increase in primary grain size with increasing pre-annealing temperature causes the transition in annealing texture after final annealing from {110} + {100} to {110}. The strip pre-annealed at 1073 K (800 °C) shows a low magnetic induction B8(T) of 1.784 T after final annealing. The strip pre-annealed at 1223 K (950 °C) shows a sharp {110}<001> Goss texture, producing a high magnetic induction B8(T) of 1.914 T comparable to that of the conventional electrical steels.

Periodic annealing of radiation damage in GaAs solar cells

NASA Technical Reports Server (NTRS)

Loo, R. Y.; Knechtli, R. C.; Kamath, G. S.

1980-01-01

Continuous annealing of GaAs solar cells is compared with periodic annealing to determine their relative effectiveness in minimizing proton radiation damage. It is concluded that continuous annealing of the cells in space at 150 C can effectively reduce the proton radiation damage to the GaAs solar cells. Periodic annealing is most effective if it can be initiated at relatively low fluences (approximating continuous annealing), especially if low temperatures of less than 200 C are to be used. If annealing is started only after the fluence of the damaging protons has accumulated to a high value 10 to the 11th power sq/pcm), effective annealing is still possible at relatively high temperatures. Finally, since electron radiation damage anneals even more easily than proton radiation damage, substantial improvements in GaAs solar cell life can be achieved by incorporating the proper annealing capabilities in solar panels for practical space missions where both electron and proton radiation damage have to be minimized.

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.

Note: Improving long-term stability of hot-wire anemometer sensors by means of annealing

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

Lundström, H., E-mail: hans.lundstrom@hig.se

2015-08-15

Annealing procedures for hot-wire sensors of platinum and platinum-plated tungsten have been investigated experimentally. It was discovered that the two investigated sensor metals behave quite differently during the annealing process, but for both types annealing may improve long-term stability considerably. Measured drift of sensors both without and with prior annealing is presented. Suggestions for suitable annealing temperatures and times are given.

Deterministic and stochastic CTMC models from Zika disease transmission

NASA Astrophysics Data System (ADS)

Zevika, Mona; Soewono, Edy

2018-03-01

Zika infection is one of the most important mosquito-borne diseases in the world. Zika virus (ZIKV) is transmitted by many Aedes-type mosquitoes including Aedes aegypti. Pregnant women with the Zika virus are at risk of having a fetus or infant with a congenital defect and suffering from microcephaly. Here, we formulate a Zika disease transmission model using two approaches, a deterministic model and a continuous-time Markov chain stochastic model. The basic reproduction ratio is constructed from a deterministic model. Meanwhile, the CTMC stochastic model yields an estimate of the probability of extinction and outbreaks of Zika disease. Dynamical simulations and analysis of the disease transmission are shown for the deterministic and stochastic models.

Distinguishing between stochasticity and determinism: Examples from cell cycle duration variability.

PubMed

Pearl Mizrahi, Sivan; Sandler, Oded; Lande-Diner, Laura; Balaban, Nathalie Q; Simon, Itamar

2016-01-01

We describe a recent approach for distinguishing between stochastic and deterministic sources of variability, focusing on the mammalian cell cycle. Variability between cells is often attributed to stochastic noise, although it may be generated by deterministic components. Interestingly, lineage information can be used to distinguish between variability and determinism. Analysis of correlations within a lineage of the mammalian cell cycle duration revealed its deterministic nature. Here, we discuss the sources of such variability and the possibility that the underlying deterministic process is due to the circadian clock. Finally, we discuss the "kicked cell cycle" model and its implication on the study of the cell cycle in healthy and cancerous tissues. © 2015 WILEY Periodicals, Inc.

The Thermoelectric Properties and Flexural Strength of Nano-TiN/Co4Sb11.3Te0.58Se0.12 Composites Affected by Annealing Treatment

NASA Astrophysics Data System (ADS)

Pengfei, Wen; Pengcheng, Zhai; Shijie, Ding; Bo, Duan; Yao, Li

2017-05-01

This paper is devoted to investigating the thermoelectric properties and flexural strength of the nano-TiN (1 vol.%) dispersed Co4Sb11.3Te0.58Se0.12 composites affected by different thermal annealing treatments at 773 K in a vacuum. After 200 h of annealing treatment, the density of the sample decreases by 4% compared with that before annealing. Moreover, the electrical conductivity and thermal conductivity decline because of the higher porosity in the annealed sample. However, the Seebeck coefficient changes little after annealing. As a result, the ZT value varies slightly after 200 h of annealing. In addition, it is noteworthy that the flexural strength decreases by 16% after 200 h of annealing treatment. Furthermore, the discrete degree of the flexural strength increases with increasing annealing time.

Laser annealing of ion implanted CZ silicon for solar cell junction formation

NASA Technical Reports Server (NTRS)

Katzeff, J. S.

1981-01-01

The merits of large spot size pulsed laser annealing of phosphorus implanted, Czochralski grown silicon for function formation of solar cells are evaluated. The feasibility and requirements are also determined to scale-up a laser system to anneal 7.62 cm diameter wafers at a rate of one wafer/second. Results show that laser annealing yields active, defect-free, shallow junction devices. Functional cells with AM 1 conversion efficiencies up to 15.4% for 2 x 2 cm and 2 x 4 cm sizes were attained. For larger cells, 7.62 cm dia., conversion efficiencies ranged up to 14.5%. Experiments showed that texture etched surfaces are not compatible with pulsed laser annealing due to the surface melting caused by the laser energy. When compared with furnace annealed cells, the laser annealed cells generally exhibited conversion efficiencies which were equal to or better than those furnace annealed. In addition, laser annealing has greater throughput potential.

Disentangling Mechanisms That Mediate the Balance Between Stochastic and Deterministic Processes in Microbial Succession

DOE PAGES

Dini-Andreote, Francisco; Stegen, James C.; van Elsas, Jan D.; ...

2015-03-17

Despite growing recognition that deterministic and stochastic factors simultaneously influence bacterial communities, little is known about mechanisms shifting their relative importance. To better understand underlying mechanisms, we developed a conceptual model linking ecosystem development during primary succession to shifts in the stochastic/deterministic balance. To evaluate the conceptual model we coupled spatiotemporal data on soil bacterial communities with environmental conditions spanning 105 years of salt marsh development. At the local scale there was a progression from stochasticity to determinism due to Na accumulation with increasing ecosystem age, supporting a main element of the conceptual model. At the regional-scale, soil organic mattermore » (SOM) governed the relative influence of stochasticity and the type of deterministic ecological selection, suggesting scale-dependency in how deterministic ecological selection is imposed. Analysis of a new ecological simulation model supported these conceptual inferences. Looking forward, we propose an extended conceptual model that integrates primary and secondary succession in microbial systems.« less

An efficient deterministic-probabilistic approach to modeling regional groundwater flow: 2. Application to Owens Valley, California

USGS Publications Warehouse

Guymon, Gary L.; Yen, Chung-Cheng

1990-01-01

The applicability of a deterministic-probabilistic model for predicting water tables in southern Owens Valley, California, is evaluated. The model is based on a two-layer deterministic model that is cascaded with a two-point probability model. To reduce the potentially large number of uncertain variables in the deterministic model, lumping of uncertain variables was evaluated by sensitivity analysis to reduce the total number of uncertain variables to three variables: hydraulic conductivity, storage coefficient or specific yield, and source-sink function. Results demonstrate that lumping of uncertain parameters reduces computational effort while providing sufficient precision for the case studied. Simulated spatial coefficients of variation for water table temporal position in most of the basin is small, which suggests that deterministic models can predict water tables in these areas with good precision. However, in several important areas where pumping occurs or the geology is complex, the simulated spatial coefficients of variation are over estimated by the two-point probability method.

An efficient deterministic-probabilistic approach to modeling regional groundwater flow: 2. Application to Owens Valley, California

NASA Astrophysics Data System (ADS)

Guymon, Gary L.; Yen, Chung-Cheng

1990-07-01

The applicability of a deterministic-probabilistic model for predicting water tables in southern Owens Valley, California, is evaluated. The model is based on a two-layer deterministic model that is cascaded with a two-point probability model. To reduce the potentially large number of uncertain variables in the deterministic model, lumping of uncertain variables was evaluated by sensitivity analysis to reduce the total number of uncertain variables to three variables: hydraulic conductivity, storage coefficient or specific yield, and source-sink function. Results demonstrate that lumping of uncertain parameters reduces computational effort while providing sufficient precision for the case studied. Simulated spatial coefficients of variation for water table temporal position in most of the basin is small, which suggests that deterministic models can predict water tables in these areas with good precision. However, in several important areas where pumping occurs or the geology is complex, the simulated spatial coefficients of variation are over estimated by the two-point probability method.

Statistics of Delta v magnitude for a trajectory correction maneuver containing deterministic and random components

NASA Technical Reports Server (NTRS)

Bollman, W. E.; Chadwick, C.

1982-01-01

A number of interplanetary missions now being planned involve placing deterministic maneuvers along the flight path to alter the trajectory. Lee and Boain (1973) examined the statistics of trajectory correction maneuver (TCM) magnitude with no deterministic ('bias') component. The Delta v vector magnitude statistics were generated for several values of random Delta v standard deviations using expansions in terms of infinite hypergeometric series. The present investigation uses a different technique (Monte Carlo simulation) to generate Delta v magnitude statistics for a wider selection of random Delta v standard deviations and also extends the analysis to the case of nonzero deterministic Delta v's. These Delta v magnitude statistics are plotted parametrically. The plots are useful in assisting the analyst in quickly answering questions about the statistics of Delta v magnitude for single TCM's consisting of both a deterministic and a random component. The plots provide quick insight into the nature of the Delta v magnitude distribution for the TCM.

Random sequential renormalization and agglomerative percolation in networks: application to Erdös-Rényi and scale-free graphs.

PubMed

Bizhani, Golnoosh; Grassberger, Peter; Paczuski, Maya

2011-12-01

We study the statistical behavior under random sequential renormalization (RSR) of several network models including Erdös-Rényi (ER) graphs, scale-free networks, and an annealed model related to ER graphs. In RSR the network is locally coarse grained by choosing at each renormalization step a node at random and joining it to all its neighbors. Compared to previous (quasi-)parallel renormalization methods [Song et al., Nature (London) 433, 392 (2005)], RSR allows a more fine-grained analysis of the renormalization group (RG) flow and unravels new features that were not discussed in the previous analyses. In particular, we find that all networks exhibit a second-order transition in their RG flow. This phase transition is associated with the emergence of a giant hub and can be viewed as a new variant of percolation, called agglomerative percolation. We claim that this transition exists also in previous graph renormalization schemes and explains some of the scaling behavior seen there. For critical trees it happens as N/N(0) → 0 in the limit of large systems (where N(0) is the initial size of the graph and N its size at a given RSR step). In contrast, it happens at finite N/N(0) in sparse ER graphs and in the annealed model, while it happens for N/N(0) → 1 on scale-free networks. Critical exponents seem to depend on the type of the graph but not on the average degree and obey usual scaling relations for percolation phenomena. For the annealed model they agree with the exponents obtained from a mean-field theory. At late times, the networks exhibit a starlike structure in agreement with the results of Radicchi et al. [Phys. Rev. Lett. 101, 148701 (2008)]. While degree distributions are of main interest when regarding the scheme as network renormalization, mass distributions (which are more relevant when considering "supernodes" as clusters) are much easier to study using the fast Newman-Ziff algorithm for percolation, allowing us to obtain very high statistics.

Simultaneous estimation of deterministic and fractal stochastic components in non-stationary time series

NASA Astrophysics Data System (ADS)

García, Constantino A.; Otero, Abraham; Félix, Paulo; Presedo, Jesús; Márquez, David G.

2018-07-01

In the past few decades, it has been recognized that 1 / f fluctuations are ubiquitous in nature. The most widely used mathematical models to capture the long-term memory properties of 1 / f fluctuations have been stochastic fractal models. However, physical systems do not usually consist of just stochastic fractal dynamics, but they often also show some degree of deterministic behavior. The present paper proposes a model based on fractal stochastic and deterministic components that can provide a valuable basis for the study of complex systems with long-term correlations. The fractal stochastic component is assumed to be a fractional Brownian motion process and the deterministic component is assumed to be a band-limited signal. We also provide a method that, under the assumptions of this model, is able to characterize the fractal stochastic component and to provide an estimate of the deterministic components present in a given time series. The method is based on a Bayesian wavelet shrinkage procedure that exploits the self-similar properties of the fractal processes in the wavelet domain. This method has been validated over simulated signals and over real signals with economical and biological origin. Real examples illustrate how our model may be useful for exploring the deterministic-stochastic duality of complex systems, and uncovering interesting patterns present in time series.

Automatic mesh adaptivity for hybrid Monte Carlo/deterministic neutronics modeling of difficult shielding problems

DOE PAGES

Ibrahim, Ahmad M.; Wilson, Paul P.H.; Sawan, Mohamed E.; ...

2015-06-30

The CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques dramatically increase the efficiency of neutronics modeling, but their use in the accurate design analysis of very large and geometrically complex nuclear systems has been limited by the large number of processors and memory requirements for their preliminary deterministic calculations and final Monte Carlo calculation. Three mesh adaptivity algorithms were developed to reduce the memory requirements of CADIS and FW-CADIS without sacrificing their efficiency improvement. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as muchmore » geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation and, additionally, increased the efficiency of the Monte Carlo simulation by a factor of at least 3.4. The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a regular computer cluster, eliminating the need for a world-class super computer.« less

Improving ground-penetrating radar data in sedimentary rocks using deterministic deconvolution

USGS Publications Warehouse

Xia, J.; Franseen, E.K.; Miller, R.D.; Weis, T.V.; Byrnes, A.P.

2003-01-01

Resolution is key to confidently identifying unique geologic features using ground-penetrating radar (GPR) data. Source wavelet "ringing" (related to bandwidth) in a GPR section limits resolution because of wavelet interference, and can smear reflections in time and/or space. The resultant potential for misinterpretation limits the usefulness of GPR. Deconvolution offers the ability to compress the source wavelet and improve temporal resolution. Unlike statistical deconvolution, deterministic deconvolution is mathematically simple and stable while providing the highest possible resolution because it uses the source wavelet unique to the specific radar equipment. Source wavelets generated in, transmitted through and acquired from air allow successful application of deterministic approaches to wavelet suppression. We demonstrate the validity of using a source wavelet acquired in air as the operator for deterministic deconvolution in a field application using "400-MHz" antennas at a quarry site characterized by interbedded carbonates with shale partings. We collected GPR data on a bench adjacent to cleanly exposed quarry faces in which we placed conductive rods to provide conclusive groundtruth for this approach to deconvolution. The best deconvolution results, which are confirmed by the conductive rods for the 400-MHz antenna tests, were observed for wavelets acquired when the transmitter and receiver were separated by 0.3 m. Applying deterministic deconvolution to GPR data collected in sedimentary strata at our study site resulted in an improvement in resolution (50%) and improved spatial location (0.10-0.15 m) of geologic features compared to the same data processed without deterministic deconvolution. The effectiveness of deterministic deconvolution for increased resolution and spatial accuracy of specific geologic features is further demonstrated by comparing results of deconvolved data with nondeconvolved data acquired along a 30-m transect immediately adjacent to a fresh quarry face. The results at this site support using deterministic deconvolution, which incorporates the GPR instrument's unique source wavelet, as a standard part of routine GPR data processing. ?? 2003 Elsevier B.V. All rights reserved.

Expansion or extinction: deterministic and stochastic two-patch models with Allee effects.

PubMed

Kang, Yun; Lanchier, Nicolas

2011-06-01

We investigate the impact of Allee effect and dispersal on the long-term evolution of a population in a patchy environment. Our main focus is on whether a population already established in one patch either successfully invades an adjacent empty patch or undergoes a global extinction. Our study is based on the combination of analytical and numerical results for both a deterministic two-patch model and a stochastic counterpart. The deterministic model has either two, three or four attractors. The existence of a regime with exactly three attractors only appears when patches have distinct Allee thresholds. In the presence of weak dispersal, the analysis of the deterministic model shows that a high-density and a low-density populations can coexist at equilibrium in nearby patches, whereas the analysis of the stochastic model indicates that this equilibrium is metastable, thus leading after a large random time to either a global expansion or a global extinction. Up to some critical dispersal, increasing the intensity of the interactions leads to an increase of both the basin of attraction of the global extinction and the basin of attraction of the global expansion. Above this threshold, for both the deterministic and the stochastic models, the patches tend to synchronize as the intensity of the dispersal increases. This results in either a global expansion or a global extinction. For the deterministic model, there are only two attractors, while the stochastic model no longer exhibits a metastable behavior. In the presence of strong dispersal, the limiting behavior is entirely determined by the value of the Allee thresholds as the global population size in the deterministic and the stochastic models evolves as dictated by their single-patch counterparts. For all values of the dispersal parameter, Allee effects promote global extinction in terms of an expansion of the basin of attraction of the extinction equilibrium for the deterministic model and an increase of the probability of extinction for the stochastic model.

In vitro behavior of MC3T3-E1 preosteoblast with different annealing temperature titania nanotubes.

PubMed

Yu, W Q; Zhang, Y L; Jiang, X Q; Zhang, F Q

2010-10-01

Titanium oxide nanotube layers by anodization have excellent potential for dental implants because of good bone cell promotion. It is necessary to evaluate osteoblast behavior on different annealing temperature titania nanotubes for actual implant designs.  Scanning Electron Microscopy, X-Ray polycrystalline Diffractometer (XRD), X-ray photoelectron Spectroscope, and Atomic Force Microscopy (AFM) were used to characterize the different annealing temperature titania nanotubes. Confocal laser scanning microscopy, MTT, and Alizarin Red-S staining were used to evaluate the MC3T3-E1 preosteoblast behavior on different annealing temperature nanotubes.  The tubular morphology was constant when annealed at 450°C and 550°C, but collapsed when annealed at 650°C. XRD exhibited the crystal form of nanotubes after formation (amorphous), after annealing at 450°C (anatase), and after annealing at 550°C (anatase/rutile). Annealing led to the complete loss of fluorine on nanotubes at 550°C. Average surface roughness of different annealing temperature nanotubes showed no difference by AFM analysis. The proliferation and mineralization of preostoblasts cultured on anatase or anatase/rutile nanotube layers were shown to be significantly higher than smooth, amorphous nanotube layers.  Annealing can change the crystal form and composition of nanotubes. The nanotubes after annealing can promote osteoblast proliferation and mineralization in vitro. © 2010 John Wiley & Sons A/S.

Influence of annealing temperature on the microstructure and magnetic properties of Ni/NiO core-shell nanowires

NASA Astrophysics Data System (ADS)

Xiang, Wenfeng; Liu, Yuan; Yao, Jiangfeng; Sun, Rui

2018-03-01

Ni/NiO core-shell nanowires (NWs) were synthesized by thermal annealing of Ni NWs and variations in the microstructure, surface morphology, and magnetic properties of the NWs as a function of annealing temperature were investigated. The results showed that the grain size and crystal quality of NiO increased with an increasing annealing temperature. Specially, the effect of annealing temperature was much greater than annealing time for the formation of Ni/NiO NWs during the oxidization process. The total weight gain of the Ni/NiO NWs continuously increased when the annealing temperature was lower than 400 °C and the annealing time was more than 2 h; however, the weight gain of the Ni/NiO NWs was almost constant after annealing for 40 min when the annealing temperature was higher than 500 °C. The thorns on the surface of the Ni/NiO NWs gradually passivated and magnetic properties declined when the annealing temperature was increased from 300 °C to 400 °C. Smooth Ni/NiO NWs with no magnetic properties were prepared when the annealing temperature was over 500 °C. The detail study regarding the formation and evolution of Ni/NiO NWs is of considerable value and may provide useful information regarding the choice of post-treatment parameters for different applications of Ni/NiO NWs.

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.

RNA Chaperone Activity of Human La Protein Is Mediated by Variant RNA Recognition Motif*

PubMed Central

Naeeni, Amir R.; Conte, Maria R.; Bayfield, Mark A.

2012-01-01

La proteins are conserved factors in eukaryotes that bind and protect the 3′ trailers of pre-tRNAs from exonuclease digestion via sequence-specific recognition of UUU-3′OH. La has also been hypothesized to assist pre-tRNAs in attaining their native fold through RNA chaperone activity. In addition to binding polymerase III transcripts, human La has also been shown to enhance the translation of several internal ribosome entry sites and upstream ORF-containing mRNA targets, also potentially through RNA chaperone activity. Using in vitro FRET-based assays, we show that human and Schizosaccharomyces pombe La proteins harbor RNA chaperone activity by enhancing RNA strand annealing and strand dissociation. We use various RNA substrates and La mutants to show that UUU-3′OH-dependent La-RNA binding is not required for this function, and we map RNA chaperone activity to its RRM1 motif including a noncanonical α3-helix. We validate the importance of this α3-helix by appending it to the RRM of the unrelated U1A protein and show that this fusion protein acquires significant strand annealing activity. Finally, we show that residues required for La-mediated RNA chaperone activity in vitro are required for La-dependent rescue of tRNA-mediated suppression via a mutated suppressor tRNA in vivo. This work delineates the structural elements required for La-mediated RNA chaperone activity and provides a basis for understanding how La can enhance the folding of its various RNA targets. PMID:22203678

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.

Estimating the epidemic threshold on networks by deterministic connections

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

Li, Kezan, E-mail: lkzzr@sohu.com; Zhu, Guanghu; Fu, Xinchu

2014-12-15

For many epidemic networks some connections between nodes are treated as deterministic, while the remainder are random and have different connection probabilities. By applying spectral analysis to several constructed models, we find that one can estimate the epidemic thresholds of these networks by investigating information from only the deterministic connections. Nonetheless, in these models, generic nonuniform stochastic connections and heterogeneous community structure are also considered. The estimation of epidemic thresholds is achieved via inequalities with upper and lower bounds, which are found to be in very good agreement with numerical simulations. Since these deterministic connections are easier to detect thanmore » those stochastic connections, this work provides a feasible and effective method to estimate the epidemic thresholds in real epidemic networks.« less

Experimental demonstration on the deterministic quantum key distribution based on entangled photons.

PubMed

Chen, Hua; Zhou, Zhi-Yuan; Zangana, Alaa Jabbar Jumaah; Yin, Zhen-Qiang; Wu, Juan; Han, Yun-Guang; Wang, Shuang; Li, Hong-Wei; He, De-Yong; Tawfeeq, Shelan Khasro; Shi, Bao-Sen; Guo, Guang-Can; Chen, Wei; Han, Zheng-Fu

2016-02-10

As an important resource, entanglement light source has been used in developing quantum information technologies, such as quantum key distribution(QKD). There are few experiments implementing entanglement-based deterministic QKD protocols since the security of existing protocols may be compromised in lossy channels. In this work, we report on a loss-tolerant deterministic QKD experiment which follows a modified "Ping-Pong"(PP) protocol. The experiment results demonstrate for the first time that a secure deterministic QKD session can be fulfilled in a channel with an optical loss of 9 dB, based on a telecom-band entangled photon source. This exhibits a conceivable prospect of ultilizing entanglement light source in real-life fiber-based quantum communications.

Experimental demonstration on the deterministic quantum key distribution based on entangled photons

PubMed Central

Chen, Hua; Zhou, Zhi-Yuan; Zangana, Alaa Jabbar Jumaah; Yin, Zhen-Qiang; Wu, Juan; Han, Yun-Guang; Wang, Shuang; Li, Hong-Wei; He, De-Yong; Tawfeeq, Shelan Khasro; Shi, Bao-Sen; Guo, Guang-Can; Chen, Wei; Han, Zheng-Fu

2016-01-01

As an important resource, entanglement light source has been used in developing quantum information technologies, such as quantum key distribution(QKD). There are few experiments implementing entanglement-based deterministic QKD protocols since the security of existing protocols may be compromised in lossy channels. In this work, we report on a loss-tolerant deterministic QKD experiment which follows a modified “Ping-Pong”(PP) protocol. The experiment results demonstrate for the first time that a secure deterministic QKD session can be fulfilled in a channel with an optical loss of 9 dB, based on a telecom-band entangled photon source. This exhibits a conceivable prospect of ultilizing entanglement light source in real-life fiber-based quantum communications. PMID:26860582

Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO3 Thin Films.

PubMed

Damodaran, Anoop R; Pandya, Shishir; Agar, Josh C; Cao, Ye; Vasudevan, Rama K; Xu, Ruijuan; Saremi, Sahar; Li, Qian; Kim, Jieun; McCarter, Margaret R; Dedon, Liv R; Angsten, Tom; Balke, Nina; Jesse, Stephen; Asta, Mark; Kalinin, Sergei V; Martin, Lane W

2017-10-01

Leveraging competition between energetically degenerate states to achieve large field-driven responses is a hallmark of functional materials, but routes to such competition are limited. Here, a new route to such effects involving domain-structure competition is demonstrated, which arises from strain-induced spontaneous partitioning of PbTiO 3 thin films into nearly energetically degenerate, hierarchical domain architectures of coexisting c/a and a 1 /a 2 domain structures. Using band-excitation piezoresponse force microscopy, this study manipulates and acoustically detects a facile interconversion of different ferroelastic variants via a two-step, three-state ferroelastic switching process (out-of-plane polarized c + → in-plane polarized a → out-of-plane polarized c - state), which is concomitant with large nonvolatile electromechanical strains (≈1.25%) and tunability of the local piezoresponse and elastic modulus (>23%). It is further demonstrated that deterministic, nonvolatile writing/erasure of large-area patterns of this electromechanical response is possible, thus showing a new pathway to improved function and properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO 3 Thin Films

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

Damodaran, Anoop R.; Pandya, Shishir; Agar, Josh C.

Leveraging competition between energetically degenerate states to achieve large field-driven responses is a hallmark of functional materials, but routes to such competition are limited. Here, a new route to such effects involving domain-structure competition is demonstrated, which arises from straininduced spontaneous partitioning of PbTiO 3 thin films into nearly energetically degenerate, hierarchical domain architectures of coexisting c/a and a 1/a 2 domain structures. Using band-excitation piezoresponse force microscopy, this study manipulates and acoustically detects a facile interconversion of different ferroelastic variants via a two-step, three-state ferroelastic switching process (out-of-plane polarized c+ → in-plane polarized a → out-of-plane polarized c- state),more » which is concomitant with large nonvolatile electromechanical strains (≈1.25%) and tunability of the local piezoresponse and elastic modulus (>23%). It is further demonstrated that deterministic, nonvolatile writing/erasure of large-area patterns of this electromechanical response is possible, thus showing a new pathway to improved function and properties.« less

Matching nuts and bolts in O(n log n) time

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

Komlos, J.; Ma, Yuan; Szemeredi, E.

Given a set of n nuts of distinct widths and a set of n bolts such that each nut corresponds to a unique bolt of the same width, how should we match every nut with its corresponding bolt by comparing nuts with bolts (no comparison is allowed between two nuts or between two bolts)? The problem can be naturally viewed as a variant of the classic sorting problem as follows. Given two lists of n numbers each such that one list is a permutation of the other, how should we sort the lists by comparisons only between numbers in differentmore » lists? We give an O(n log n)-time deterministic algorithm for the problem. This is optimal up to a constant factor and answers an open question posed by Alon, Blum, Fiat, Kannan, Naor, and Ostrovsky. Moreover, when copies of nuts and bolts are allowed, our algorithm runs in optimal O(log n) time on n processors in Valiant`s parallel comparison tree model. Our algorithm is based on the AKS sorting algorithm with substantial modifications.« less

Advances in the computation of the Sjöstrand, Rossi, and Feynman distributions

DOE PAGES

Talamo, A.; Gohar, Y.; Gabrielli, F.; ...

2017-02-01

This study illustrates recent computational advances in the application of the Sjöstrand (area), Rossi, and Feynman methods to estimate the effective multiplication factor of a subcritical system driven by an external neutron source. The methodologies introduced in this study have been validated with the experimental results from the KUKA facility of Japan by Monte Carlo (MCNP6 and MCNPX) and deterministic (ERANOS, VARIANT, and PARTISN) codes. When the assembly is driven by a pulsed neutron source generated by a particle accelerator and delayed neutrons are at equilibrium, the Sjöstrand method becomes extremely fast if the integral of the reaction rate frommore » a single pulse is split into two parts. These two integrals distinguish between the neutron counts during and after the pulse period. To conclude, when the facility is driven by a spontaneous fission neutron source, the timestamps of the detector neutron counts can be obtained up to the nanosecond precision using MCNP6, which allows obtaining the Rossi and Feynman distributions.« less

Joint passive radar tracking and target classification using radar cross section

NASA Astrophysics Data System (ADS)

Herman, Shawn M.

2004-01-01

We present a recursive Bayesian solution for the problem of joint tracking and classification of airborne targets. In our system, we allow for complications due to multiple targets, false alarms, and missed detections. More importantly, though, we utilize the full benefit of a joint approach by implementing our tracker using an aerodynamically valid flight model that requires aircraft-specific coefficients such as wing area and vehicle mass, which are provided by our classifier. A key feature that bridges the gap between tracking and classification is radar cross section (RCS). By modeling the true deterministic relationship that exists between RCS and target aspect, we are able to gain both valuable class information and an estimate of target orientation. However, the lack of a closed-form relationship between RCS and target aspect prevents us from using the Kalman filter or its variants. Instead, we rely upon a sequential Monte Carlo-based approach known as particle filtering. In addition to allowing us to include RCS as a measurement, the particle filter also simplifies the implementation of our nonlinear non-Gaussian flight model.

Joint passive radar tracking and target classification using radar cross section

NASA Astrophysics Data System (ADS)

Herman, Shawn M.

2003-12-01

We present a recursive Bayesian solution for the problem of joint tracking and classification of airborne targets. In our system, we allow for complications due to multiple targets, false alarms, and missed detections. More importantly, though, we utilize the full benefit of a joint approach by implementing our tracker using an aerodynamically valid flight model that requires aircraft-specific coefficients such as wing area and vehicle mass, which are provided by our classifier. A key feature that bridges the gap between tracking and classification is radar cross section (RCS). By modeling the true deterministic relationship that exists between RCS and target aspect, we are able to gain both valuable class information and an estimate of target orientation. However, the lack of a closed-form relationship between RCS and target aspect prevents us from using the Kalman filter or its variants. Instead, we rely upon a sequential Monte Carlo-based approach known as particle filtering. In addition to allowing us to include RCS as a measurement, the particle filter also simplifies the implementation of our nonlinear non-Gaussian flight model.

Dynamic and adaptive policy models for coalition operations

NASA Astrophysics Data System (ADS)

Verma, Dinesh; Calo, Seraphin; Chakraborty, Supriyo; Bertino, Elisa; Williams, Chris; Tucker, Jeremy; Rivera, Brian; de Mel, Geeth R.

2017-05-01

It is envisioned that the success of future military operations depends on the better integration, organizationally and operationally, among allies, coalition members, inter-agency partners, and so forth. However, this leads to a challenging and complex environment where the heterogeneity and dynamism in the operating environment intertwines with the evolving situational factors that affect the decision-making life cycle of the war fighter. Therefore, the users in such environments need secure, accessible, and resilient information infrastructures where policy-based mechanisms adopt the behaviours of the systems to meet end user goals. By specifying and enforcing a policy based model and framework for operations and security which accommodates heterogeneous coalitions, high levels of agility can be enabled to allow rapid assembly and restructuring of system and information resources. However, current prevalent policy models (e.g., rule based event-condition-action model and its variants) are not sufficient to deal with the highly dynamic and plausibly non-deterministic nature of these environments. Therefore, to address the above challenges, in this paper, we present a new approach for policies which enables managed systems to take more autonomic decisions regarding their operations.

GPU-accelerated Tersoff potentials for massively parallel Molecular Dynamics simulations

NASA Astrophysics Data System (ADS)

Nguyen, Trung Dac

2017-03-01

The Tersoff potential is one of the empirical many-body potentials that has been widely used in simulation studies at atomic scales. Unlike pair-wise potentials, the Tersoff potential involves three-body terms, which require much more arithmetic operations and data dependency. In this contribution, we have implemented the GPU-accelerated version of several variants of the Tersoff potential for LAMMPS, an open-source massively parallel Molecular Dynamics code. Compared to the existing MPI implementation in LAMMPS, the GPU implementation exhibits a better scalability and offers a speedup of 2.2X when run on 1000 compute nodes on the Titan supercomputer. On a single node, the speedup ranges from 2.0 to 8.0 times, depending on the number of atoms per GPU and hardware configurations. The most notable features of our GPU-accelerated version include its design for MPI/accelerator heterogeneous parallelism, its compatibility with other functionalities in LAMMPS, its ability to give deterministic results and to support both NVIDIA CUDA- and OpenCL-enabled accelerators. Our implementation is now part of the GPU package in LAMMPS and accessible for public use.

The annealing investigation on morphology and photoluminescence properties of In2O3 1-D nanostructures in resistive evaporation mechanism

NASA Astrophysics Data System (ADS)

Shariati, Mohsen; Ghafouri, Vahid

2014-02-01

Synthesis of In2O3 nanostructures grown on Si substrate by the resistive evaporation of metallic indium granules followed by dry oxidation process has been articulated. To prepare nucleation growth sites, selected samples pre-annealed around indium melting point in free-oxygen atmosphere and then to fabricate 1-D nanostructures, they annealed in a horizontal thermal furnace in presence of argon and oxygen. For comparison, one sample, the same origin as initially pre-annealed samples, was excluded in pre-annealing process but presented in annealing step. Characterization of the products with FESEM revealed that the pre-annealed obtained nanostructures are mostly nanorod and nanowire with different morphologies. For the comparative sample, no 1-D structures achieved. X-ray diffraction (XRD) patterns for pre-annealed samples indicated that they are crystalline and the comparative one is polycrystalline. Photoluminescence (PL) measurements carried out at room temperature revealed that emission band shifted to shorter wavelength from pre-annealed samples to comparative one.

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.

Microstructure and Magnetic Properties of Optimally Annealed Ni43Mn41Co5Sn11Heusler Alloy

NASA Astrophysics Data System (ADS)

Elwindari, Nastiti; Kurniawan, Budhy; Kurniawan, Candra; Manaf, Azwar

2017-05-01

In this work, synthesis and characterization of a polycrystalline Ni43Mn41Co5Sn11 (NMCS) alloy are reported. Alloy preparation was conducted by melting the constituent components of the designated alloy under an inert Argon (Ar) atmosphere in a vacuum mini arc-melting furnace. Microstructure observation to the as-cast and annealed ingots showing dendritic structure in the as-cast sample. Series of annealing treatment to the sample at 1173 K have changed dendrites progressively in the homogeneous structure after 24 hours annealing time. The annealed sample consisted of a NiMnCoSn main phase with 99.3 % volume fraction. Hence, the 24 hours annealed ingot is a single phase alloy. The curie temperature of the annealed NMCS alloys was found in the range 348∼351 K. Loop hysteresis evaluation of the annealed ingots showed that ingot which annealed for 12 hours showed the largest magnetization value of 57.96 emu/g.

X-ray Diffraction Investigation of Annealing Behavior of Peened Surface Deformation Layer on Precipitation Hardening Stainless Steel

NASA Astrophysics Data System (ADS)

Huang, Junjie; Wang, Zhou; Gan, Jin; Yang, Ying; Huang, Feng; Wu, Gang; Meng, Qingshuai

2018-05-01

In order to investigate the recrystallization behavior of peened surface deformation layer of precipitation hardening stainless steel, a classic x-ray diffraction line profile analysis, Voigt method, was carried out on peened 17-4PH with different isothermal annealing temperatures. The activation energy of domain boundary migration ( Q a) and the activation energy of microstrain relaxation ( Q b) were calculated by regression analysis in different annealing temperature conditions. The results show that the value of Q a decreases with annealing temperature increasing, which is due to the influence of precipitation (ɛ-Cu) size on the movements of grain and subgrain boundaries. The maximum growth rate of ɛ-Cu particles occurs during 400 to 500 °C interval. Compared with growth behavior of domain size, microstrain relaxation behavior is less sensitive to precipitation particle size. The effects of annealing temperature and time on dislocation density are both significant when annealing temperature is lower than 500 °C. However, the effect of annealing temperature on dislocation density becomes insignificant when annealing temperature is higher than 500 °C. 300 °C annealing temperature only leads to the microstrain relaxation but nearly cannot lead to the domain size growth even if prolonging annealing time. Microstructure enhancement effect still exists in plastic deformation layer when 300 °C annealing temperature lasts for 60 min but nearly disappears when 600 °C annealing temperature lasts for 20 min.

X-ray Diffraction Investigation of Annealing Behavior of Peened Surface Deformation Layer on Precipitation Hardening Stainless Steel

NASA Astrophysics Data System (ADS)

Huang, Junjie; Wang, Zhou; Gan, Jin; Yang, Ying; Huang, Feng; Wu, Gang; Meng, Qingshuai

2018-04-01

In order to investigate the recrystallization behavior of peened surface deformation layer of precipitation hardening stainless steel, a classic x-ray diffraction line profile analysis, Voigt method, was carried out on peened 17-4PH with different isothermal annealing temperatures. The activation energy of domain boundary migration (Q a) and the activation energy of microstrain relaxation (Q b) were calculated by regression analysis in different annealing temperature conditions. The results show that the value of Q a decreases with annealing temperature increasing, which is due to the influence of precipitation (ɛ-Cu) size on the movements of grain and subgrain boundaries. The maximum growth rate of ɛ-Cu particles occurs during 400 to 500 °C interval. Compared with growth behavior of domain size, microstrain relaxation behavior is less sensitive to precipitation particle size. The effects of annealing temperature and time on dislocation density are both significant when annealing temperature is lower than 500 °C. However, the effect of annealing temperature on dislocation density becomes insignificant when annealing temperature is higher than 500 °C. 300 °C annealing temperature only leads to the microstrain relaxation but nearly cannot lead to the domain size growth even if prolonging annealing time. Microstructure enhancement effect still exists in plastic deformation layer when 300 °C annealing temperature lasts for 60 min but nearly disappears when 600 °C annealing temperature lasts for 20 min.

Effect of low-temperature annealing on the creep of 1570 aluminum alloy

NASA Astrophysics Data System (ADS)

Perevezentsev, V. N.; Shcherban', M. Yu.; Gracheva, T. A.; Kuz'micheva, T. A.

2015-08-01

The effect of preliminary low-temperature annealing on the creep of a submicrocrystalline 1570 aluminum alloy fabricated by severe plastic deformation is studied. The creep rate is found to increase with the annealing time, but long-term annealing for 4 h decreases the creep rate to the value characteristic of the alloy not subjected to preliminary annealing. The increase in the creep rate of the alloy subjected to preliminary annealing is likely to be caused by an increase in the nonequilibrium excess volume in grain boundaries as a result of the dissolution of grain-boundary nanopores upon annealing and, hence, by an increase in the grain-boundary diffusion rate and the grain-boundary sliding rate.

Characterization of normality of chaotic systems including prediction and detection of anomalies

NASA Astrophysics Data System (ADS)

Engler, Joseph John

Accurate prediction and control pervades domains such as engineering, physics, chemistry, and biology. Often, it is discovered that the systems under consideration cannot be well represented by linear, periodic nor random data. It has been shown that these systems exhibit deterministic chaos behavior. Deterministic chaos describes systems which are governed by deterministic rules but whose data appear to be random or quasi-periodic distributions. Deterministically chaotic systems characteristically exhibit sensitive dependence upon initial conditions manifested through rapid divergence of states initially close to one another. Due to this characterization, it has been deemed impossible to accurately predict future states of these systems for longer time scales. Fortunately, the deterministic nature of these systems allows for accurate short term predictions, given the dynamics of the system are well understood. This fact has been exploited in the research community and has resulted in various algorithms for short term predictions. Detection of normality in deterministically chaotic systems is critical in understanding the system sufficiently to able to predict future states. Due to the sensitivity to initial conditions, the detection of normal operational states for a deterministically chaotic system can be challenging. The addition of small perturbations to the system, which may result in bifurcation of the normal states, further complicates the problem. The detection of anomalies and prediction of future states of the chaotic system allows for greater understanding of these systems. The goal of this research is to produce methodologies for determining states of normality for deterministically chaotic systems, detection of anomalous behavior, and the more accurate prediction of future states of the system. Additionally, the ability to detect subtle system state changes is discussed. The dissertation addresses these goals by proposing new representational techniques and novel prediction methodologies. The value and efficiency of these methods are explored in various case studies. Presented is an overview of chaotic systems with examples taken from the real world. A representation schema for rapid understanding of the various states of deterministically chaotic systems is presented. This schema is then used to detect anomalies and system state changes. Additionally, a novel prediction methodology which utilizes Lyapunov exponents to facilitate longer term prediction accuracy is presented and compared with other nonlinear prediction methodologies. These novel methodologies are then demonstrated on applications such as wind energy, cyber security and classification of social networks.

Local Resistance Profiling of Ultra-Shallow Junction with Spike Lamp and Laser Annealing Using Scanning Spreading Resistance Microscopy

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

Abo, Satoshi; Tanaka, Yuji; Nishikawa, Kazuhisa

2008-11-03

Local resistance profiles of ultra-shallow arsenic implanted into silicon with an energy of 3.5 keV and a dose of 1.2x10{sup 15} ions/cm{sup 2} activated by conventional spike lamp and laser annealing were measured by SSRM in a nitrogen atmosphere with a depth resolution of less than 10 nm for investigating the combination of the conventional spike lamp and laser annealing. Spike lamp annealing at 1050 deg. C followed by laser annealing at a power density of 0.42 kW/mm{sup 2} was found to give the lowest sheet resistance. The resistance profiles obtained by SSRM also indicated the lowest resistance for themore » sample after spike lamp annealing at 1050 deg. C followed by laser annealing with a power density of 0.42 kW/mm{sup 2}. Laser annealing alone with a power density of 0.42 kW/mm{sup 2} resulted in the higher sheet resistance, though the shallower resistance profile could be obtained. Spike lamp annealing followed by laser annealing procedures are effective in activating shallow arsenic profiles.« less

Studying hardness, workability and minimum bending radius in selectively laser-sintered Ti–6Al–4V alloy samples

NASA Astrophysics Data System (ADS)

Galkina, N. V.; Nosova, Y. A.; Balyakin, A. V.

2018-03-01

This research is relevant as it tries to improve the mechanical and service performance of the Ti–6Al–4V titanium alloy obtained by selective laser sintering. For that purpose, sintered samples were annealed at 750 and 850°C for an hour. Sintered and annealed samples were tested for hardness, workability and microstructure. It was found that incomplete annealing of selectively laser-sintered Ti–6Al–4V samples results in an insignificant reduction in hardness and ductility. Sintered and incompletely annealed samples had a hardness of 32..33 HRC, which is lower than the value of annealed parts specified in standards. Complete annealing at temperature 850°C reduces the hardness to 25 HRC and ductility by 15...20%. Incomplete annealing lowers the ductility factor from 0.08 to 0.06. Complete annealing lowers that value to 0.025. Complete annealing probably results in the embrittlement of sintered samples, perhaps due to their oxidation and hydrogenation in the air. Optical metallography showed lateral fractures in both sintered and annealed samples, which might be the reason why they had lower hardness and ductility.

Correlating shaped charge performance with processing conditions and microstructure of an aluminum alloy 1100 liner enabled by a new method to arrest nascent jet formation

NASA Astrophysics Data System (ADS)

Scheid, James Eric

Aluminum-lined shaped charges are used in special applications where jet and / or slug residue in the target is undesired. The three different microstructures of the aluminum liners studied herein resulted from three different manufacturing interpretations of the same design. One interpretation was completely machining the liners from best available annealed round stock. The second was to cold-forge the liners from annealed round-stock in an open-die forge to near-final dimensions, and then machine the liners to the final dimensions. The third variant in this study was to use the above forged liner, but with annealing after the machining. These three manufacturing choices resulted in significant variations in shaped charge performance. The goal of this research was to clarify the relationships between the liner metal microstructure and properties, and the corresponding shaped charge dynamic flow behavior. What began as an investigation into user-reported performance problems associated inherently with liner manufacturing processes and resultant microstructure, resolved into new understandings of the relationships between aluminum liner microstructure and shaped charge collapse kinetics. This understanding was achieved through an extensive literature review and the comprehensive characterization of the material properties of three variants of an 1100 aluminum shaped charge liner with a focus on collapse and nascent jet formation. The machined liner had a microstructure with large millimeter-sized grains and fine particles aligned in bands parallel to the charge axis. The forged liner microstructure consisted of very small one micrometer-sized (1 mum) subgrains and fine particles aligned largely in bands elongated parallel to the liner contour. The annealed liner was characterized by ten micrometer (10 mum) sized equiaxed grains with residual fine particles in the forged alignment. This characterization was enabled by the development, execution and validation of a custom explosive experiment that delivered meaningful, full-scale shock deformed samples for analysis. The experiment arrested the collapse of actual, as-fabricated liners in the first microseconds of development. This experiment, performed with only 2% of the explosive mass of the full charge, revealed new insights into material-dependent variations in liner collapse including a striking image of the formation of a shaped charge jet axial hole. The highly strain-hardened and elongated forged liner was the best performer of the three. Less energy from the explosive was dissipated by dislocation generation. This translated to more efficient flow whereas the softer materials behaved as shock absorbers delaying flow. A set of hypotheses was formulated and critiqued based on these observations. The key findings were the effects of grain size, and shear bands induced in the microstructure through cold work enabled efficient liner flow. These bands provide highly localized dislocation highways enabling the matrix adjacent to the bands to deform plastically at higher velocity. Where such bands are unavailable, the pressure must first develop bands of smaller grains, thus decreasing energy available for flow. Collapse velocities were then associated with the number of shear bands, the organization of mobile dislocations, material strain, and liner geometry. Microstructures with the ability to deform with the direction of liner collapse at lower stresses will form jets with a higher velocity and elongate earlier. The effect is higher performance at shorter standoffs. This relationship can be used to predict material behavior under explosive load, guiding engineering choices while designing with respect to anticipated shock loading. The explosive experiment designed here has obvious application in refining the performance of other warheads, and in the hydrodynamic modeling of material properties.

Control of O-H bonds at a-IGZO/SiO2 interface by long time thermal annealing for highly stable oxide TFT

NASA Astrophysics Data System (ADS)

Jeon, Jae Kwon; Um, Jae Gwang; Lee, Suhui; Jang, Jin

2017-12-01

We report two-step annealing, high temperature and sequent low temperature, for amorphous indium-gallium-zinc-oxide (a-IGZO) thin-film transistor (TFT) to improve its stability and device performance. The annealing is carried out at 300 oC in N2 ambient for 1 h (1st step annealing) and then at 250 oC in vacuum for 10 h (2nd step annealing). It is found that the threshold voltage (VTH) changes from 0.4 V to -2.0 V by the 1st step annealing and to +0.6 V by 2nd step annealing. The mobility changes from 18 cm2V-1s-1 to 25 cm2V-1s-1 by 1st step and decreases to 20 cm2V-1s-1 by 2nd step annealing. The VTH shift by positive bias temperature stress (PBTS) is 3.7 V for the as-prepared TFT, and 1.7 V for the 1st step annealed TFT, and 1.3 V for the 2nd step annealed TFT. The XPS (X-ray photoelectron spectroscopy) depth analysis indicates that the reduction in O-H bonds at the top interface (SiO2/a-IGZO) by 2nd step annealing appears, which is related to the positive VTH shift and smaller VTH shift by PBTS.

Influence of oxygen annealing on the dielectric properties of SrBi2(V0.1Nb0.9)2O9 ceramics

NASA Astrophysics Data System (ADS)

Wu, Y.; Forbess, M.; Seraji, S.; Limmer, S.; Chou, T.; Cao, G. Z.

2001-09-01

The influences of O2 and N2 annealing on the dielectric properties of SrBi2(V0.1Nb0.9)2O9 (SBVN) ferroelectrics were studied. Ceramic samples were prepared by reaction sintering a powder mixture of constituent oxides at 950 °C for 2 h in air. Some samples were also subsequently annealed at 800 °C for 3 h in O2 or N2. With O2 annealing, the Curie point of the SBVN ferroelectrics changed from ~433 to ~438 °C and the peak dielectric constant increased from ~760 to ~1010 (at 100 kHz). However, no change in the Curie point was found with N2 annealing. Furthermore, O2 annealing was found to reduce significantly both the dielectric constant and loss tangent of the SBVN ferroelectrics at frequencies below 1000 Hz. XRD results revealed a small reduction in the lattice constants with O2 annealing, but no appreciable change with N2 annealing. In addition, no detectable change in the microstructure of the SBVN samples was found with annealing. These results imply that some V4+ ions, which are compensated by the formation of oxygen vacancies, existed in the SBVN ferroelectrics prior to O2 annealing. V4+ ions were oxidized to V5+ with O2 annealing, which resulted in improved dielectric properties.

Improvement on the electrical characteristics of Pd/HfO2/6H-SiC MIS capacitors using post deposition annealing and post metallization annealing

NASA Astrophysics Data System (ADS)

Esakky, Papanasam; Kailath, Binsu J.

2017-08-01

HfO2 as a gate dielectric enables high electric field operation of SiC MIS structure and as gas sensor HfO2/SiC capacitors offer higher sensitivity than SiO2/SiC capacitors. The issue of higher density of oxygen vacancies and associated higher leakage current necessitates better passivation of HfO2/SiC interface. Effect of post deposition annealing in N2O plasma and post metallization annealing in forming gas on the structural and electrical characteristics of Pd/HfO2/SiC MIS capacitors are reported in this work. N2O plasma annealing suppresses crystallization during high temperature annealing thereby improving the thermal stability and plasma annealing followed by rapid thermal annealing in N2 result in formation of Hf silicate at the HfO2/SiC interface resulting in order of magnitude lower density of interface states and gate leakage current. Post metallization annealing in forming gas for 40 min reduces interface state density by two orders while gate leakage current density is reduced by thrice. Post deposition annealing in N2O plasma and post metallization annealing in forming gas are observed to be effective passivation techniques improving the electrical characteristics of HfO2/SiC capacitors.

Remarkably improved field emission of TiO{sub 2} nanotube arrays by annealing atmosphere engineering

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

Liao, Ai-Zhen; Wang, Cheng-Wei, E-mail: cwwang@nwnu.edu.cn; Chen, Jian-Biao

2015-10-15

Highlights: • TNAs were prepared by anodization and annealed in different atmospheres. • The crystal structure and electronic properties of the prepared TNAs were investigated. • The field emission of TNAs was highly dependent on annealing atmosphere. • A low turn-on of 2.44 V/μm was obtained for TNAs annealed in H{sub 2} atmosphere. - Abstract: Highly ordered TiO{sub 2} nanotube arrays (TNAs) were prepared by anodization, and followed by annealing in the atmospheres of Air, Vacuum, Ar, and H{sub 2}. The effect of annealing atmosphere on the crystal structure, composition, and electronic properties of TNAs were systematically investigated. Raman andmore » EDS results indicated that the TNAs annealed in anaerobic atmospheres contained more oxygen vacancies, which result in the substantially improved electron transport properties and reduced work function. Moreover, it was found that the FE properties of TNAs were highly dependent on the annealing atmosphere. By engineering the annealing atmosphere, the turn-on field as low as 2.44 V/μm can be obtained from TNAs annealed in H{sub 2}, which was much lower than the value of 18.23 V/μm from the TNAs annealed in the commonly used atmosphere of Air. Our work suggests an instructive and attractive way to fabricate high performance TNAs field emitters.« less

Enhancing performance and uniformity of CH3NH3PbI3-xClx perovskite solar cells by air-heated-oven assisted annealing under various humidities

NASA Astrophysics Data System (ADS)

Zhou, Qing; Jin, Zhiwen; Li, Hui; Wang, Jizheng

2016-02-01

To fabricate high-performance metal-halide perovskite solar cells, a thermal annealing process is indispensable in preparing high quality perovskite film. And usually such annealing is performed on hot plate. However hot-plate annealing could cause problems such as inhomogeneous heating (induced by non-tight contact between the sample and the plate), it is also not fit for large scale manufactory. In this paper, we conduct the annealing process in air-heated oven under various humidity environments, and compared the resulted films (CH3NH3PbI3-xClx) and devices (Al/PC61BM/CH3NH3PbI3-xClx/PEDOT:PSS/ITO/glass) with that obtained via hot-plate annealing. It is found that the air-heated-oven annealing is superior to the hot-plate annealing: the annealing time is shorter, the films are more uniform, and the devices exhibit higher power conversion efficiency and better uniformity. The highest efficiencies achieved for the oven and hot-plate annealing processes are 14.9% and 13.5%, and the corresponding standard deviations are 0.5% and 0.8%, respectively. Our work here indicates that air-heated-oven annealing could be a more reliable and more efficient way for both lab research and large-scale production.

Controllability of Deterministic Networks with the Identical Degree Sequence

PubMed Central

Ma, Xiujuan; Zhao, Haixing; Wang, Binghong

2015-01-01

Controlling complex network is an essential problem in network science and engineering. Recent advances indicate that the controllability of complex network is dependent on the network's topology. Liu and Barabási, et.al speculated that the degree distribution was one of the most important factors affecting controllability for arbitrary complex directed network with random link weights. In this paper, we analysed the effect of degree distribution to the controllability for the deterministic networks with unweighted and undirected. We introduce a class of deterministic networks with identical degree sequence, called (x,y)-flower. We analysed controllability of the two deterministic networks ((1, 3)-flower and (2, 2)-flower) by exact controllability theory in detail and give accurate results of the minimum number of driver nodes for the two networks. In simulation, we compare the controllability of (x,y)-flower networks. Our results show that the family of (x,y)-flower networks have the same degree sequence, but their controllability is totally different. So the degree distribution itself is not sufficient to characterize the controllability of deterministic networks with unweighted and undirected. PMID:26020920

Inverse kinematic problem for a random gradient medium in geometric optics approximation

NASA Astrophysics Data System (ADS)

Petersen, N. V.

1990-03-01

Scattering at random inhomogeneities in a gradient medium results in systematic deviations of the rays and travel times of refracted body waves from those corresponding to the deterministic velocity component. The character of the difference depends on the parameters of the deterministic and random velocity component. However, at great distances to the source, independently of the velocity parameters (weakly or strongly inhomogeneous medium), the most probable depth of the ray turning point is smaller than that corresponding to the deterministic velocity component, the most probable travel times also being lower. The relative uncertainty in the deterministic velocity component, derived from the mean travel times using methods developed for laterally homogeneous media (for instance, the Herglotz-Wiechert method), is systematic in character, but does not exceed the contrast of velocity inhomogeneities by magnitude. The gradient of the deterministic velocity component has a significant effect on the travel-time fluctuations. The variance at great distances to the source is mainly controlled by shallow inhomogeneities. The travel-time flucutations are studied only for weakly inhomogeneous media.

Rapid preparation of solution-processed InGaZnO thin films by microwave annealing and photoirradiation

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

Cheong, Heajeong; Ogura, Shintaro; Ushijima, Hirobumi

We fabricated solution-processed indium–gallium–zinc oxide (IGZO) thin-film transistors (TFTs) by microwave (MW) annealing an IGZO precursor film followed by irradiating with vacuum ultraviolet (VUV) light. MW annealing allows more rapid heating of the precursor film than conventional annealing processes using a hot plate or electric oven and promotes the crystallization of IGZO. VUV irradiation was used to reduce the duration and temperature of the post-annealing step. Consequently, the IGZO TFTs fabricated through MW annealing for 5 min and VUV irradiation for 1 min exhibited an on/off current ratio of 10{sup 8} and a field-effect mobility of 0.3 cm{sup 2} V{sup −1} s{supmore » −1}. These results indicate that MW annealing and photoirradiation is an effective combination for annealing solution processed IGZO precursor films to prepare the semiconductor layers of TFTs.« less

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.

Performance of Quantum Annealers on Hard Scheduling Problems

NASA Astrophysics Data System (ADS)

Pokharel, Bibek; Venturelli, Davide; Rieffel, Eleanor

Quantum annealers have been employed to attack a variety of optimization problems. We compared the performance of the current D-Wave 2X quantum annealer to that of the previous generation D-Wave Two quantum annealer on scheduling-type planning problems. Further, we compared the effect of different anneal times, embeddings of the logical problem, and different settings of the ferromagnetic coupling JF across the logical vertex-model on the performance of the D-Wave 2X quantum annealer. Our results show that at the best settings, the scaling of expected anneal time to solution for D-WAVE 2X is better than that of the DWave Two, but still inferior to that of state of the art classical solvers on these problems. We discuss the implication of our results for the design and programming of future quantum annealers. Supported by NASA Ames Research Center.

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

Vacancy-Induced Ferromagnetism in SnO2 Nanocrystals: A Positron Annihilation Study

NASA Astrophysics Data System (ADS)

Chen, Zhi-Yuan; Chen, Zhi-Quan; Pan, Rui-Kun; Wang, Shao-Jie

2013-02-01

SnO2 nanopowders were pressed into pellets and annealed in air from 100 to 1400°C. Both XRD and Raman spectroscopy confirm that all annealed samples were single phase with a tetragonal rutile structure. Annealing induces an increase in the SnO2 grain size from 30 to 83 nm. Positron annihilation measurements reveal vacancy defects in the grain boundary region, and the interfacial defects remain stable after annealing below 400°C, then they are gradually recovered with increasing annealing temperature up to 1200°C. Room temperature ferromagnetism was observed for SnO2 nanocrystals annealed below 1200°C, and the magnetization decreases continuously with increasing annealing temperature. However, the ferromagnetism disappears at 1200°C annealing. This shows good coincidence with the recovery of interfacial defects in the nanocrystals, suggesting that the ferromagnetism is probably induced by vacancy defects in the interface region.

Tailoring of magnetoimpedance effect and magnetic softness of Fe-rich glass-coated microwires by stress- annealing.

PubMed

Zhukova, V; Blanco, J M; Ipatov, M; Churyukanova, M; Taskaev, S; Zhukov, A

2018-02-16

There is a pressing need for improving of the high-frequency magneto-impedance effect of cost-effective soft magnetic materials for use in high-performance sensing devices. The impact of the stress-annealing on magnetic properties and high frequency impedance of Fe-rich glass-coated microwires was studied. Hysteresis loops of Fe-rich microwires have been considerably affected by stress- annealing. In stress-annealed Fe- rich microwire we obtained drastic decreasing of coercivity and change of character of hysteresis loop from rectangular to linear. By controlling stress-annealing conditions (temperature and time) we achieved drastic increasing (by order of magnitude) of giant magnetoimpedance ratio. Coercivity, remanent magnetization, diagonal and of-diagonal magnetoimpedance effect of Fe-rich microwires can be tuned by stress-annealing conditions: annealing temperature and time. Observed experimental results are discussed considering relaxation of internal stresses, compressive "back-stresses" arising after stress annealing and topological short range ordering.

Effects of annealing process on magnetic properties and structures of Nd-Pr-Ce-Fe-B melt-spun powders

NASA Astrophysics Data System (ADS)

Pei, Kun; Lin, Min; Yan, Aru; Zhang, Xing

2016-05-01

The effects of annealing process on magnetic properties and structures of Nd-Pr-Ce-Fe-B melt-spun powders have been investigated. The magnetic properties improve a lot when the annealing temperature is 590-650 °C and the annealing time exceeds 1 min. The magnetic properties is stable when the annealing time is 590-650 °C. The powders contains obvious grains when the annealing time is only 1 min, while the grains grow up obviously, leading to the decrease of Br and (BH)max, when the annealing time is more than 9 min. The Hcj changes little for different annealing time. The cooling rate also affects the magnetic properties of powders with different Ce-content. Faster cooling rate is favorable to improve magnetic properties with low Ce-content powders, while high Ce-content powders need slower cooling rate.

Annealing induced reorientation of crystallites in Sn doped ZnO films

NASA Astrophysics Data System (ADS)

Ravichandran, K.; Vasanthi, M.; Thirumurugan, K.; Sakthivel, B.; Karthika, K.

2014-11-01

Tin doped ZnO thin films were prepared by employing a simplified spray pyrolysis technique using a perfume atomizer and subsequently annealed under different temperatures from 350 °C to 500 °C in steps of 50 °C. The structural, optical, electrical, photoluminescence and surface morphological properties of the as-deposited films were studied and compared with that of the annealed films. The X-ray diffraction studies showed that as-deposited film exhibits preferential orientation along the (0 0 2) plane and it changes in favour of (1 0 0) plane after annealing. The increase in crystallite size due to annealing is explained on the basis of Ostwald ripening effect. It is found that the optical transmittance and band gap increases with increase in annealing temperature. A slight decrease in resistivity caused by annealing is discussed in correlation with annealing induced defect modifications and surface morphology.

Impact of thermal annealing on optical properties of vacuum evaporated CdTe thin films for solar cells

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

Chander, Subhash, E-mail: sckhurdra@gmail.com; Purohit, A.; Lal, C.

2016-05-06

In this paper, the impact of thermal annealing on optical properties of cadmium telluride (CdTe) thin films is investigated. The films of thickness 650 nm were deposited on thoroughly cleaned glass substrate employing vacuum evaporation followed by thermal annealing in the temperature range 250-450 °C. The as-deposited and annealed films were characterized using UV-Vis spectrophotometer. The optical band gap is found to be decreased from 1.88 eV to 1.48 eV with thermal annealing. The refractive index is found to be in the range 2.73-2.92 and observed to increase with annealing treatment. The experimental results reveal that the thermal annealing plays anmore » important role to enhance the optical properties of CdTe thin films and annealed films may be used as absorber layer in CdTe/CdS solar cells.« less

Simulated annealing with probabilistic analysis for solving traveling salesman problems

NASA Astrophysics Data System (ADS)

Hong, Pei-Yee; Lim, Yai-Fung; Ramli, Razamin; Khalid, Ruzelan

2013-09-01

Simulated Annealing (SA) is a widely used meta-heuristic that was inspired from the annealing process of recrystallization of metals. Therefore, the efficiency of SA is highly affected by the annealing schedule. As a result, in this paper, we presented an empirical work to provide a comparable annealing schedule to solve symmetric traveling salesman problems (TSP). Randomized complete block design is also used in this study. The results show that different parameters do affect the efficiency of SA and thus, we propose the best found annealing schedule based on the Post Hoc test. SA was tested on seven selected benchmarked problems of symmetric TSP with the proposed annealing schedule. The performance of SA was evaluated empirically alongside with benchmark solutions and simple analysis to validate the quality of solutions. Computational results show that the proposed annealing schedule provides a good quality of solution.

Quasi-Static Probabilistic Structural Analyses Process and Criteria

NASA Technical Reports Server (NTRS)

Goldberg, B.; Verderaime, V.

1999-01-01

Current deterministic structural methods are easily applied to substructures and components, and analysts have built great design insights and confidence in them over the years. However, deterministic methods cannot support systems risk analyses, and it was recently reported that deterministic treatment of statistical data is inconsistent with error propagation laws that can result in unevenly conservative structural predictions. Assuming non-nal distributions and using statistical data formats throughout prevailing stress deterministic processes lead to a safety factor in statistical format, which integrated into the safety index, provides a safety factor and first order reliability relationship. The embedded safety factor in the safety index expression allows a historically based risk to be determined and verified over a variety of quasi-static metallic substructures consistent with the traditional safety factor methods and NASA Std. 5001 criteria.

Effect of Uncertainty on Deterministic Runway Scheduling

NASA Technical Reports Server (NTRS)

Gupta, Gautam; Malik, Waqar; Jung, Yoon C.

2012-01-01

Active runway scheduling involves scheduling departures for takeoffs and arrivals for runway crossing subject to numerous constraints. This paper evaluates the effect of uncertainty on a deterministic runway scheduler. The evaluation is done against a first-come- first-serve scheme. In particular, the sequence from a deterministic scheduler is frozen and the times adjusted to satisfy all separation criteria; this approach is tested against FCFS. The comparison is done for both system performance (throughput and system delay) and predictability, and varying levels of congestion are considered. The modeling of uncertainty is done in two ways: as equal uncertainty in availability at the runway as for all aircraft, and as increasing uncertainty for later aircraft. Results indicate that the deterministic approach consistently performs better than first-come-first-serve in both system performance and predictability.

Numerical Approach to Spatial Deterministic-Stochastic Models Arising in Cell Biology.

PubMed

Schaff, James C; Gao, Fei; Li, Ye; Novak, Igor L; Slepchenko, Boris M

2016-12-01

Hybrid deterministic-stochastic methods provide an efficient alternative to a fully stochastic treatment of models which include components with disparate levels of stochasticity. However, general-purpose hybrid solvers for spatially resolved simulations of reaction-diffusion systems are not widely available. Here we describe fundamentals of a general-purpose spatial hybrid method. The method generates realizations of a spatially inhomogeneous hybrid system by appropriately integrating capabilities of a deterministic partial differential equation solver with a popular particle-based stochastic simulator, Smoldyn. Rigorous validation of the algorithm is detailed, using a simple model of calcium 'sparks' as a testbed. The solver is then applied to a deterministic-stochastic model of spontaneous emergence of cell polarity. The approach is general enough to be implemented within biologist-friendly software frameworks such as Virtual Cell.

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

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.

Effect of thermal annealing Super Yellow emissive layer on efficiency of OLEDs

PubMed Central

Burns, Samantha; MacLeod, Jennifer; Trang Do, Thu; Sonar, Prashant; Yambem, Soniya D.

2017-01-01

Thermal annealing of the emissive layer of an organic light emitting diode (OLED) is a common practice for solution processable emissive layers and reported annealing temperatures varies across a wide range of temperatures. We have investigated the influence of thermal annealing of the emissive layer at different temperatures on the performance of OLEDs. Solution processed polymer Super Yellow emissive layers were annealed at different temperatures and their performances were compared against OLEDs with a non-annealed emissive layer. We found a significant difference in the efficiency of OLEDs with different annealing temperatures. The external quantum efficiency (EQE) reached a maximum of 4.09% with the emissive layer annealed at 50 °C. The EQE dropped by ~35% (to 2.72%) for OLEDs with the emissive layers annealed at 200 °C. The observed performances of OLEDs were found to be closely related to thermal properties of polymer Super Yellow. The results reported here provide an important guideline for processing emissive layers and are significant for OLED and other organic electronics research communities. PMID:28106082

Facile Synthesis of Calcium Borate Nanoparticles and the Annealing Effect on Their Structure and Size

PubMed Central

Erfani, Maryam; Saion, Elias; Soltani, Nayereh; Hashim, Mansor; Wan Abdullah, Wan Saffiey B.; Navasery, Manizheh

2012-01-01

Calcium borate nanoparticles have been synthesized by a thermal treatment method via facile co-precipitation. Differences of annealing temperature and annealing time and their effects on crystal structure, particle size, size distribution and thermal stability of nanoparticles were investigated. The formation of calcium borate compound was characterized by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), Transmission electron microscopy (TEM), and Thermogravimetry (TGA). The XRD patterns revealed that the co-precipitated samples annealed at 700 °C for 3 h annealing time formed an amorphous structure and the transformation into a crystalline structure only occurred after 5 h annealing time. It was found that the samples annealed at 900 °C are mostly metaborate (CaB2O4) nanoparticles and tetraborate (CaB4O7) nanoparticles only observed at 970 °C, which was confirmed by FTIR. The TEM images indicated that with increasing the annealing time and temperature, the average particle size increases. TGA analysis confirmed the thermal stability of the annealed samples at higher temperatures. PMID:23203073

In-situ XRD vs ex-situ vacuum annealing of tantalum oxynitride thin films: Assessments on the structural evolution

NASA Astrophysics Data System (ADS)

Cunha, L.; Apreutesei, M.; Moura, C.; Alves, E.; Barradas, N. P.; Cristea, D.

2018-04-01

The purpose of this work is to discuss the main structural characteristics of a group of tantalum oxynitride (TaNxOy) thin films, with different compositions, prepared by magnetron sputtering, and to interpret and compare the structural changes, by X-ray diffraction (XRD), when the samples are vacuum annealed under two different conditions: i) annealing, followed by ex-situ XRD: one sample of each deposition run was annealed at a different temperature, until a maximum of 800 °C, and the XRD patterns were obtained, at room temperature, after each annealing process; ii) annealing with in-situ XRD: the diffraction patterns are obtained, at certain temperatures, during the annealing process, using always the same sample. In-situ XRD annealing could be an interesting process to perform annealing, and analysing the evolution of the structure with the temperature, when compared to the classical process. A higher structural stability was observed in some of the samples, particularly on those with highest oxygen content, but also on the sample with non-metal (O + N) to metal (Ta) ratio around 0.5.

Efficient room-temperature source of polarized single photons

DOEpatents

Lukishova, Svetlana G.; Boyd, Robert W.; Stroud, Carlos R.

2007-08-07

An efficient technique for producing deterministically polarized single photons uses liquid-crystal hosts of either monomeric or oligomeric/polymeric form to preferentially align the single emitters for maximum excitation efficiency. Deterministic molecular alignment also provides deterministically polarized output photons; using planar-aligned cholesteric liquid crystal hosts as 1-D photonic-band-gap microcavities tunable to the emitter fluorescence band to increase source efficiency, using liquid crystal technology to prevent emitter bleaching. Emitters comprise soluble dyes, inorganic nanocrystals or trivalent rare-earth chelates.

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.

Effect of Annealing on the Density of Defects in Epitaxial CdTe (211)/GaAs

NASA Astrophysics Data System (ADS)

Bakali, Emine; Selamet, Yusuf; Tarhan, Enver

2018-05-01

CdTe thin films were grown on GaAs (211) wafers by molecular beam epitaxy as the buffer layer for HgCdTe infrared detector applications. We studied the effect of annealing on the density of dislocation of these CdTe thin films under varying annealing parameters such as annealing temperature, annealing duration, and number of cycles. Annealings were carried out using a homemade annealing reactor possessing a special heater element made of a Si wafer for rapid heating. The density of dislocations, which were made observable with a scanning electron microscope after etching with an Everson solution, were calculated by counting the number of dislocations per unit surface area, hence the term etch pit density (EPD). We were able to decrease EPD values by one order of magnitude after annealing. For example, the best EPD value after a 20-min annealing at 400°C was ˜ 2 × 107 cm-2 for a 1.63-μm CdTe thin film which was about 9.5 × 107 cm-2 before annealing. We also employed Raman scattering measurements to see the changes in the structural quality of the samples. From the Raman measurements, we were able to see improvements in the quality of our samples from the annealing by studying the ratio of 2LO/LO phonon mode Raman intensities. We also observed a clear decrease in the intensity of Te precipitations-related modes, indicating a decrease in the size and number of these precipitations.

Preparation and Thermal Characterization of Annealed Gold Coated Porous Silicon.

PubMed

Behzad, Kasra; Mat Yunus, Wan Mahmood; Talib, Zainal Abidin; Zakaria, Azmi; Bahrami, Afarin

2012-01-16

Porous silicon (PSi) layers were formed on a p-type Si wafer. Six samples were anodised electrically with a 30 mA/cm² fixed current density for different etching times. The samples were coated with a 50-60 nm gold layer and annealed at different temperatures under Ar flow. The morphology of the layers, before and after annealing, formed by this method was investigated by scanning electron microscopy (SEM). Photoacoustic spectroscopy (PAS) measurements were carried out to measure the thermal diffusivity (TD) of the PSi and Au/PSi samples. For the Au/PSi samples, the thermal diffusivity was measured before and after annealing to study the effect of annealing. Also to study the aging effect, a comparison was made between freshly annealed samples and samples 30 days after annealing.

A new bottom-up synthesis of MnBi particles with high magnetic performance

NASA Astrophysics Data System (ADS)

Liu, Shoufa; Wang, Jinpeng; Dong, Feng

2018-01-01

Mn and Bi nanoparticles were synthesized by a wet chemistry reduction process. The as-synthesized Mn and Bi nanoparticles were mixed in hexane with the molar ratio of 1 to 1, and annealed at 250 °C in an inert gas environment. In four parallel experiments, the annealing time was controlled to be 2, 4, 6, and 8 h. The impacts of annealing time on product morphology, crystallization, and magnetic properties were investigated. The results showed that within 6 h annealing, an increased annealing time resulted in more sintering among the particles in the products, enhanced crystallization, and improved magnetic properties. When the annealing time exceeded 6 h, further annealing did not bring much difference in morphology, crystallization, and magnetic properties, indicating a thermally stable state of the product.

Annealing effect on current-driven domain wall motion in Pt/[Co/Ni] wire

NASA Astrophysics Data System (ADS)

Furuta, Masaki; Liu, Yang; Sepehri-Amin, Hossein; Hono, Kazuhiro; Zhu, Jian-Gang Jimmy

2017-09-01

The annealing effect on the efficiency of current-driven domain wall motion governed by the spin Hall effect in perpendicularly magnetized Pt/[Co/Ni] wires is investigated experimentally. Important physical parameters, such as the Dzyaloshinskii-Moriya Interaction (DMI), spin Hall angle, and perpendicular anisotropy field strength, for the domain wall motion are all characterized at each annealing temperature. It is found that annealing of wires at temperatures over 120 °C causes significant reduction of the domain wall velocity. Energy dispersive X-ray spectroscopy analysis shows pronounced Co diffusion across the Pt/Co interface resulted from annealing at relatively high temperatures. The combined modeling study shows that the reduction of DMI caused by annealing is mostly responsible for the domain wall velocity reduction due to annealing.

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.

Effect of Annealing Temperature on Bi3.25La0.75Ti3O12 Powders for Humidity Sensing Properties

NASA Astrophysics Data System (ADS)

Zhang, Yong; He, Jinping; Yuan, Mengjiao; Jiang, Bin; Li, Peiwen; Tong, Yexing; Zheng, Xuejun

2017-01-01

Bi3.25La0.75Ti3O12 (BLT) powders have been synthesized via the metal-organic decomposition method with annealing of the BLT precursor solution at 350°C, 450°C, 550°C, 650°C or 750°C. The crystalline structure and morphology of the BLT powders were characterized by x-ray diffraction analysis, field-emission scanning electron microscopy, energy-dispersive x-ray spectroscopy, and specific surface and pore size analyses. The humidity sensing properties of the BLT powders annealed at the five temperatures were investigated to determine the effect of annealing temperature. The annealing temperature strongly influenced the grain size, pore size distribution, and specific surface area of the BLT powders, being largely correlated to their humidity sensing properties. The specific surface area of the BLT powder annealed at 550°C was 68.2 m2/g, much larger than for the other annealing temperatures, and the majority of the pores in the BLT powder annealed at 550°C were mesoporous, significantly increasing the adsorption efficiency of water vapor onto the surface of the material. The impedance of the BLT powder annealed at 550°C varied by more than five orders of magnitude over the whole humidity range at working frequency of 100 Hz, being approximately five times greater than for BLT powders annealed at other temperatures. The response time was about 8 s, with maximum hysteresis of around 3% relative humidity. The BLT powder annealed at 550°C exhibited the best humidity sensing properties compared with the other annealing temperatures. We expect that these results will offer useful guidelines for preparation of humidity sensing materials.

Effect of Annealing on the Thermoluminescence Properties of ZnO Nanophosphor

NASA Astrophysics Data System (ADS)

Kalita, J. M.; Wary, G.

2017-07-01

We report the effect of annealing on the thermoluminescence (TL) properties of zinc oxide (ZnO) nanophosphor. The sample was synthesised by a wet chemical process. The characterisation report shows that the size of the grains is within 123.0 nm-160.5 nm. TL measured at 2 K/s from a fresh un-annealed sample irradiated to 60 mGy shows a composite glow curve containing three peaks at 353.2 K, 429.1 K, and 455.3 K. On the other hand, samples annealed at 473 K and 573 K followed by irradiation to 60 mGy do not give TL. However, annealing at 673 K and 773 K followed by irradiation to the same dose produces a glow curve comprising two overlapping peaks at 352.3 K and 370.6 K. In the TL emission spectrum of un-annealed sample, two emission peaks were found in green ( 523 nm) and orange ( 620 nm) regions whereas in annealed samples, only a peak was found in the orange region ( 618 nm). Kinetic analysis shows that the activation energy corresponding to TL peaks at 353.2 K, 429.1 K, and 455.3 K of the un-annealed sample are 0.64 eV, 0.80 eV, and 1.20 eV whereas that of the peaks at 352.3 K and 370.6 K of 673 K and 773 K annealed samples are 0.64 eV and 0.70 eV, respectively. All peaks of un-annealed and annealed samples, except the one at 429.1 K of the un-annealed sample, follow first-order kinetics whereas the peak at 429.1 K follows second-order kinetics. Considering the kinetic and spectral features, an energy band model for ZnO nanophosphor has been proposed.

Two- and multi-step annealing of cereal starches in relation to gelatinization.

PubMed

Shi, Yong-Cheng

2008-02-13

Two- and multi-step annealing experiments were designed to determine how much gelatinization temperature of waxy rice, waxy barley, and wheat starches could be increased without causing a decrease in gelatinization enthalpy or a decline in X-ray crystallinity. A mixture of starch and excess water was heated in a differential scanning calorimeter (DSC) pan to a specific temperature and maintained there for 0.5-48 h. The experimental approach was first to anneal a starch at a low temperature so that the gelatinization temperature of the starch was increased without causing a decrease in gelatinization enthalpy. The annealing temperature was then raised, but still was kept below the onset gelatinization temperature of the previously annealed starch. When a second- or third-step annealing temperature was high enough, it caused a decrease in crystallinity, even though the holding temperature remained below the onset gelatinization temperature of the previously annealed starch. These results support that gelatinization is a nonequilibrium process and that dissociation of double helices is driven by the swelling of amorphous regions. Small-scale starch slurry annealing was also performed and confirmed the annealing results conducted in DSC pans. A three-phase model of a starch granule, a mobile amorphous phase, a rigid amorphous phase, and a crystalline phase, was used to interpret the annealing results. Annealing seems to be an interplay between a more efficient packing of crystallites in starch granules and swelling of plasticized amorphous regions. There is always a temperature ceiling that can be used to anneal a starch without causing a decrease in crystallinity. That temperature ceiling is starch-specific, dependent on the structure of a starch, and is lower than the original onset gelatinization of a starch.

Effect of annealing on the laser induced damage of polished and CO2 laser-processed fused silica surfaces

NASA Astrophysics Data System (ADS)

Doualle, T.; Gallais, L.; Cormont, P.; Donval, T.; Lamaignère, L.; Rullier, J. L.

2016-06-01

We investigate the effect of different heat treatments on the laser-induced damage probabilities of fused silica samples. Isothermal annealing in a furnace is applied, with different temperatures in the range 700-1100 °C and 12 h annealing time, to super-polished fused silica samples. The surface flatness and laser damage probabilities at 3 ns, 351 nm are measured before and after the different annealing procedures. We have found a significant improvement of the initial laser damage probabilities of the silica surface after annealing at 1050 °C for 12 h. A similar study has been conducted on CO2 laser-processed sites on the surface of the samples. Before and after annealing, we have studied the morphology of the sites, the evolution of residual stress, and the laser-induced damage threshold measured at 351 nm, 3 ns. In this case, we observe that the laser damage resistance of the laser created craters can reach the damage level of the bare fused silica surface after the annealing process, with a complete stress relieve. The obtained results are then compared to the case of local annealing process by CO2 laser irradiation during 1 s, and we found similar improvements in both cases. The different results obtained in the study are compared to numerical simulations made with a thermo-mechanical model based on finite-element method that allows the simulation of the isothermal or the local annealing process, the evolution of stress and fictive temperature. The simulation results were found to be very consistent with experimental observations for the stresses evolution after annealing and estimation of the heat affected area during laser-processing based on the density dependence with fictive temperature. Following this work, the temperature for local annealing should reach 1330-1470 °C for an optimized reduction of damage probability and be below the threshold for material removal, whereas furnace annealing should be kept below the annealing point to avoid sample deformation.

Controlling superconductivity in La 2-xSr xCuO 4+δ by ozone and vacuum annealing

DOE PAGES

Leng, Xiang; Bozovic, Ivan

2014-11-21

In this study we performed a series of ozone and vacuum annealing experiments on epitaxial La 2-xSr xCuO 4+δ thin films. The transition temperature after each annealing step has been measured by the mutual inductance technique. The relationship between the effective doping and the vacuum annealing time has been studied. Short-time ozone annealing at 470 °C oxidizes an underdoped film all the way to the overdoped regime. The subsequent vacuum annealing at 350 °C to 380 °C slowly brings the sample across the optimal doping point back to the undoped, non-superconducting state. Several ozone and vacuum annealing cycles have beenmore » done on the same sample and the effects were found to be repeatable and reversible Vacuum annealing of ozone-loaded LSCO films is a very controllable process, allowing one to tune the doping level of LSCO in small steps across the superconducting dome, which can be used for fundamental physics studies.« less

Annealing temperature effect on self-assembled Au droplets on Si (111).

PubMed

Sui, Mao; Li, Ming-Yu; Kim, Eun-Soo; Lee, Jihoon

2013-12-13

We investigate the effect of annealing temperature on self-assembled Au droplets on Si (111). The annealing temperature is systematically varied while fixing other growth parameters such as deposition amount and annealing duration clearly to observe the annealing temperature effect. Self-assembled Au droplets are fabricated by annealing from 50°C to 850°C with 2-nm Au deposition for 30 s. With increased annealing temperatures, Au droplets show gradually increased height and diameter while the density of droplets progressively decreases. Self-assembled Au droplets with fine uniformity can be fabricated between 550°C and 800°C. While Au droplets become much larger with increased deposition amount, the extended annealing duration only mildly affects droplet size and density. The results are systematically analyzed with cross-sectional line profiles, Fourier filter transform power spectra, height histogram, surface area ratio, and size and density plots. This study can provide an aid point for the fabrication of nanowires on Si (111).

Annealing effects on electron-beam evaporated Al 2O 3 films

NASA Astrophysics Data System (ADS)

Shuzhen, Shang; Lei, Chen; Haihong, Hou; Kui, Yi; Zhengxiu, Fan; Jianda, Shao

2005-04-01

The effects of post-deposited annealing on structure and optical properties of electron-beam evaporated Al 2O 3 single layers were investigated. The films were annealed in air for 1.5 h at different temperatures from 250 to 400 °C. The optical constants and cut-off wavelength were deduced. Microstructure of the samples was characterized by X-ray diffraction (XRD). Profile and surface roughness measurement instrument was used to determine the rms surface roughness. It was found that the cut-off wavelength shifted to short wavelength as the annealing temperature increased and the total optical loss decreased. The film structure remained amorphous even after annealing at 400 °C temperature and the samples annealed at higher temperature had the higher rms surface roughness. The decreasing total optical loss with annealing temperature was attributed to the reduction of absorption owing to oxidation of the film by annealing. Guidance to reduce the optical loss of excimer laser mirrors was given.

Controlling superconductivity in La 2-xSr xCuO 4+δ by ozone and vacuum annealing

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

Leng, Xiang; Bozovic, Ivan

In this study we performed a series of ozone and vacuum annealing experiments on epitaxial La 2-xSr xCuO 4+δ thin films. The transition temperature after each annealing step has been measured by the mutual inductance technique. The relationship between the effective doping and the vacuum annealing time has been studied. Short-time ozone annealing at 470 °C oxidizes an underdoped film all the way to the overdoped regime. The subsequent vacuum annealing at 350 °C to 380 °C slowly brings the sample across the optimal doping point back to the undoped, non-superconducting state. Several ozone and vacuum annealing cycles have beenmore » done on the same sample and the effects were found to be repeatable and reversible Vacuum annealing of ozone-loaded LSCO films is a very controllable process, allowing one to tune the doping level of LSCO in small steps across the superconducting dome, which can be used for fundamental physics studies.« less

Mechanical and optoelectric properties of post-annealed fluorine-doped tin oxide films by ultraviolet laser irradiation

NASA Astrophysics Data System (ADS)

Tseng, Shih-Feng; Hsiao, Wen-Tse; Chiang, Donyau; Huang, Kuo-Cheng; Chou, Chang-Pin

2011-06-01

The fluorine-doped tin oxide (FTO) thin film deposited on a soda-lime glass substrate was annealed by a defocus ultraviolet (UV) laser irradiation at ambient temperature. The mechanical and optoelectric properties of FTO films annealed by using the various laser processing parameters were reported. After the FTO films were subjected to laser post-annealing, the microhardness were slightly less but the reduced modulus values were larger than that of unannealed FTO films, respectively. The average optical transmittance in the visible waveband slightly increased with increasing the laser annealing energy and scan speed. Moreover, all the sheet resistance of laser annealed films was less than that of the unannealed ones. We found that the sheet resistance decrease was obviously influenced by annealing. The suitable annealing conditions could maintain the film thickness and relief the internal stress generated in the film preparation process to improve the electrical conductivity via decreasing laser energy or increasing scan speed.

Thermodynamics and kinetics of RNA tertiary structure formation in the junctionless hairpin ribozyme.

PubMed

White, Neil A; Hoogstraten, Charles G

2017-09-01

The hairpin ribozyme consists of two RNA internal loops that interact to form the catalytically active structure. This docking transition is a rare example of intermolecular formation of RNA tertiary structure without coupling to helix annealing. We have used temperature-dependent surface plasmon resonance (SPR) to characterize the thermodynamics and kinetics of RNA tertiary structure formation for the junctionless form of the ribozyme, in which loops A and B reside on separate molecules. We find docking to be strongly enthalpy-driven and to be accompanied by substantial activation barriers for association and dissociation, consistent with the structural reorganization of both internal loops upon complex formation. Comparisons with the parallel analysis of a ribozyme variant carrying a 2'-O-methyl modification at the self-cleavage site and with published data in other systems reveal a surprising diversity of thermodynamic signatures, emphasizing the delicate balance of contributions to the free energy of formation of RNA tertiary structure. Copyright © 2017 Elsevier B.V. All rights reserved.

Electron Diffraction Evidence for the Ordering of Excess Nickel Atoms by Relation to Stoichiometry in Nickel-Rich Beta'-Nial Formation of a Nickel-Aluminum (Ni2al) Superlattices

NASA Technical Reports Server (NTRS)

Reynaud, F.

1988-01-01

In electron diffraction patterns of nickel-rich beta-NiAl alloys, many anomalies are observed. One of these is the appearance of diffuse intensity maxima between the reflexions of the B2 structure. This is explained by the short-range ordering of the excess nickel atoms on the simple cubic sublattice occupied only by aluminum atoms in the stoichiometric, perfectly ordered NiAl alloy. After annealing Ni 37.5 atomic percent Al and Ni 37.75 atomic percent Al for 1 week at 300 and 400 C, the diffuse intensity maxima transformed into sharp superstructure reflexions. These reflexions are explained by the formation of the four possible variants of an ordered hexagonal superstructure corresponding to the Ni2Al composition. This structure is closely related to the Ni2Al3 structure (same space group) formed by the ordering of vacancies on the nickel sublattice in aluminum-rich beta-NiAl alloys.

Calibrating genomic and allelic coverage bias in single-cell sequencing.

PubMed

Zhang, Cheng-Zhong; Adalsteinsson, Viktor A; Francis, Joshua; Cornils, Hauke; Jung, Joonil; Maire, Cecile; Ligon, Keith L; Meyerson, Matthew; Love, J Christopher

2015-04-16

Artifacts introduced in whole-genome amplification (WGA) make it difficult to derive accurate genomic information from single-cell genomes and require different analytical strategies from bulk genome analysis. Here, we describe statistical methods to quantitatively assess the amplification bias resulting from whole-genome amplification of single-cell genomic DNA. Analysis of single-cell DNA libraries generated by different technologies revealed universal features of the genome coverage bias predominantly generated at the amplicon level (1-10 kb). The magnitude of coverage bias can be accurately calibrated from low-pass sequencing (∼0.1 × ) to predict the depth-of-coverage yield of single-cell DNA libraries sequenced at arbitrary depths. We further provide a benchmark comparison of single-cell libraries generated by multi-strand displacement amplification (MDA) and multiple annealing and looping-based amplification cycles (MALBAC). Finally, we develop statistical models to calibrate allelic bias in single-cell whole-genome amplification and demonstrate a census-based strategy for efficient and accurate variant detection from low-input biopsy samples.

Calibrating genomic and allelic coverage bias in single-cell sequencing

PubMed Central

Francis, Joshua; Cornils, Hauke; Jung, Joonil; Maire, Cecile; Ligon, Keith L.; Meyerson, Matthew; Love, J. Christopher

2016-01-01

Artifacts introduced in whole-genome amplification (WGA) make it difficult to derive accurate genomic information from single-cell genomes and require different analytical strategies from bulk genome analysis. Here, we describe statistical methods to quantitatively assess the amplification bias resulting from whole-genome amplification of single-cell genomic DNA. Analysis of single-cell DNA libraries generated by different technologies revealed universal features of the genome coverage bias predominantly generated at the amplicon level (1–10 kb). The magnitude of coverage bias can be accurately calibrated from low-pass sequencing (~0.1 ×) to predict the depth-of-coverage yield of single-cell DNA libraries sequenced at arbitrary depths. We further provide a benchmark comparison of single-cell libraries generated by multi-strand displacement amplification (MDA) and multiple annealing and looping-based amplification cycles (MALBAC). Finally, we develop statistical models to calibrate allelic bias in single-cell whole-genome amplification and demonstrate a census-based strategy for efficient and accurate variant detection from low-input biopsy samples. PMID:25879913

Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

DOEpatents

Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E [Greenback, TN; Guillorn, Michael A [Ithaca, NY; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TN; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

2011-08-23

Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. An apparatus, includes a substrate and a nanoreplicant structure coupled to a surface of the substrate.

Numerical Approach to Spatial Deterministic-Stochastic Models Arising in Cell Biology

PubMed Central

Gao, Fei; Li, Ye; Novak, Igor L.; Slepchenko, Boris M.

2016-01-01

Hybrid deterministic-stochastic methods provide an efficient alternative to a fully stochastic treatment of models which include components with disparate levels of stochasticity. However, general-purpose hybrid solvers for spatially resolved simulations of reaction-diffusion systems are not widely available. Here we describe fundamentals of a general-purpose spatial hybrid method. The method generates realizations of a spatially inhomogeneous hybrid system by appropriately integrating capabilities of a deterministic partial differential equation solver with a popular particle-based stochastic simulator, Smoldyn. Rigorous validation of the algorithm is detailed, using a simple model of calcium ‘sparks’ as a testbed. The solver is then applied to a deterministic-stochastic model of spontaneous emergence of cell polarity. The approach is general enough to be implemented within biologist-friendly software frameworks such as Virtual Cell. PMID:27959915

Stochasticity and determinism in models of hematopoiesis.

PubMed

Kimmel, Marek

2014-01-01

This chapter represents a novel view of modeling in hematopoiesis, synthesizing both deterministic and stochastic approaches. Whereas the stochastic models work in situations where chance dominates, for example when the number of cells is small, or under random mutations, the deterministic models are more important for large-scale, normal hematopoiesis. New types of models are on the horizon. These models attempt to account for distributed environments such as hematopoietic niches and their impact on dynamics. Mixed effects of such structures and chance events are largely unknown and constitute both a challenge and promise for modeling. Our discussion is presented under the separate headings of deterministic and stochastic modeling; however, the connections between both are frequently mentioned. Four case studies are included to elucidate important examples. We also include a primer of deterministic and stochastic dynamics for the reader's use.

Shrinking of silicon nanocrystals embedded in an amorphous silicon oxide matrix during rapid thermal annealing in a forming gas atmosphere

NASA Astrophysics Data System (ADS)

van Sebille, M.; Fusi, A.; Xie, L.; Ali, H.; van Swaaij, R. A. C. M. M.; Leifer, K.; Zeman, M.

2016-09-01

We report the effect of hydrogen on the crystallization process of silicon nanocrystals embedded in a silicon oxide matrix. We show that hydrogen gas during annealing leads to a lower sub-band gap absorption, indicating passivation of defects created during annealing. Samples annealed in pure nitrogen show expected trends according to crystallization theory. Samples annealed in forming gas, however, deviate from this trend. Their crystallinity decreases for increased annealing time. Furthermore, we observe a decrease in the mean nanocrystal size and the size distribution broadens, indicating that hydrogen causes a size reduction of the silicon nanocrystals.

Cyclical Annealing Technique To Enhance Reliability of Amorphous Metal Oxide Thin Film Transistors.

PubMed

Chen, Hong-Chih; Chang, Ting-Chang; Lai, Wei-Chih; Chen, Guan-Fu; Chen, Bo-Wei; Hung, Yu-Ju; Chang, Kuo-Jui; Cheng, Kai-Chung; Huang, Chen-Shuo; Chen, Kuo-Kuang; Lu, Hsueh-Hsing; Lin, Yu-Hsin

2018-02-26

This study introduces a cyclical annealing technique that enhances the reliability of amorphous indium-gallium-zinc-oxide (a-IGZO) via-type structure thin film transistors (TFTs). By utilizing this treatment, negative gate-bias illumination stress (NBIS)-induced instabilities can be effectively alleviated. The cyclical annealing provides several cooling steps, which are exothermic processes that can form stronger ionic bonds. An additional advantage is that the total annealing time is much shorter than when using conventional long-term annealing. With the use of cyclical annealing, the reliability of the a-IGZO can be effectively optimized, and the shorter process time can increase fabrication efficiency.

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.

Annealing temperature dependence of magnetoimpedance effect in electrodeposited [Ni80fe20/Cu]3 multilayers

NASA Astrophysics Data System (ADS)

Maulana, Frendi; Eko Prastyo, W.; Nuryani; Purnama, B.

2017-11-01

We have conducted an experiment of magnetoimpedance with a variation of annealing temperature of [Ni80Fe20/Cu)]3 multilayers. The multilayer is electrodeposited on Cu-PCB substrate. Magnetoimpedance effect is impedance measure on account of external magnetic field. The found MI (magnetoimpedance) ratio is 7,63 % (without annealing) and 4,75 % (using annealing) of 100 ºC. We find that MI ratio depends on to annealing temperature and current frequence. MI ratio decreases due to rising temperature and identified increase due to the frequency. The highest MI ratio is on a sample without annealing temperature and measurement at 100 kHz frequence.

Simultaneous high crystallinity and sub-bandgap optical absorptance in hyperdoped black silicon using nanosecond laser annealing

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

Franta, Benjamin, E-mail: bafranta@gmail.com; Pastor, David; Gandhi, Hemi H.

2015-12-14

Hyperdoped black silicon fabricated with femtosecond laser irradiation has attracted interest for applications in infrared photodetectors and intermediate band photovoltaics due to its sub-bandgap optical absorptance and light-trapping surface. However, hyperdoped black silicon typically has an amorphous and polyphasic polycrystalline surface that can interfere with carrier transport, electrical rectification, and intermediate band formation. Past studies have used thermal annealing to obtain high crystallinity in hyperdoped black silicon, but thermal annealing causes a deactivation of the sub-bandgap optical absorptance. In this study, nanosecond laser annealing is used to obtain high crystallinity and remove pressure-induced phases in hyperdoped black silicon while maintainingmore » high sub-bandgap optical absorptance and a light-trapping surface morphology. Furthermore, it is shown that nanosecond laser annealing reactivates the sub-bandgap optical absorptance of hyperdoped black silicon after deactivation by thermal annealing. Thermal annealing and nanosecond laser annealing can be combined in sequence to fabricate hyperdoped black silicon that simultaneously shows high crystallinity, high above-bandgap and sub-bandgap absorptance, and a rectifying electrical homojunction. Such nanosecond laser annealing could potentially be applied to non-equilibrium material systems beyond hyperdoped black silicon.« less

Origin of two maxima in specific heat in enthalpy relaxation under thermal history composed of cooling, annealing, and heating.

PubMed

Sakatsuji, Waki; Konishi, Takashi; Miyamoto, Yoshihisa

2016-12-01

The origin of two maxima in specific heat observed at the higher and the lower temperatures in the glass-transition region in the heating process has been studied for polymethyl methacrylate and polyvinyl chloride using differential scanning calorimetry, and the calculation was done using the phenomenological model equation under a thermal history of the typical annealing experiment composed of cooling, annealing, and heating. The higher maximum is observed above the glass-transition temperature, and it remains almost unchanged independent of annealing time t_{a}, while the lower one is observed above an annealing temperature T_{a} and shifts toward the higher one, increasing its magnitude with t_{a}. The analysis by the phenomenological model equation proposed in order to interpret the memory effect in the glassy state clarifies that under a typical annealing history, two maxima in specific heat essentially appear. The shift of the lower maximum toward higher temperatures from above T_{a} is caused by an increase in the amount of relaxation during annealing with t_{a}. The annealing temperature and the amount of relaxation during annealing play a major role in the determination of the number of maxima in the specific heat.

Annealing effects on electrical behavior of gold nanoparticle film: Conversion of ohmic to non-ohmic conductivity

NASA Astrophysics Data System (ADS)

Ebrahimpour, Zeinab; Mansour, Nastaran

2017-02-01

This paper reports on the electrical behavior of self-assembled gold nanoparticle films before and after high-temperature annealing in ambient environment. These films are made by depositing gold nanoparticles from a colloidal solution on glass substrates using centrifuge deposition technique. The current-voltage (I-V) characteristics of these films exhibits ohmic and non-ohmic properties for un-annealed and annealed films respectively. As the annealing time duration increases, the onset of non-ohmic behavior occurs at higher voltages. To understand the underlying mechanisms for the observed electrical conduction behavior in these films and how electrical conduction is effected by film morphology and structural properties before and after annealing, systematic comparative studies based on scanning electron microscopy (SEM), UV-vis absorption spectroscopy and X-ray photoelectron spectroscopy (XPS) have been performed. The morphology of the films shows that the assembled gold nanoparticles are distributed on the substrate in a random way before annealing. After 2 h annealing gold nanoparticles exhibit a higher filling fraction when examined by SEM, which means that they coalesce, upon annealing, with respect to un-annealed films. The UV-vis absorption spectra of the films show that there is a red-shift and broadening in the absorption band for the annealed films. The observed phenomenon is related to the plasmon near-field coupling effect and suggests that the nanoparticle ensembles interspacing has decreased. The structural and crystallinity of the films exhibit amorphous structure before annealing and pure crystalline phases with a preferential growth direction along the (111) plane after annealing. The XPS analysis further suggests the existence of the stable thin oxide layer in the phase of Au2O3 in the annealed films. The I-V characteristics have been described by Simmons' model for tunnel transport through metal-insulator-metal (MIM) junctions. The Fowler-Nordheim (F-N) plots show the transition of the in-plane charge transport mechanism from direct tunneling to field emission in annealed films. Our results suggest that, the formation of a thin layer of Au2O3 , the proximity of the nanoparticles as well as their higher filling fraction are important parameters related with the tunneling process enhancement. The observed non-ohmic conductivity property can make these self-assembled gold nanoparticle films very useful structures in different applications such as sensing, resistors and other nanoelectronic applications.

Hybrid deterministic/stochastic simulation of complex biochemical systems.

PubMed

Lecca, Paola; Bagagiolo, Fabio; Scarpa, Marina

2017-11-21

In a biological cell, cellular functions and the genetic regulatory apparatus are implemented and controlled by complex networks of chemical reactions involving genes, proteins, and enzymes. Accurate computational models are indispensable means for understanding the mechanisms behind the evolution of a complex system, not always explored with wet lab experiments. To serve their purpose, computational models, however, should be able to describe and simulate the complexity of a biological system in many of its aspects. Moreover, it should be implemented by efficient algorithms requiring the shortest possible execution time, to avoid enlarging excessively the time elapsing between data analysis and any subsequent experiment. Besides the features of their topological structure, the complexity of biological networks also refers to their dynamics, that is often non-linear and stiff. The stiffness is due to the presence of molecular species whose abundance fluctuates by many orders of magnitude. A fully stochastic simulation of a stiff system is computationally time-expensive. On the other hand, continuous models are less costly, but they fail to capture the stochastic behaviour of small populations of molecular species. We introduce a new efficient hybrid stochastic-deterministic computational model and the software tool MoBioS (MOlecular Biology Simulator) implementing it. The mathematical model of MoBioS uses continuous differential equations to describe the deterministic reactions and a Gillespie-like algorithm to describe the stochastic ones. Unlike the majority of current hybrid methods, the MoBioS algorithm divides the reactions' set into fast reactions, moderate reactions, and slow reactions and implements a hysteresis switching between the stochastic model and the deterministic model. Fast reactions are approximated as continuous-deterministic processes and modelled by deterministic rate equations. Moderate reactions are those whose reaction waiting time is greater than the fast reaction waiting time but smaller than the slow reaction waiting time. A moderate reaction is approximated as a stochastic (deterministic) process if it was classified as a stochastic (deterministic) process at the time at which it crosses the threshold of low (high) waiting time. A Gillespie First Reaction Method is implemented to select and execute the slow reactions. The performances of MoBios were tested on a typical example of hybrid dynamics: that is the DNA transcription regulation. The simulated dynamic profile of the reagents' abundance and the estimate of the error introduced by the fully deterministic approach were used to evaluate the consistency of the computational model and that of the software tool.

Failed rib region prediction in a human body model during crash events with precrash braking.

PubMed

Guleyupoglu, B; Koya, B; Barnard, R; Gayzik, F S

2018-02-28

The objective of this study is 2-fold. We used a validated human body finite element model to study the predicted chest injury (focusing on rib fracture as a function of element strain) based on varying levels of simulated precrash braking. Furthermore, we compare deterministic and probabilistic methods of rib injury prediction in the computational model. The Global Human Body Models Consortium (GHBMC) M50-O model was gravity settled in the driver position of a generic interior equipped with an advanced 3-point belt and airbag. Twelve cases were investigated with permutations for failure, precrash braking system, and crash severity. The severities used were median (17 kph), severe (34 kph), and New Car Assessment Program (NCAP; 56.4 kph). Cases with failure enabled removed rib cortical bone elements once 1.8% effective plastic strain was exceeded. Alternatively, a probabilistic framework found in the literature was used to predict rib failure. Both the probabilistic and deterministic methods take into consideration location (anterior, lateral, and posterior). The deterministic method is based on a rubric that defines failed rib regions dependent on a threshold for contiguous failed elements. The probabilistic method depends on age-based strain and failure functions. Kinematics between both methods were similar (peak max deviation: ΔX head = 17 mm; ΔZ head = 4 mm; ΔX thorax = 5 mm; ΔZ thorax = 1 mm). Seat belt forces at the time of probabilistic failed region initiation were lower than those at deterministic failed region initiation. The probabilistic method for rib fracture predicted more failed regions in the rib (an analog for fracture) than the deterministic method in all but 1 case where they were equal. The failed region patterns between models are similar; however, there are differences that arise due to stress reduced from element elimination that cause probabilistic failed regions to continue to rise after no deterministic failed region would be predicted. Both the probabilistic and deterministic methods indicate similar trends with regards to the effect of precrash braking; however, there are tradeoffs. The deterministic failed region method is more spatially sensitive to failure and is more sensitive to belt loads. The probabilistic failed region method allows for increased capability in postprocessing with respect to age. The probabilistic failed region method predicted more failed regions than the deterministic failed region method due to force distribution differences.

Pattern Laser Annealing by a Pulsed Laser

NASA Astrophysics Data System (ADS)

Komiya, Yoshio; Hoh, Koichiro; Murakami, Koichi; Takahashi, Tetsuo; Tarui, Yasuo

1981-10-01

Preliminary experiments with contact-type pattern laser annealing were made for local polycrystallization of a-Si, local evaporation of a-Si and local formation of Ni-Si alloy. These experiments showed that the mask patterns can be replicated as annealed regions with a resolution of a few microns on substrates. To overcome shortcomings due to the contact type pattern annealing, a projection type reduction pattern laser annealing system is proposed for resistless low temperature pattern forming processes.

Effect of annealing temperature on the properties of copper oxide films prepared by dip coating technique

NASA Astrophysics Data System (ADS)

Raship, N. A.; Sahdan, M. Z.; Adriyanto, F.; Nurfazliana, M. F.; Bakri, A. S.

2017-01-01

Copper oxide films were grown on silicon substrates by sol-gel dip coating method. In order to study the effects of annealing temperature on the properties of copper oxide films, the temperature was varied from 200 °C to 450 °C. In the process of dip coating, the substrate is withdrawn from the precursor solution with uniform velocity to obtain a uniform coating before undergoing an annealing process to make the copper oxide film polycrystalline. The physical properties of the copper oxide films were measured by an X-ray diffraction (XRD), a field emission scanning electron microscope (FESEM), an atomic force microscopy (AFM) and a four point probe instrument. From the XRD results, we found that pure cuprite (Cu2O) phase can be obtained by annealing the films annealed at 200 °C. Films annealed at 300 °C had a combination phase which consists of tenorite (CuO) and cuprite (Cu2O) phase while pure tenorite (CuO) phase can be obtained at 450 °C annealing temperature. The surface microstructure showed that the grains size is increased whereas the surface roughness is increased and then decreases by increasing in annealing temperature. The films showed that the resistivity decreased with increasing annealing temperature. Consequently, it was observed that annealing temperature has strong effects on the structural, morphological and electrical properties of copper oxide films.

Effect of in situ annealing on the structural and electrical properties and infrared photodetection of III-Sb on GaAs using interfacial misfit array

NASA Astrophysics Data System (ADS)

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt

2018-01-01

This work presents the effects of in situ thermal annealing under antimony overpressure on the structural, electrical, and optical properties of III-Sb (GaSb and InSb) grown on (100) GaAs using an interfacial misfit array to accommodate the lattice mismatch. Both the sample growth and the in situ thermal annealing were carried out in the in the molecular beam epitaxy system, and the temperature of the as-grown sample was increased to exceed its growth temperature during the annealing. X-ray diffraction demonstrates nearly fully relaxed as-grown and annealed III-Sb layers. The optimal annealing temperatures and durations are for 590 °C, 5 min for GaSb and 420 °C, 15 min for InSb, respectively. In situ annealing decreased the surface roughness of the III-Sb layers. X-ray reciprocal space mapping and transmission electron microscopy observation showed stable interfacial misfit arrays, and no interfacial diffusion occurred in the annealed III-Sb layers. A Hall measurement of unintentionally doped III-Sb layers showed greater carrier mobility and a lower carrier concentration in the annealed samples at both 77 and 300 K. In situ annealing improved the photoresponsivity of GaSb and InSb photoconductors grown on GaAs in the near- and mid-infrared ranges, respectively.

Preparation and Thermal Characterization of Annealed Gold Coated Porous Silicon

PubMed Central

Behzad, Kasra; Mat Yunus, Wan Mahmood; Talib, Zainal Abidin; Zakaria, Azmi; Bahrami, Afarin

2012-01-01

Porous silicon (PSi) layers were formed on a p-type Si wafer. Six samples were anodised electrically with a 30 mA/cm2 fixed current density for different etching times. The samples were coated with a 50–60 nm gold layer and annealed at different temperatures under Ar flow. The morphology of the layers, before and after annealing, formed by this method was investigated by scanning electron microscopy (SEM). Photoacoustic spectroscopy (PAS) measurements were carried out to measure the thermal diffusivity (TD) of the PSi and Au/PSi samples. For the Au/PSi samples, the thermal diffusivity was measured before and after annealing to study the effect of annealing. Also to study the aging effect, a comparison was made between freshly annealed samples and samples 30 days after annealing. PMID:28817037

Thermomechanical Processing of Fe-6.9Al-2Cr-0.88C Steel: Intercritical Annealing Followed by Quench Tempering

NASA Astrophysics Data System (ADS)

Farahat, Ahmed Ismail Zaky; Mohamed, Masoud Ibrahim

2015-01-01

A hot forged Fe-0.88 pct C-6.9 pct Al steel was intercritically annealed at temperatures in the range of 1173 K to 1283 K (900 °C to 1010 °C), and subsequently tempered at 623 K (350 °C) to enhance the mechanical properties by microstructure modification. Room temperature compression tests were carried out to evaluate the influence of the intercritical annealing temperature on the mechanical properties. A substructure was present in the microstructure after each intercritical annealing treatment. The substructure was absent after annealing at 1263 K (990 °C) and higher temperatures. Over-aging occurred when the annealing temperature was increased to 1283 K (1010 °C). A remarkable increase in strength and ductility was achieved after annealing at 1263 K (990 °C).

Electrical transport and current properties of rare-earth dysprosium Schottky electrode on p-type GaN at various annealing temperatures

NASA Astrophysics Data System (ADS)

Nagaraju, G.; Ravindranatha Reddy, K.; Rajagopal Reddy, V.

2017-11-01

The electrical and current transport properties of rapidly annealed Dy/p-GaN SBD are probed by I-V and C-V techniques. The estimated barrier heights (BH) of as-deposited and 200 °C annealed SBDs are 0.80 eV ( I-V)/0.93 eV (C-V) and 0.87 eV (I-V)/1.03 eV (C-V). However, the BH rises to 0.99 eV (I-V)/　1.18 eV(C-V) and then slightly deceases to 0.92 eV (I-V)/1.03 eV (C-V) after annealing at 300 °C and 400 °C. The utmost BH is attained after annealing at 300 °C and thus the optimum annealing for SBD is 300 °C. By applying Cheung’s functions, the series resistance of the SBD is estimated. The BHs estimated by I-V, Cheung’s and Ψ S-V plot are closely matched; hence the techniques used here are consistency and validity. The interface state density of the as-deposited and annealed contacts are calculated and we found that the N SS decreases up to 300 °C annealing and then slightly increases after annealing at 400 °C. Analysis indicates that ohmic and space charge limited conduction mechanisms are found at low and higher voltages in forward-bias irrespective of annealing temperatures. Our experimental results demonstrate that the Poole-Frenkel emission is leading under the reverse bias of Dy/p-GaN SBD at all annealing temperatures.

Onset temperature for Si nanostructure growth on Si substrate during high vacuum electron beam annealing.

PubMed

Fang, F; Markwitz, A

2009-05-01

Silicon nanostructures, called Si nanowhiskers, are successfully synthesized on Si(100) substrate by high vacuum electron beam annealing. The onset temperature and duration needed for the Si nanowhiskers to grow was investigated. It was found that the onset and growth morphology of Si nanowhiskers strongly depend on the annealing temperature and duration applied in the annealing cycle. The onset temperature for nanowhisker growth was determined as 680 degrees C using an annealing duration of 90 min and temperature ramps of +5 degrees C s(-1) for heating and -100 degrees C s(-1) for cooling. Decreasing the annealing time at peak temperature to 5 min required an increase in peak temperature to 800 degrees C to initiate the nanowhisker growth. At 900 degrees C the duration for annealing at peak temperature can be set to 0 s to grow silicon nanowhiskers. A correlation was found between the variation in annealing temperature and duration and the nanowhisker height and density. Annealing at 900 degrees C for 0 s, only 2-3 nanowhiskers (average height 2.4 nm) grow on a surface area of 5 x 5 microm, whereas more than 500 nanowhiskers with an important average height of 4.6 nm for field emission applications grow on the same surface area for a sample annealed at 970 degrees C for 0 s. Selected results are presented showing the possibility of controlling the density and height of Si nanowhisker growth for field emission applications by applying different annealing temperature and duration.

Annealing of Complementary DNA Sequences During Double-Strand Break Repair in Drosophila Is Mediated by the Ortholog of SMARCAL1.

PubMed

Holsclaw, Julie Korda; Sekelsky, Jeff

2017-05-01

DNA double-strand breaks (DSBs) pose a serious threat to genomic integrity. If unrepaired, they can lead to chromosome fragmentation and cell death. If repaired incorrectly, they can cause mutations and chromosome rearrangements. DSBs are repaired using end-joining or homology-directed repair strategies, with the predominant form of homology-directed repair being synthesis-dependent strand annealing (SDSA). SDSA is the first defense against genomic rearrangements and information loss during DSB repair, making it a vital component of cell health and an attractive target for chemotherapeutic development. SDSA has also been proposed to be the primary mechanism for integration of large insertions during genome editing with CRISPR/Cas9. Despite the central role for SDSA in genome stability, little is known about the defining step: annealing. We hypothesized that annealing during SDSA is performed by the annealing helicase SMARCAL1, which can anneal RPA-coated single DNA strands during replication-associated DNA damage repair. We used unique genetic tools in Drosophila melanogaster to test whether the fly ortholog of SMARCAL1, Marcal1, mediates annealing during SDSA. Repair that requires annealing is significantly reduced in Marcal1 null mutants in both synthesis-dependent and synthesis-independent (single-strand annealing) assays. Elimination of the ATP-binding activity of Marcal1 also reduced annealing-dependent repair, suggesting that the annealing activity requires translocation along DNA. Unlike the null mutant, however, the ATP-binding defect mutant showed reduced end joining, shedding light on the interaction between SDSA and end-joining pathways. Copyright © 2017 by the Genetics Society of America.

Pro Free Will Priming Enhances “Risk-Taking” Behavior in the Iowa Gambling Task, but Not in the Balloon Analogue Risk Task: Two Independent Priming Studies

PubMed Central

Schrag, Yann; Tremea, Alessandro; Lagger, Cyril; Ohana, Noé; Mohr, Christine

2016-01-01

Studies indicated that people behave less responsibly after exposure to information containing deterministic statements as compared to free will statements or neutral statements. Thus, deterministic primes should lead to enhanced risk-taking behavior. We tested this prediction in two studies with healthy participants. In experiment 1, we tested 144 students (24 men) in the laboratory using the Iowa Gambling Task. In experiment 2, we tested 274 participants (104 men) online using the Balloon Analogue Risk Task. In the Iowa Gambling Task, the free will priming condition resulted in more risky decisions than both the deterministic and neutral priming conditions. We observed no priming effects on risk-taking behavior in the Balloon Analogue Risk Task. To explain these unpredicted findings, we consider the somatic marker hypothesis, a gain frequency approach as well as attention to gains and / or inattention to losses. In addition, we highlight the necessity to consider both pro free will and deterministic priming conditions in future studies. Importantly, our and previous results indicate that the effects of pro free will and deterministic priming do not oppose each other on a frequently assumed continuum. PMID:27018854

Pro Free Will Priming Enhances "Risk-Taking" Behavior in the Iowa Gambling Task, but Not in the Balloon Analogue Risk Task: Two Independent Priming Studies.

PubMed

Schrag, Yann; Tremea, Alessandro; Lagger, Cyril; Ohana, Noé; Mohr, Christine

2016-01-01

Studies indicated that people behave less responsibly after exposure to information containing deterministic statements as compared to free will statements or neutral statements. Thus, deterministic primes should lead to enhanced risk-taking behavior. We tested this prediction in two studies with healthy participants. In experiment 1, we tested 144 students (24 men) in the laboratory using the Iowa Gambling Task. In experiment 2, we tested 274 participants (104 men) online using the Balloon Analogue Risk Task. In the Iowa Gambling Task, the free will priming condition resulted in more risky decisions than both the deterministic and neutral priming conditions. We observed no priming effects on risk-taking behavior in the Balloon Analogue Risk Task. To explain these unpredicted findings, we consider the somatic marker hypothesis, a gain frequency approach as well as attention to gains and / or inattention to losses. In addition, we highlight the necessity to consider both pro free will and deterministic priming conditions in future studies. Importantly, our and previous results indicate that the effects of pro free will and deterministic priming do not oppose each other on a frequently assumed continuum.

10 CFR 50.66 - Requirements for thermal annealing of the reactor pressure vessel.

Code of Federal Regulations, 2014 CFR

2014-01-01

... be determined using the same basis as that used for the pre-anneal operating period. (B) The post... Annealing Report must include: a Thermal Annealing Operating Plan; a Requalification Inspection and Test... operation using appropriate test data. (iii) The methods, including heat source, instrumentation and...

10 CFR 50.66 - Requirements for thermal annealing of the reactor pressure vessel.

Code of Federal Regulations, 2013 CFR

2013-01-01

... be determined using the same basis as that used for the pre-anneal operating period. (B) The post... Annealing Report must include: a Thermal Annealing Operating Plan; a Requalification Inspection and Test... operation using appropriate test data. (iii) The methods, including heat source, instrumentation and...

10 CFR 50.66 - Requirements for thermal annealing of the reactor pressure vessel.

Code of Federal Regulations, 2012 CFR

2012-01-01

... be determined using the same basis as that used for the pre-anneal operating period. (B) The post... Annealing Report must include: a Thermal Annealing Operating Plan; a Requalification Inspection and Test... operation using appropriate test data. (iii) The methods, including heat source, instrumentation and...

10 CFR 50.66 - Requirements for thermal annealing of the reactor pressure vessel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... be determined using the same basis as that used for the pre-anneal operating period. (B) The post... Annealing Report must include: a Thermal Annealing Operating Plan; a Requalification Inspection and Test... operation using appropriate test data. (iii) The methods, including heat source, instrumentation and...

Ion implantation for deterministic single atom devices

NASA Astrophysics Data System (ADS)

Pacheco, J. L.; Singh, M.; Perry, D. L.; Wendt, J. R.; Ten Eyck, G.; Manginell, R. P.; Pluym, T.; Luhman, D. R.; Lilly, M. P.; Carroll, M. S.; Bielejec, E.

2017-12-01

We demonstrate a capability of deterministic doping at the single atom level using a combination of direct write focused ion beam and solid-state ion detectors. The focused ion beam system can position a single ion to within 35 nm of a targeted location and the detection system is sensitive to single low energy heavy ions. This platform can be used to deterministically fabricate single atom devices in materials where the nanostructure and ion detectors can be integrated, including donor-based qubits in Si and color centers in diamond.

Counterfactual Quantum Deterministic Key Distribution

NASA Astrophysics Data System (ADS)

Zhang, Sheng; Wang, Jian; Tang, Chao-Jing

2013-01-01

We propose a new counterfactual quantum cryptography protocol concerning about distributing a deterministic key. By adding a controlled blocking operation module to the original protocol [T.G. Noh, Phys. Rev. Lett. 103 (2009) 230501], the correlation between the polarizations of the two parties, Alice and Bob, is extended, therefore, one can distribute both deterministic keys and random ones using our protocol. We have also given a simple proof of the security of our protocol using the technique we ever applied to the original protocol. Most importantly, our analysis produces a bound tighter than the existing ones.

Ion implantation for deterministic single atom devices

DOE PAGES

Pacheco, J. L.; Singh, M.; Perry, D. L.; ...

2017-12-04

Here, we demonstrate a capability of deterministic doping at the single atom level using a combination of direct write focused ion beam and solid-state ion detectors. The focused ion beam system can position a single ion to within 35 nm of a targeted location and the detection system is sensitive to single low energy heavy ions. This platform can be used to deterministically fabricate single atom devices in materials where the nanostructure and ion detectors can be integrated, including donor-based qubits in Si and color centers in diamond.

Deterministic quantum splitter based on time-reversed Hong-Ou-Mandel interference

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

Chen, Jun; Lee, Kim Fook; Kumar, Prem

2007-09-15

By utilizing a fiber-based indistinguishable photon-pair source in the 1.55 {mu}m telecommunications band [J. Chen et al., Opt. Lett. 31, 2798 (2006)], we present the first, to the best of our knowledge, deterministic quantum splitter based on the principle of time-reversed Hong-Ou-Mandel quantum interference. The deterministically separated identical photons' indistinguishability is then verified by using a conventional Hong-Ou-Mandel quantum interference, which exhibits a near-unity dip visibility of 94{+-}1%, making this quantum splitter useful for various quantum information processing applications.

Benefits of Intercritical Annealing in Quenching and Partitioning Steel

NASA Astrophysics Data System (ADS)

Wang, X.; Liu, L.; Liu, R. D.; Huang, M. X.

2018-03-01

Compared to the quenching and partitioning (Q&P) steel produced by full austenization annealing, the Q&P steel produced by the intercritical annealing shows a similar ultimate tensile stress but a larger tensile ductility. This property is attributable to the higher volume fraction and the better mechanical stability of the retained austenite after the intercritical annealing. Moreover, intercritical annealing produces more ferrite and fewer martensite phases in the microstructure, making an additional contribution to a higher work hardening rate and therefore a better tensile ductility.

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.

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.

Yeast Pif1 Accelerates Annealing of Complementary DNA Strands

PubMed Central

2015-01-01

Pif1 is a helicase involved in the maintenance of nuclear and mitochondrial genomes in eukaryotes. Here we report a new activity of Saccharomyces cerevisiae Pif1, annealing of complementary DNA strands. We identified preferred substrates for annealing as those that generate a duplex product with a single-stranded overhang relative to a blunt end duplex. Importantly, we show that Pif1 can anneal DNA in the presence of ATP and Mg2+. Pif1-mediated annealing also occurs in the presence of single-stranded DNA binding proteins. Additionally, we show that partial duplex substrates with 3′-single-stranded overhangs such as those generated during double-strand break repair can be annealed by Pif1. PMID:25393406

Yeast Pif1 accelerates annealing of complementary DNA strands.

PubMed

Ramanagoudr-Bhojappa, Ramanagouda; Byrd, Alicia K; Dahl, Christopher; Raney, Kevin D

2014-12-09

Pif1 is a helicase involved in the maintenance of nuclear and mitochondrial genomes in eukaryotes. Here we report a new activity of Saccharomyces cerevisiae Pif1, annealing of complementary DNA strands. We identified preferred substrates for annealing as those that generate a duplex product with a single-stranded overhang relative to a blunt end duplex. Importantly, we show that Pif1 can anneal DNA in the presence of ATP and Mg(2+). Pif1-mediated annealing also occurs in the presence of single-stranded DNA binding proteins. Additionally, we show that partial duplex substrates with 3'-single-stranded overhangs such as those generated during double-strand break repair can be annealed by Pif1.

Development of {110}<001> annealing texture in Al-free and 0.1 %Mn-added 3 %Si-Fe alloy strips containing 95 ppm sulfur

NASA Astrophysics Data System (ADS)

Heo, N. H.; Yoon, G. G.

2010-04-01

The solubility of sulfur is calculated in 0.1 %Mn-added 3 %Si-Fe alloys. The segregation kinetics of sulfur is compared in the alloy containing 95 ppm sulfur, depending on the annealing atmosphere. The effects of pre-annealing and annealing atmosphere on final annealing texture are investigated. Segregation behaviors of sulfur at free surfaces and grain boundaries are compared and, during the selective growth, the importance of the grain boundary concentration of sulfur is emphasized. Finally, a correlation between the development of the annealing texture and segregation kinetics of sulfur in the alloy strip is discussed.

Changing contributions of stochastic and deterministic processes in community assembly over a successional gradient.

PubMed

Måren, Inger Elisabeth; Kapfer, Jutta; Aarrestad, Per Arild; Grytnes, John-Arvid; Vandvik, Vigdis

2018-01-01

Successional dynamics in plant community assembly may result from both deterministic and stochastic ecological processes. The relative importance of different ecological processes is expected to vary over the successional sequence, between different plant functional groups, and with the disturbance levels and land-use management regimes of the successional systems. We evaluate the relative importance of stochastic and deterministic processes in bryophyte and vascular plant community assembly after fire in grazed and ungrazed anthropogenic coastal heathlands in Northern Europe. A replicated series of post-fire successions (n = 12) were initiated under grazed and ungrazed conditions, and vegetation data were recorded in permanent plots over 13 years. We used redundancy analysis (RDA) to test for deterministic successional patterns in species composition repeated across the replicate successional series and analyses of co-occurrence to evaluate to what extent species respond synchronously along the successional gradient. Change in species co-occurrences over succession indicates stochastic successional dynamics at the species level (i.e., species equivalence), whereas constancy in co-occurrence indicates deterministic dynamics (successional niche differentiation). The RDA shows high and deterministic vascular plant community compositional change, especially early in succession. Co-occurrence analyses indicate stochastic species-level dynamics the first two years, which then give way to more deterministic replacements. Grazed and ungrazed successions are similar, but the early stage stochasticity is higher in ungrazed areas. Bryophyte communities in ungrazed successions resemble vascular plant communities. In contrast, bryophytes in grazed successions showed consistently high stochasticity and low determinism in both community composition and species co-occurrence. In conclusion, stochastic and individualistic species responses early in succession give way to more niche-driven dynamics in later successional stages. Grazing reduces predictability in both successional trends and species-level dynamics, especially in plant functional groups that are not well adapted to disturbance. © 2017 The Authors. Ecology, published by Wiley Periodicals, Inc., on behalf of the Ecological Society of America.

High annealing temperature induced rapid grain coarsening for efficient perovskite solar cells.

PubMed

Cao, Xiaobing; Zhi, Lili; Jia, Yi; Li, Yahui; Cui, Xian; Zhao, Ke; Ci, Lijie; Ding, Kongxian; Wei, Jinquan

2018-08-15

Thermal annealing plays multiple roles in fabricating high quality perovskite films. Generally, it might result in large perovskite grains by elevating annealing temperature, but might also lead to decomposition of perovskite. Here, we study the effects of annealing temperature on the coarsening of perovskite grains in a temperature range from 100 to 250 °C, and find that the coarsening rate of the perovskite grain increase significantly with the annealing temperature. Compared with the perovskite films annealed at 100 °C, high quality perovskite films with large columnar grains are obtained by annealing perovskite precursor films at 250 °C for only 10 s. As a result, the power conversion efficiency of best solar cell increased from 12.35% to 16.35% due to its low recombination rate and high efficient charge transportation in solar cells. Copyright © 2018. Published by Elsevier Inc.

High-resistive layers obtained through periodic growth and in situ annealing of InGaN by metalorganic chemical vapor deposition

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

Zhang, Shuo; Ma, Ping, E-mail: maping@semi.ac.cn; Liu, Boting

2016-06-15

High-resistive layers were obtained by periodic growth and in situ annealing of InGaN. The effect of the annealing temperature of InGaN on the indium content and the material sheet resistive was investigated. The indium content decreased as the increase of in situ annealing temperature. Additionally, the material sheet resistance increased with the increase of the in situ annealing temperature for the annealed samples and reached 2 × 10{sup 10}Ω/sq in the light and 2 × 10{sup 11}Ω/sq in the dark when the in situ annealing temperature reached 970{sup ∘}C. The acquirement of high-resistive layers is attributed to the generation ofmore » indium vacancy-related defects. Introducing indium vacancy-related defects to compensate background carriers can be an effective method to grow high-resistance material.« less

Ferromagnetic cobalt nanocrystals achieved by soft annealing approach—From individual behavior to mesoscopic organized properties

NASA Astrophysics Data System (ADS)

Petit, C.; Wang, Z. L.; Pileni, M. P.

2007-05-01

By gentle annealing, 7 nm cobalt nanoparticles synthesized by soft chemistry, are transformed to hard magnetic hexagonal close packed (HCP) cobalt nanocrystals without changing the size, size distribution and passivating layer. This method permits to recover the nanocrystals isolated in solution after the annealing process and then to study the magnetic properties of the HCP cobalt nanocrystals at isolated status or in a self-organized film. Monolayer self-assembly of the HCP cobalt nanocrystals is obtained, and due to the dipolar interaction, ferromagnetic behavior close to room temperature has been observed. The magnetic properties differ significantly due to the influence of the substrate on the annealing process. This different approach of the annealing process of nanocrystals is compared to the classical approach of annealing in which the nanocrystals are first deposited on a substrate and then annealed.

Defect annealing and thermal desorption of deuterium in low dose HFIR neutron-irradiated tungsten

NASA Astrophysics Data System (ADS)

Shimada, Masashi; Hara, Masanori; Otsuka, Teppei; Oya, Yasuhisa; Hatano, Yuji

2015-08-01

Three tungsten samples irradiated at High Flux Isotope Reactor at Oak Ridge National Laboratory were exposed to deuterium plasma (ion fluence of 1 × 1026 m-2) at three different temperatures (100, 200, and 500 °C) in Tritium Plasma Experiment at Idaho National Laboratory. Subsequently, thermal desorption spectroscopy was performed with a ramp rate of 10 °C min-1 up to 900 °C, and the samples were annealed at 900 °C for 0.5 h. These procedures were repeated three times to uncover defect-annealing effects on deuterium retention. The results show that deuterium retention decreases approximately 70% for at 500 °C after each annealing, and radiation damages were not annealed out completely even after the 3rd annealing. TMAP modeling revealed the trap concentration decreases approximately 80% after each annealing at 900 °C for 0.5 h.

Deterministic multidimensional nonuniform gap sampling.

PubMed

Worley, Bradley; Powers, Robert

2015-12-01

Born from empirical observations in nonuniformly sampled multidimensional NMR data relating to gaps between sampled points, the Poisson-gap sampling method has enjoyed widespread use in biomolecular NMR. While the majority of nonuniform sampling schemes are fully randomly drawn from probability densities that vary over a Nyquist grid, the Poisson-gap scheme employs constrained random deviates to minimize the gaps between sampled grid points. We describe a deterministic gap sampling method, based on the average behavior of Poisson-gap sampling, which performs comparably to its random counterpart with the additional benefit of completely deterministic behavior. We also introduce a general algorithm for multidimensional nonuniform sampling based on a gap equation, and apply it to yield a deterministic sampling scheme that combines burst-mode sampling features with those of Poisson-gap schemes. Finally, we derive a relationship between stochastic gap equations and the expectation value of their sampling probability densities. Copyright © 2015 Elsevier Inc. All rights reserved.

A Comparison of Probabilistic and Deterministic Campaign Analysis for Human Space Exploration

NASA Technical Reports Server (NTRS)

Merrill, R. Gabe; Andraschko, Mark; Stromgren, Chel; Cirillo, Bill; Earle, Kevin; Goodliff, Kandyce

2008-01-01

Human space exploration is by its very nature an uncertain endeavor. Vehicle reliability, technology development risk, budgetary uncertainty, and launch uncertainty all contribute to stochasticity in an exploration scenario. However, traditional strategic analysis has been done in a deterministic manner, analyzing and optimizing the performance of a series of planned missions. History has shown that exploration scenarios rarely follow such a planned schedule. This paper describes a methodology to integrate deterministic and probabilistic analysis of scenarios in support of human space exploration. Probabilistic strategic analysis is used to simulate "possible" scenario outcomes, based upon the likelihood of occurrence of certain events and a set of pre-determined contingency rules. The results of the probabilistic analysis are compared to the nominal results from the deterministic analysis to evaluate the robustness of the scenario to adverse events and to test and optimize contingency planning.

First Order Reliability Application and Verification Methods for Semistatic Structures

NASA Technical Reports Server (NTRS)

Verderaime, Vincent

1994-01-01

Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored by conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments, its stress audits are shown to be arbitrary and incomplete, and it compromises high strength materials performance. A reliability method is proposed which combines first order reliability principles with deterministic design variables and conventional test technique to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety index expression. The application is reduced to solving for a factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and with the pace of semistatic structural designs.

Apparatus for fixing latency

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

Hall, David R; Bartholomew, David B; Moon, Justin

2009-09-08

An apparatus for fixing computational latency within a deterministic region on a network comprises a network interface modem, a high priority module and at least one deterministic peripheral device. The network interface modem is in communication with the network. The high priority module is in communication with the network interface modem. The at least one deterministic peripheral device is connected to the high priority module. The high priority module comprises a packet assembler/disassembler, and hardware for performing at least one operation. Also disclosed is an apparatus for executing at least one instruction on a downhole device within a deterministic region,more » the apparatus comprising a control device, a downhole network, and a downhole device. The control device is near the surface of a downhole tool string. The downhole network is integrated into the tool string. The downhole device is in communication with the downhole network.« less

Stochastic Petri Net extension of a yeast cell cycle model.

PubMed

Mura, Ivan; Csikász-Nagy, Attila

2008-10-21

This paper presents the definition, solution and validation of a stochastic model of the budding yeast cell cycle, based on Stochastic Petri Nets (SPN). A specific family of SPNs is selected for building a stochastic version of a well-established deterministic model. We describe the procedure followed in defining the SPN model from the deterministic ODE model, a procedure that can be largely automated. The validation of the SPN model is conducted with respect to both the results provided by the deterministic one and the experimental results available from literature. The SPN model catches the behavior of the wild type budding yeast cells and a variety of mutants. We show that the stochastic model matches some characteristics of budding yeast cells that cannot be found with the deterministic model. The SPN model fine-tunes the simulation results, enriching the breadth and the quality of its outcome.

Effect of sample volume on metastable zone width and induction time

NASA Astrophysics Data System (ADS)

Kubota, Noriaki

2012-04-01

The metastable zone width (MSZW) and the induction time, measured for a large sample (say>0.1 L) are reproducible and deterministic, while, for a small sample (say<1 mL), these values are irreproducible and stochastic. Such behaviors of MSZW and induction time were theoretically discussed both with stochastic and deterministic models. Equations for the distribution of stochastic MSZW and induction time were derived. The average values of stochastic MSZW and induction time both decreased with an increase in sample volume, while, the deterministic MSZW and induction time remained unchanged. Such different behaviors with variation in sample volume were explained in terms of detection sensitivity of crystallization events. The average values of MSZW and induction time in the stochastic model were compared with the deterministic MSZW and induction time, respectively. Literature data reported for paracetamol aqueous solution were explained theoretically with the presented models.

Fencing network direct memory access data transfers in a parallel active messaging interface of a parallel computer

DOEpatents

Blocksome, Michael A.; Mamidala, Amith R.

2015-07-07

Fencing direct memory access (`DMA`) data transfers in a parallel active messaging interface (`PAMI`) of a parallel computer, the PAMI including data communications endpoints, each endpoint including specifications of a client, a context, and a task, the endpoints coupled for data communications through the PAMI and through DMA controllers operatively coupled to a deterministic data communications network through which the DMA controllers deliver data communications deterministically, including initiating execution through the PAMI of an ordered sequence of active DMA instructions for DMA data transfers between two endpoints, effecting deterministic DMA data transfers through a DMA controller and the deterministic data communications network; and executing through the PAMI, with no FENCE accounting for DMA data transfers, an active FENCE instruction, the FENCE instruction completing execution only after completion of all DMA instructions initiated prior to execution of the FENCE instruction for DMA data transfers between the two endpoints.

Fencing network direct memory access data transfers in a parallel active messaging interface of a parallel computer

DOEpatents

Blocksome, Michael A.; Mamidala, Amith R.

2015-07-14

Fencing direct memory access (`DMA`) data transfers in a parallel active messaging interface (`PAMI`) of a parallel computer, the PAMI including data communications endpoints, each endpoint including specifications of a client, a context, and a task, the endpoints coupled for data communications through the PAMI and through DMA controllers operatively coupled to a deterministic data communications network through which the DMA controllers deliver data communications deterministically, including initiating execution through the PAMI of an ordered sequence of active DMA instructions for DMA data transfers between two endpoints, effecting deterministic DMA data transfers through a DMA controller and the deterministic data communications network; and executing through the PAMI, with no FENCE accounting for DMA data transfers, an active FENCE instruction, the FENCE instruction completing execution only after completion of all DMA instructions initiated prior to execution of the FENCE instruction for DMA data transfers between the two endpoints.

10 CFR 50.66 - Requirements for thermal annealing of the reactor pressure vessel.

Code of Federal Regulations, 2011 CFR

2011-01-01

... be determined using the same basis as that used for the pre-anneal operating period. (B) The post... Annealing Report must include: a Thermal Annealing Operating Plan; a Requalification Inspection and Test... insulation, and on detrimental effects, if any, on containment and the biological shield. If the design...

Activation of boron and recrystallization in Ge preamorphization implant structure of ultra shallow junctions by microwave annealing

NASA Astrophysics Data System (ADS)

Tsai, Ming Han; Wu, Chi-Ting; Lee, Wen-His

2014-04-01

In this study, high-current and low-energy (400 eV) ion implantation and low-temperature microwave annealing were employed to achieve ultra shallow junctions. To use the characteristic of microwave annealing more effectively, two-step microwave annealing was also employed. In the first step annealing, a high-power (2400 W; ˜500 °C) microwave was used to achieve solid-state epitaxial regrowth (SPER) and enhance microwave absorption. In the second step of annealing, unlike in conventional thermal annealing, which requires a higher energy to activate the dopant, a 600 W (˜250 °C) microwave was used to achieve low sheet resistance. The device subjected to two-step microwave annealing at 2400 W for 300 s + 600 W for 600 s has the lowest Vth. It also has the lowest subthreshold swing (SS), which means that it has the highest cap ability to control sub threshold current. In these three devices, the largest Ion/Ioff ratio is 2.203 × 106, and the smallest Ion/Ioff ratio is 2.024 × 106.

Effects of annealing on arrays of Ge nanocolumns formed by glancing angle deposition

NASA Astrophysics Data System (ADS)

Khare, C.; Gerlach, J. W.; Höche, T.; Fuhrmann, B.; Leipner, H. S.; Rauschenbach, B.

2012-10-01

Post-deposition thermal annealing of glancing angle deposited Ge nanocolumn arrays was carried out in a continuous Ar-flow at temperatures ranging from TA = 300 to 800 °C for different annealing durations. Morphological alterations and the recrystallization process induced by the thermal annealing treatment were investigated for the Ge nanocolumns deposited on planar and pre-patterned Si substrates. From X-ray diffraction (XRD) measurements, the films annealed at TA ≥ 500 °C were found to be polycrystalline. On planar Si substrates, at TA = 600 °C nanocolumns exhibited strong coarsening and merging, while a complete disintegration of the nanocolumns was detected at TA = 700 °C. The morphology of nanostructures deposited on pre-patterned substrates differs substantially, where the merging or column-disintegration effect was absent at elevated annealing temperatures. The two-arm-chevron nanostructures grown on pre-patterned substrates retained their complex shape and morphology, after extended annealing intervals. Investigations by transmission electron microscopy revealed nanocrystalline domains of the order of 5-30 nm (in diameter) present within the chevron structures after the annealing treatment.

Molecular motions in sucrose-PVP and sucrose-sorbitol dispersions-II. Implications of annealing on secondary relaxations.

PubMed

Bhattacharya, Sisir; Bhardwaj, Sunny P; Suryanarayanan, Raj

2014-10-01

To determine the effect of annealing on the two secondary relaxations in amorphous sucrose and in sucrose solid dispersions. Sucrose was co-lyophilized with either PVP or sorbitol, annealed for different time periods and analyzed by dielectric spectroscopy. In an earlier investigation, we had documented the effect of PVP and sorbitol on the primary and the two secondary relaxations in amorphous sucrose solid dispersions (1). Here we investigated the effect of annealing on local motions, both in amorphous sucrose and in the dispersions. The average relaxation time of the local motion (irrespective of origin) in sucrose, decreased upon annealing. However, the heterogeneity in relaxation time distribution as well as the dielectric strength decreased only for β1- (the slower relaxation) but not for β2-relaxations. The effect of annealing on β2-relaxation times was neutralized by sorbitol while PVP negated the effect of annealing on both β1- and β2-relaxations. An increase in local mobility of sucrose brought about by annealing could be negated with an additive.

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

Effect of N2 Plasma Annealing on Properties of Fluorine Doped Silicon Dioxide Films with Low Dielectric Constant for Ultra-Large-Scale Integrated Circuits

NASA Astrophysics Data System (ADS)

Zhang, Wei; Wang, Peng-Fei; Ding, Shi-Jin; Wang, Ji-Tao; William, Wei Lee

2002-06-01

The influence of N2 plasma annealing on the properties of fluorine doped silicon oxide (SiOF) films is investigated. The stability of the dielectric constant of SiOF film is remarkably improved by the N2 plasma annealing. After enduring a moisture absorption test for six hours in a chamber with 60% humidity at 50°C, the dielectric constant variation of the annealed SiOF films is only 1.5%, while the variation for those SiOF films without annealing is 15.5%. Fourier transform infrared spectroscopic results show that the absorption peaks of Si-OH and H-OH of SiOF films are reduced after the N2 plasma annealing because the annealing can wipe off some unstable Si-F2 bonds in SiOF films. These unstable Si-F2 bonds are suitable to react with water, resulting in the degradation of SiOF film properties. Therefore, the N2 plasma annealing meliorates the properties of SiOF films with low dielectric constant.

Deformation and annealing response of TD-nickel chromium sheet

NASA Technical Reports Server (NTRS)

Kane, R. D.; Ebert, L. J.

1973-01-01

The deformation and annealing response of TD-nickel chromium (TD-NiCr) 0.1 inch thick sheet was examined using various cold-rolling and annealing treatments. Upon annealing (above 816 C (1500 F), the as-received material was converted from an initially ultra-fine grain size (average grain dimension 0.51 micron) to a large grain structure. Increases in grain size by a factor of 100 to 200 were observed for this transformation. However, in those material states where the large grain transformation was absent, a fine grain recrystallized structure formed upon annealing (above 732 C (1350 F)). The deformation and annealing response of TD-NiCr sheet was evaluated with respect to the processing related variables as mode and severity of deformation and annealing temperature. Results indicate that the large grain transformation, classical primary recrystallization occurs. Using selected materials produced during the deformation and annealing study, the elevated temperature tensile properties of TD-NiCr sheet were examined in the temperature range 593 C (1100 F) to 1093 C (2000 F). It was observed that the elevated temperature tensile properties of TD-NiCr sheet could be optimized by the stabilization of a large grain size in this material using the cold working and/or annealing treatments developed during the present investigation.

Positron annihilation study of the interfacial defects in ZnO nanocrystals: Correlation with ferromagnetism

NASA Astrophysics Data System (ADS)

Wang, Dong; Chen, Z. Q.; Wang, D. D.; Qi, N.; Gong, J.; Cao, C. Y.; Tang, Z.

2010-01-01

High purity ZnO nanopowders were pressed into pellets and annealed in air between 100 and 1200 °C. The crystal quality and grain size of the ZnO nanocrystals were investigated by x-ray diffraction 2θ scans. Annealing induces an increase in the grain size from 25 to 165 nm with temperature increasing from 400 to 1200 °C. Scanning electron microscopy and high-resolution transmission electron microscopy observations also confirm the grain growth during annealing. Positron annihilation measurements reveal vacancy defects including Zn vacancies, vacancy clusters, and voids in the grain boundary region. The voids show an easy recovery after annealing at 100-700 °C. However, Zn vacancies and vacancy clusters observed by positrons remain unchanged after annealing at temperatures below 500 °C and begin to recover at higher temperatures. After annealing at temperatures higher than 1000 °C, no positron trapping by the interfacial defects can be observed. Raman spectroscopy studies confirm the recovery of lattice disorder after annealing. Hysteresis loops are observed for the 100 and 400 °C annealed samples, which indicate ferromagnetism in ZnO nanocrystals. However, the ferromagnetism disappears after annealing above 700 °C, suggesting that it might originate from the surface defects such as Zn vacancies.

Scalable effective-temperature reduction for quantum annealers via nested quantum annealing correction

NASA Astrophysics Data System (ADS)

Vinci, Walter; Lidar, Daniel A.

2018-02-01

Nested quantum annealing correction (NQAC) is an error-correcting scheme for quantum annealing that allows for the encoding of a logical qubit into an arbitrarily large number of physical qubits. The encoding replaces each logical qubit by a complete graph of degree C . The nesting level C represents the distance of the error-correcting code and controls the amount of protection against thermal and control errors. Theoretical mean-field analyses and empirical data obtained with a D-Wave Two quantum annealer (supporting up to 512 qubits) showed that NQAC has the potential to achieve a scalable effective-temperature reduction, Teff˜C-η , with 0 <η ≤2 . We confirm that this scaling is preserved when NQAC is tested on a D-Wave 2000Q device (supporting up to 2048 qubits). In addition, we show that NQAC can also be used in sampling problems to lower the effective-temperature of a quantum annealer. Such effective-temperature reduction is relevant for machine-learning applications. Since we demonstrate that NQAC achieves error correction via a reduction of the effective-temperature of the quantum annealing device, our results address the problem of the "temperature scaling law for quantum annealers," which requires the temperature of quantum annealers to be reduced as problems of larger sizes are attempted to be solved.

Complete p-type activation in vertical-gradient freeze GaAs co-implanted with gallium and carbon

NASA Astrophysics Data System (ADS)

Horng, S. T.; Goorsky, M. S.

1996-03-01

High-resolution triple-axis x-ray diffractometry and Hall-effect measurements were used to characterize damage evolution and electrical activation in gallium arsenide co-implanted with gallium and carbon ions. Complete p-type activation of GaAs co-implanted with 5×1014 Ga cm-2 and 5×1014 C cm-2 was achieved after rapid thermal annealing at 1100 °C for 10 s. X-ray diffuse scattering was found to increase after rapid thermal annealing at 600-900 °C due to the aggregation of implantation-induced point defects. In this annealing range, there was ˜10%-72% activation. After annealing at higher annealing temperatures, the diffuse scattered intensity decreased drastically; samples that had been annealed at 1000 °C (80% activated) and 1100 °C (˜100% activated) exhibited reciprocal space maps that were indicative of high crystallinity. The hole mobility was about 60 cm2/V s for all samples annealed at 800 °C and above, indicating that the crystal perfection influences dopant activation more strongly than it influences mobility. Since the high-temperature annealing simultaneously increases dopant activation and reduces x-ray diffuse scattering, we conclude that point defect complexes which form at lower annealing temperatures are responsible for both the diffuse scatter and the reduced activation.

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.

Burst annealing of high temperature GaAs solar cells

NASA Technical Reports Server (NTRS)

Brothers, P. R.; Horne, W. E.

1991-01-01

One of the major limitations of solar cells in space power systems is their vulnerability to radiation damage. One solution to this problem is to periodically heat the cells to anneal the radiation damage. Annealing was demonstrated with silicon cells. The obstacle to annealing of GaAs cells was their susceptibility to thermal damage at the temperatures required to completely anneal the radiation damage. GaAs cells with high temperature contacts and encapsulation were developed. The cells tested are designed for concentrator use at 30 suns AMO. The circular active area is 2.5 mm in diameter for an area of 0.05 sq cm. Typical one sun AMO efficiency of these cells is over 18 percent. The cells were demonstrated to be resistant to damage after thermal excursions in excess of 600 C. This high temperature tolerance should allow these cells to survive the annealing of radiation damage. A limited set of experiments were devised to investigate the feasibility of annealing these high temperature cells. The effect of repeated cycles of electron and proton irradiation was tested. The damage mechanisms were analyzed. Limitations in annealing recovery suggested improvements in cell design for more complete recovery. These preliminary experiments also indicate the need for further study to isolate damage mechanisms. The primary objective of the experiments was to demonstrate and quantify the annealing behavior of high temperature GaAs cells. Secondary objectives were to measure the radiation degradation and to determine the effect of repeated irradiation and anneal cycles.

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.

Schottky barrier parameters and structural properties of rapidly annealed Zr Schottky electrode on p-type GaN

NASA Astrophysics Data System (ADS)

Rajagopal Reddy, V.; Asha, B.; Choi, Chel-Jong

2017-06-01

The Schottky barrier junction parameters and structural properties of Zr/p-GaN Schottky diode are explored at various annealing temperatures. Experimental analysis showed that the barrier height (BH) of the Zr/p-GaN Schottky diode increases with annealing at 400 °C (0.92 eV (I-V)/1.09 eV (C-V)) compared to the as-deposited one (0.83 eV (I-V)/0.93 eV (C-V)). However, the BH decreases after annealing at 500 °C. Also, at different annealing temperatures, the series resistance and BH are assessed by Cheung's functions and their values compared. Further, the interface state density (N SS) of the diode decreases after annealing at 400 °C and then somewhat rises upon annealing at 500 °C. Analysis reveals that the maximum BH is obtained at 400 °C, and thus the optimum annealing temperature is 400 °C for the diode. The XPS and XRD analysis revealed that the increase in BH may be attributed to the creation of Zr-N phases with increasing annealing up to 400 °C. The BH reduces for the diode annealed at 500 °C, which may be due to the formation of Ga-Zr phases at the junction. The AFM measurements reveal that the overall surface roughness of the Zr film is quite smooth during rapid annealing process. Project supported by the R&D Program for Industrial Core Technology (No. 10045216) and the Transfer Machine Specialized Lighting Core Technology Development Professional Manpower Training Project (No. N0001363) Funded by the Ministry of Trade, Industry and Energy (MOTIE), Republic of Korea.

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

Doualle, T.; Gallais, L., E-mail: laurent.gallais@fresnel.fr; Cormont, P.

We investigate the effect of different heat treatments on the laser-induced damage probabilities of fused silica samples. Isothermal annealing in a furnace is applied, with different temperatures in the range 700–1100 °C and 12 h annealing time, to super-polished fused silica samples. The surface flatness and laser damage probabilities at 3 ns, 351 nm are measured before and after the different annealing procedures. We have found a significant improvement of the initial laser damage probabilities of the silica surface after annealing at 1050 °C for 12 h. A similar study has been conducted on CO{sub 2} laser-processed sites on the surface of the samples. Before andmore » after annealing, we have studied the morphology of the sites, the evolution of residual stress, and the laser-induced damage threshold measured at 351 nm, 3 ns. In this case, we observe that the laser damage resistance of the laser created craters can reach the damage level of the bare fused silica surface after the annealing process, with a complete stress relieve. The obtained results are then compared to the case of local annealing process by CO{sub 2} laser irradiation during 1 s, and we found similar improvements in both cases. The different results obtained in the study are compared to numerical simulations made with a thermo-mechanical model based on finite-element method that allows the simulation of the isothermal or the local annealing process, the evolution of stress and fictive temperature. The simulation results were found to be very consistent with experimental observations for the stresses evolution after annealing and estimation of the heat affected area during laser-processing based on the density dependence with fictive temperature. Following this work, the temperature for local annealing should reach 1330–1470 °C for an optimized reduction of damage probability and be below the threshold for material removal, whereas furnace annealing should be kept below the annealing point to avoid sample deformation.« less

DOE`s annealing prototype demonstration projects

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

Warren, J.; Nakos, J.; Rochau, G.

1997-02-01

One of the challenges U.S. utilities face in addressing technical issues associated with the aging of nuclear power plants is the long-term effect of plant operation on reactor pressure vessels (RPVs). As a nuclear plant operates, its RPV is exposed to neutrons. For certain plants, this neutron exposure can cause embrittlement of some of the RPV welds which can shorten the useful life of the RPV. This RPV embrittlement issue has the potential to affect the continued operation of a number of operating U.S. pressurized water reactor (PWR) plants. However, RPV material properties affected by long-term irradiation are recoverable throughmore » a thermal annealing treatment of the RPV. Although a dozen Russian-designed RPVs and several U.S. military vessels have been successfully annealed, U.S. utilities have stated that a successful annealing demonstration of a U.S. RPV is a prerequisite for annealing a licensed U.S. nuclear power plant. In May 1995, the Department of Energy`s Sandia National Laboratories awarded two cost-shared contracts to evaluate the feasibility of annealing U.S. licensed plants by conducting an anneal of an installed RPV using two different heating technologies. The contracts were awarded to the American Society of Mechanical Engineers (ASME) Center for Research and Technology Development (CRTD) and MPR Associates (MPR). The ASME team completed its annealing prototype demonstration in July 1996, using an indirect gas furnace at the uncompleted Public Service of Indiana`s Marble Hill nuclear power plant. The MPR team`s annealing prototype demonstration was scheduled to be completed in early 1997, using a direct heat electrical furnace at the uncompleted Consumers Power Company`s nuclear power plant at Midland, Michigan. This paper describes the Department`s annealing prototype demonstration goals and objectives; the tasks, deliverables, and results to date for each annealing prototype demonstration; and the remaining annealing technology challenges.« less

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.

Study of shallow junction formation by boron-containing cluster ion implantation of silicon and two-stage annealing

NASA Astrophysics Data System (ADS)

Lu, Xin-Ming

Shallow junction formation made by low energy ion implantation and rapid thermal annealing is facing a major challenge for ULSI (ultra large scale integration) as the line width decreases down to the sub micrometer region. The issues include low beam current, the channeling effect in low energy ion implantation and TED (transient enhanced diffusion) during annealing after ion implantation. In this work, boron containing small cluster ions, such as GeB, SiB and SiB2, was generated by using the SNICS (source of negative ion by cesium sputtering) ion source to implant into Si substrates to form shallow junctions. The use of boron containing cluster ions effectively reduces the boron energy while keeping the energy of the cluster ion beam at a high level. At the same time, it reduces the channeling effect due to amorphization by co-implanted heavy atoms like Ge and Si. Cluster ions have been used to produce 0.65--2keV boron for low energy ion implantation. Two stage annealing, which is a combination of low temperature (550°C) preannealing and high temperature annealing (1000°C), was carried out to anneal the Si sample implanted by GeB, SiBn clusters. The key concept of two-step annealing, that is, the separation of crystal regrowth, point defects removal with dopant activation from dopant diffusion, is discussed in detail. The advantages of the two stage annealing include better lattice structure, better dopant activation and retarded boron diffusion. The junction depth of the two stage annealed GeB sample was only half that of the one-step annealed sample, indicating that TED was suppressed by two stage annealing. Junction depths as small as 30 nm have been achieved by two stage annealing of sample implanted with 5 x 10-4/cm2 of 5 keV GeB at 1000°C for 1 second. The samples were evaluated by SIMS (secondary ion mass spectrometry) profiling, TEM (transmission electron microscopy) and RBS (Rutherford Backscattering Spectrometry)/channeling. Cluster ion implantation in combination with two-step annealing is effective in fabricating ultra-shallow junctions.

Realistic Simulation for Body Area and Body-To-Body Networks

PubMed Central

Alam, Muhammad Mahtab; Ben Hamida, Elyes; Ben Arbia, Dhafer; Maman, Mickael; Mani, Francesco; Denis, Benoit; D’Errico, Raffaele

2016-01-01

In this paper, we present an accurate and realistic simulation for body area networks (BAN) and body-to-body networks (BBN) using deterministic and semi-deterministic approaches. First, in the semi-deterministic approach, a real-time measurement campaign is performed, which is further characterized through statistical analysis. It is able to generate link-correlated and time-varying realistic traces (i.e., with consistent mobility patterns) for on-body and body-to-body shadowing and fading, including body orientations and rotations, by means of stochastic channel models. The full deterministic approach is particularly targeted to enhance IEEE 802.15.6 proposed channel models by introducing space and time variations (i.e., dynamic distances) through biomechanical modeling. In addition, it helps to accurately model the radio link by identifying the link types and corresponding path loss factors for line of sight (LOS) and non-line of sight (NLOS). This approach is particularly important for links that vary over time due to mobility. It is also important to add that the communication and protocol stack, including the physical (PHY), medium access control (MAC) and networking models, is developed for BAN and BBN, and the IEEE 802.15.6 compliance standard is provided as a benchmark for future research works of the community. Finally, the two approaches are compared in terms of the successful packet delivery ratio, packet delay and energy efficiency. The results show that the semi-deterministic approach is the best option; however, for the diversity of the mobility patterns and scenarios applicable, biomechanical modeling and the deterministic approach are better choices. PMID:27104537

Realistic Simulation for Body Area and Body-To-Body Networks.

PubMed

Alam, Muhammad Mahtab; Ben Hamida, Elyes; Ben Arbia, Dhafer; Maman, Mickael; Mani, Francesco; Denis, Benoit; D'Errico, Raffaele

2016-04-20

In this paper, we present an accurate and realistic simulation for body area networks (BAN) and body-to-body networks (BBN) using deterministic and semi-deterministic approaches. First, in the semi-deterministic approach, a real-time measurement campaign is performed, which is further characterized through statistical analysis. It is able to generate link-correlated and time-varying realistic traces (i.e., with consistent mobility patterns) for on-body and body-to-body shadowing and fading, including body orientations and rotations, by means of stochastic channel models. The full deterministic approach is particularly targeted to enhance IEEE 802.15.6 proposed channel models by introducing space and time variations (i.e., dynamic distances) through biomechanical modeling. In addition, it helps to accurately model the radio link by identifying the link types and corresponding path loss factors for line of sight (LOS) and non-line of sight (NLOS). This approach is particularly important for links that vary over time due to mobility. It is also important to add that the communication and protocol stack, including the physical (PHY), medium access control (MAC) and networking models, is developed for BAN and BBN, and the IEEE 802.15.6 compliance standard is provided as a benchmark for future research works of the community. Finally, the two approaches are compared in terms of the successful packet delivery ratio, packet delay and energy efficiency. The results show that the semi-deterministic approach is the best option; however, for the diversity of the mobility patterns and scenarios applicable, biomechanical modeling and the deterministic approach are better choices.

({The) Solar System Large Planets influence on a new Maunder Miniμm}

NASA Astrophysics Data System (ADS)

Yndestad, Harald; Solheim, Jan-Erik

2016-04-01

In 1890´s G. Spörer and E. W. Maunder (1890) reported that the solar activity stopped in a period of 70 years from 1645 to 1715. Later a reconstruction of the solar activity confirms the grand minima Maunder (1640-1720), Spörer (1390-1550), Wolf (1270-1340), and the minima Oort (1010-1070) and Dalton (1785-1810) since the year 1000 A.D. (Usoskin et al. 2007). These minimum periods have been associated with less irradiation from the Sun and cold climate periods on Earth. An identification of a three grand Maunder type periods and two Dalton type periods in a period thousand years, indicates that sooner or later there will be a colder climate on Earth from a new Maunder- or Dalton- type period. The cause of these minimum periods, are not well understood. An expected new Maunder-type period is based on the properties of solar variability. If the solar variability has a deterministic element, we can estimate better a new Maunder grand minimum. A random solar variability can only explain the past. This investigation is based on the simple idea that if the solar variability has a deterministic property, it must have a deterministic source, as a first cause. If this deterministic source is known, we can compute better estimates the next expected Maunder grand minimum period. The study is based on a TSI ACRIM data series from 1700, a TSI ACRIM data series from 1000 A.D., sunspot data series from 1611 and a Solar Barycenter orbit data series from 1000. The analysis method is based on a wavelet spectrum analysis, to identify stationary periods, coincidence periods and their phase relations. The result shows that the TSI variability and the sunspots variability have deterministic oscillations, controlled by the large planets Jupiter, Uranus and Neptune, as the first cause. A deterministic model of TSI variability and sunspot variability confirms the known minimum and grand minimum periods since 1000. From this deterministic model we may expect a new Maunder type sunspot minimum period from about 2018 to 2055. The deterministic model of a TSI ACRIM data series from 1700 computes a new Maunder type grand minimum period from 2015 to 2071. A model of the longer TSI ACRIM data series from 1000 computes a new Dalton to Maunder type minimum irradiation period from 2047 to 2068.

Computational Multiqubit Tunnelling in Programmable Quantum Annealers

DTIC Science & Technology

2016-08-25

ARTICLE Received 3 Jun 2015 | Accepted 26 Nov 2015 | Published 7 Jan 2016 Computational multiqubit tunnelling in programmable quantum annealers...state itself. Quantum tunnelling has been hypothesized as an advantageous physical resource for optimization in quantum annealing. However, computational ...qubit tunnelling plays a computational role in a currently available programmable quantum annealer. We devise a probe for tunnelling, a computational

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.

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.

Effect of annealing on structural, optical and electrical properties of SILAR synthesized CuO thin film

NASA Astrophysics Data System (ADS)

Das, M. R.; Mukherjee, A.; Mitra, P.

2017-05-01

Nano crystalline CuO thin films were synthesize on glass substrate using SILAR technique. The structural, optical and electrical properties of the films were carried out for as deposited as well as for films post annealed in the temperature range 300 - 500° C. The X-ray diffraction pattern shows all the films are polycrystalline in nature with monoclinic phase. The crystallite size increase and lattice strain decreases with increase of annealing temperature indicating high quality of the films for annealed films. The value of band gap decreases with increases of annealing temperature of the film. The effect of annealing temperature on ionic conductivity and activation energy to electrical conduction process are discussed.

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

Ultrafast Self-Assembly of Sub-10 nm Block Copolymer Nanostructures by Solvent-Free High-Temperature Laser Annealing.

PubMed

Jiang, Jing; Jacobs, Alan G; Wenning, Brandon; Liedel, Clemens; Thompson, Michael O; Ober, Christopher K

2017-09-20

Laser spike annealing was applied to PS-b-PDMS diblock copolymers to induce short-time (millisecond time scale), high-temperature (300 to 700 °C) microphase segregation and directed self-assembly of sub-10 nm features. Conditions were identified that enabled uniform microphase separation in the time frame of tens of milliseconds. Microphase ordering improved with increased temperature and annealing time, whereas phase separation contrast was lost for very short annealing times at high temperature. PMMA brush underlayers aided ordering under otherwise identical laser annealing conditions. Good long-range order for sub-10 nm cylinder morphology was achieved using graphoepitaxy coupled with a 20 ms dwell laser spike anneal above 440 °C.

Effect of annealing induced residual stress on the resonance frequency of SiO2 microcantilevers

NASA Astrophysics Data System (ADS)

Balasubramanian, S.; Prabakar, K.; Tripura Sundari, S.

2018-04-01

In the present work, effect of residual stress, induced due to annealing of SiO2 microcantilevers (MCs) on their resonance frequency is studied. SiO2MCs of various dimensions were fabricated using direct laser writer & wet chemical etching method and were annealed at 800 °C in oxygen environment, post release. The residual stress was estimated from the deflection profile of the MCs measured using 3D optical microscope, before and after annealing. Resonance frequency of the MCs was measured using nano-vibration analyzer and was found to change after annealing. Further the frequency shift was found to depend on the MC dimensions. This is attributed to the large stress gradients induced by annealing and associated stiffness changes.

Deterministic Computer-Controlled Polishing Process for High-Energy X-Ray Optics

NASA Technical Reports Server (NTRS)

Khan, Gufran S.; Gubarev, Mikhail; Speegle, Chet; Ramsey, Brian

2010-01-01

A deterministic computer-controlled polishing process for large X-ray mirror mandrels is presented. Using tool s influence function and material removal rate extracted from polishing experiments, design considerations of polishing laps and optimized operating parameters are discussed

Solving difficult problems creatively: a role for energy optimised deterministic/stochastic hybrid computing

PubMed Central

Palmer, Tim N.; O’Shea, Michael

2015-01-01

How is the brain configured for creativity? What is the computational substrate for ‘eureka’ moments of insight? Here we argue that creative thinking arises ultimately from a synergy between low-energy stochastic and energy-intensive deterministic processing, and is a by-product of a nervous system whose signal-processing capability per unit of available energy has become highly energy optimised. We suggest that the stochastic component has its origin in thermal (ultimately quantum decoherent) noise affecting the activity of neurons. Without this component, deterministic computational models of the brain are incomplete. PMID:26528173

Deterministic and efficient quantum cryptography based on Bell's theorem

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

Chen Zengbing; Pan Jianwei; Physikalisches Institut, Universitaet Heidelberg, Philosophenweg 12, 69120 Heidelberg

2006-05-15

We propose a double-entanglement-based quantum cryptography protocol that is both efficient and deterministic. The proposal uses photon pairs with entanglement both in polarization and in time degrees of freedom; each measurement in which both of the two communicating parties register a photon can establish one and only one perfect correlation, and thus deterministically create a key bit. Eavesdropping can be detected by violation of local realism. A variation of the protocol shows a higher security, similar to the six-state protocol, under individual attacks. Our scheme allows a robust implementation under the current technology.

Heart rate variability as determinism with jump stochastic parameters.

PubMed

Zheng, Jiongxuan; Skufca, Joseph D; Bollt, Erik M

2013-08-01

We use measured heart rate information (RR intervals) to develop a one-dimensional nonlinear map that describes short term deterministic behavior in the data. Our study suggests that there is a stochastic parameter with persistence which causes the heart rate and rhythm system to wander about a bifurcation point. We propose a modified circle map with a jump process noise term as a model which can qualitatively capture such this behavior of low dimensional transient determinism with occasional (stochastically defined) jumps from one deterministic system to another within a one parameter family of deterministic systems.

Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead-based applications

NASA Astrophysics Data System (ADS)

Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

2017-04-01

This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead-encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin-biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules.

Stochastic assembly in a subtropical forest chronosequence: evidence from contrasting changes of species, phylogenetic and functional dissimilarity over succession.

PubMed

Mi, Xiangcheng; Swenson, Nathan G; Jia, Qi; Rao, Mide; Feng, Gang; Ren, Haibao; Bebber, Daniel P; Ma, Keping

2016-09-07

Deterministic and stochastic processes jointly determine the community dynamics of forest succession. However, it has been widely held in previous studies that deterministic processes dominate forest succession. Furthermore, inference of mechanisms for community assembly may be misleading if based on a single axis of diversity alone. In this study, we evaluated the relative roles of deterministic and stochastic processes along a disturbance gradient by integrating species, functional, and phylogenetic beta diversity in a subtropical forest chronosequence in Southeastern China. We found a general pattern of increasing species turnover, but little-to-no change in phylogenetic and functional turnover over succession at two spatial scales. Meanwhile, the phylogenetic and functional beta diversity were not significantly different from random expectation. This result suggested a dominance of stochastic assembly, contrary to the general expectation that deterministic processes dominate forest succession. On the other hand, we found significant interactions of environment and disturbance and limited evidence for significant deviations of phylogenetic or functional turnover from random expectations for different size classes. This result provided weak evidence of deterministic processes over succession. Stochastic assembly of forest succession suggests that post-disturbance restoration may be largely unpredictable and difficult to control in subtropical forests.

Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead-based applications.

PubMed

Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

2017-04-10

This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead-encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin-biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules.

Discrete-State Stochastic Models of Calcium-Regulated Calcium Influx and Subspace Dynamics Are Not Well-Approximated by ODEs That Neglect Concentration Fluctuations

PubMed Central

Weinberg, Seth H.; Smith, Gregory D.

2012-01-01

Cardiac myocyte calcium signaling is often modeled using deterministic ordinary differential equations (ODEs) and mass-action kinetics. However, spatially restricted “domains” associated with calcium influx are small enough (e.g., 10−17 liters) that local signaling may involve 1–100 calcium ions. Is it appropriate to model the dynamics of subspace calcium using deterministic ODEs or, alternatively, do we require stochastic descriptions that account for the fundamentally discrete nature of these local calcium signals? To address this question, we constructed a minimal Markov model of a calcium-regulated calcium channel and associated subspace. We compared the expected value of fluctuating subspace calcium concentration (a result that accounts for the small subspace volume) with the corresponding deterministic model (an approximation that assumes large system size). When subspace calcium did not regulate calcium influx, the deterministic and stochastic descriptions agreed. However, when calcium binding altered channel activity in the model, the continuous deterministic description often deviated significantly from the discrete stochastic model, unless the subspace volume is unrealistically large and/or the kinetics of the calcium binding are sufficiently fast. This principle was also demonstrated using a physiologically realistic model of calmodulin regulation of L-type calcium channels introduced by Yue and coworkers. PMID:23509597

Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead–based applications

PubMed Central

Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

2017-01-01

This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead–encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin–biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules. PMID:28393911

Mixing Single Scattering Properties in Vector Radiative Transfer for Deterministic and Stochastic Solutions

NASA Astrophysics Data System (ADS)

Mukherjee, L.; Zhai, P.; Hu, Y.; Winker, D. M.

2016-12-01

Among the primary factors, which determine the polarized radiation, field of a turbid medium are the single scattering properties of the medium. When multiple types of scatterers are present, the single scattering properties of the scatterers need to be properly mixed in order to find the solutions to the vector radiative transfer theory (VRT). The VRT solvers can be divided into two types: deterministic and stochastic. The deterministic solver can only accept one set of single scattering property in its smallest discretized spatial volume. When the medium contains more than one kind of scatterer, their single scattering properties are averaged, and then used as input for the deterministic solver. The stochastic solver, can work with different kinds of scatterers explicitly. In this work, two different mixing schemes are studied using the Successive Order of Scattering (SOS) method and Monte Carlo (MC) methods. One scheme is used for deterministic and the other is used for the stochastic Monte Carlo method. It is found that the solutions from the two VRT solvers using two different mixing schemes agree with each other extremely well. This confirms the equivalence to the two mixing schemes and also provides a benchmark for the VRT solution for the medium studied.

Effect of thermal annealing on the structural, optical and dielectrical properties of P3HT:PC{sub 70}BM nanocomposites

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

Aloui, Walid, E-mail: alouiwalid26@yahoo.fr; Adhikari, Tham; Nunzi, Jean-Michel

2016-06-15

Highlights: • A typical structure of ITO/PEDOT: PSS/P3HT: PC{sub 70}BM/Al was fabricated. • Charge carrier diffusion and recombination have been calculated. • AFM and optical results show that thermal annealing promotes the phase separation. • The annealing process improves the transport of charges. - Abstract: The effect of thermal annealing on the optical, structural and the dielectric properties of P3HT:PC{sub 70}BM blended films were investigated. By means of atomic force microscopy, we observed the morphology evolution of the annealed P3HT:PC{sub 70}BM nanocomposites. Raman spectroscopy showed a substantial ordering in the polymer film after annealing. The absorption spectra of the annealedmore » P3HT:PC{sub 70}BM films were improved and red shifted than un-annealed samples. The results indicate that the P3HT in the nanocomposite becomes an ordered structure with annealing. The ordered P3HT facilitates the charge transport. From the photoluminescence measurements, the formation of polymer crystallites was observed upon annealing. Thus, the device efficiency reaches 2.2% after annealing at 150 °C. Impedance spectroscopy shows the classical complex plan curves; the low frequency is related to the effective lifetime of charge carriers and the high frequency corresponds to the diffusion time of these carriers. Global mobilities are in the range 3.8–4.6 × 10{sup −3} cm{sup 2} V{sup −1} s{sup −1}.« less

Effect of annealing temperature on the stress and structural properties of Ge core fibre

NASA Astrophysics Data System (ADS)

Zhao, Ziwen; Cheng, Xueli; Xue, Fei; He, Ting; Wang, Tingyun

2017-09-01

Effect of annealing temperature on the stress and structural properties of a Ge core fibre via the molten core drawing (MCD) method is investigated using Raman spectroscopy, Scanning electronic microscopy (SEM), and X-ray diffraction. The experimental results showed that the Raman peak position of the Ge fibre shifted from 297.6 cm-1 to 300.5 cm-1, and the FWHM value decreased from 4.53 cm-1 to 4.31 cm-1, when the annealing is carried out at 700 °C, 800 °C, and 900 °C, respectively. For the Ge core annealed at 900 °C, an apparent crystal grain can be seen in the SEM image, and the diffraction peaks of the (3 3 1) plane are generated in the X-ray diffraction spectra. These results show that optimising the annealing temperature allows the release of the residual stress in the Ge core. When the Ge core fibre is annealed at 900 °C, it exhibits the lowest residual stress and the highest crystal quality, and the quality improvement relative to that of the sample annealed at 800 °C is significant. Hence, annealing at around 900 °C can greatly improve the quality of a Ge core fibre. Further performance improvement of the Ge core fibre by annealing techniques can be anticipated.

Processing-Structure-Property Relationships in Laser-Annealed PbSe Nanocrystal Thin Films.

PubMed

Treml, Benjamin E; Robbins, Andrew B; Whitham, Kevin; Smilgies, Detlef-M; Thompson, Michael O; Hanrath, Tobias

2015-01-01

As nanocrystal (NC) synthesis techniques and device architectures advance, it becomes increasingly apparent that new ways of connecting NCs with each other and their external environment are required to realize their considerable potential. Enhancing inter-NC coupling by thermal annealing has been a long-standing challenge. Conventional thermal annealing approaches are limited by the challenge of annealing the NC at sufficiently high temperatures to remove surface-bound ligands while at the same time limiting the thermal budget to prevent large-scale aggregation. Here we investigate nonequilibrium laser annealing of NC thin films that enables separation of the kinetic and thermodynamic aspects of nanocrystal fusion. We show that laser annealing of NC assemblies on nano- to microsecond time scales can transform initially isolated NCs in a thin film into an interconnected structure in which proximate dots "just touch". We investigate both pulsed laser annealing and laser spike annealing and show that both annealing methods can produce "confined-but-connected" nanocrystal films. We develop a thermal transport model to rationalize the differences in resulting film morphologies. Finally we show that the insights gained from study of nanocrystal mono- and bilayers can be extended to three-dimensional NC films. The basic processing-structure-property relationships established in this work provide guidance to future advances in creating functional thin films in which constituent NCs can purposefully interact.

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.

Vacuum-annealing induced enhancements in the transparent conducting properties of Mo  +  F doped ZnO thin films

NASA Astrophysics Data System (ADS)

Dineshbabu, N.; Ravichandran, K.

2017-09-01

The decisive aim of the present study is to enhance the transparent conducting properties of Mo  +  F co-doped ZnO films through annealing. In this work, Mo  +  F co-doped ZnO (MFZO) films were deposited on glass substrates at a deposition temperature of 350 °C using a home-made nebulizer spray pyrolysis technique and the prepared samples were annealed under air and vacuum atmosphere at 400 °C for 2 h. The structural, electrical, optical, surface morphological and elemental properties of as-deposited, air-annealed and vacuum-annealed samples were compared using various analytical techniques. The vacuum-annealed sample shows lowest resistivity of 1.364  ×  10-3 Ω cm and high transmittance of 90% in the visible region with high ohmic conducting nature. The optical bandgap of the sample was found to be increased to 3.36 eV after vacuum annealing treatment. The XRD patterns of the films confirmed the polycrystalline nature. The PL measurements show the defect levels of the deposited films. The FESEM and AFM studies show an increase in the grain size and roughness of the films, respectively, after vacuum-annealing treatment. The presence of the elements before and after annealing treatment was confirmed using XPS analysis.

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 %.

Microstructure evolution during helium irradiation and post-irradiation annealing in a nanostructured reduced activation steel

NASA Astrophysics Data System (ADS)

Liu, W. B.; Ji, Y. Z.; Tan, P. K.; Zhang, C.; He, C. H.; Yang, Z. G.

2016-10-01

Severe plastic deformation, intense single-beam He-ion irradiation and post-irradiation annealing were performed on a nanostructured reduced activation ferritic/martensitic (RAFM) steel to investigate the effect of grain boundaries (GBs) on its microstructure evolution during these processes. A surface layer with a depth-dependent nanocrystalline (NC) microstructure was prepared in the RAFM steel using surface mechanical attrition treatment (SMAT). Microstructure evolution after helium (He) irradiation (24.8 dpa) at room temperature and after post-irradiation annealing was investigated using Transmission Electron Microscopy (TEM). Experimental observation shows that GBs play an important role during both the irradiation and the post-irradiation annealing process. He bubbles are preferentially trapped at GBs/interfaces during irradiation and cavities with large sizes are also preferentially trapped at GBs/interfaces during post-irradiation annealing, but void denuded zones (VDZs) near GBs could not be unambiguously observed. Compared with cavities at GBs and within larger grains, cavities with smaller size and higher density are found in smaller grains. The average size of cavities increases rapidly with the increase of time during post-irradiation annealing at 823 K. Cavities with a large size are observed just after annealing for 5 min, although many of the cavities with small sizes also exist after annealing for 240 min. The potential mechanism of cavity growth behavior during post-irradiation annealing is also discussed.

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.

Influence of Annealing Duration on the Growth of V2O5 Nanorods Synthesized by Spray Pyrolysis Technique

NASA Astrophysics Data System (ADS)

Abd-Alghafour, N. M.; Ahmed, Naser M.; Hassan, Z.; Abubakar, D.; Bououdina, M.

2016-06-01

This paper deals with the investigation of annealing effects on the structural, morphological and optical properties of V2O5 nanorods (NRs) grown on the glass substrates by using chemical spray pyrolysis technique. The as-prepared samples were annealed at 500∘ for 40, 60 and 120 min in a quartz tube furnace. The high resolution X-ray diffraction (XRD) analysis revealed V2O5 NRs with preferred orientation along (001) plane. The crystallite size of the V2O5 NRs was increased by increasing the annealing duration. The morphological observations using field emission scanning electron microscope (FESEM) displayed NRs structures whose diameter and length were found to increase with increase of the annealing duration. The transmission electron microscopy (TEM) analysis confirmed the orthorhombic structures of the NRs. The AFM measurements indicated an increase of the average surface roughness by increasing the annealing time. The Raman spectroscopy revealed V-O-V phonon mode in the NRs annealed for 120 min. The optical bandgap was found in the range 2.6-2.58eV and observed to decrease with various duration annealed.

Temperature dependent surface and spectral modifications of nano V2O5 films

NASA Astrophysics Data System (ADS)

Manthrammel, M. Aslam; Fatehmulla, A.; Al-Dhafiri, A. M.; Alshammari, A. S.; Khan, Aslam

2017-03-01

Nanocrystalline V2O5 films have been deposited on glass substrates at 300°C substrate temperature using thermal evaporation technique and were subjected to thermal annealing at different temperatures 350, 400, and 550°C. X-ray diffraction (XRD) spectra exhibit sharper and broader characteristic peaks respectively indicating the rearrangement of nanocrystallite phases with annealing temperatures. Other phases of vanadium oxides started emerging with the rise in annealing temperature and the sample converted completely to VO2 (B) phase at 550°C annealing. FESEM images showed an increase in crystallite size with 350 and 400°C annealing temperatures followed by a decrease in crystallite size for the sample annealed at 550°C. Transmission spectra showed an initial redshift of the fundamental band edge with 350 and 400°C while a blue shift for the sample annealed at 550°C, which was in agreement with XRD and SEM results. The films exhibited smart window properties as well as nanorod growth at specific annealing temperatures. Apart from showing the PL and defect related peaks, PL studies also supported the observations made in the transmission spectra.

Controlling the microstructure and associated magnetic properties of Ni 0.2Mn 3.2Ga 0.6 melt-spun ribbons by annealing

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

Khan, Mahmud; Alshammari, Ohud; Balasubramanian, Balamurugan

2017-03-01

Here we report on the structural and magnetic properties of Ni 0.2Mn 3.2Ga 0.6 melt-spun ribbons. The as-spun ribbons were found to exhibit mixed cubic phases that transform to non-cubic structure upon annealing. Additionally, an amorphous phase was found to co-exist in all ribbons. The SEM images show that minor grain formation occurs on the as-spun ribbons. However, the formation of extensive nano-grains was observed on the surfaces of the annealed ribbons. While the as-spun ribbons exhibit predominantly paramagnetic behavior, the ribbons annealed under various thermal conditions were found to be ferromagnetic with a Curie temperature of about 380 K.more » The ribbons annealed at 450 °C for 30 minutes exhibit a large coercive field of about 2500 Oe. The experimental results show that the microstructure and associated magnetic properties of the ribbons can be controlled by annealing techniques. The coercive fields and the shape of the magnetic hysteresis loops vary significantly with annealing conditions. As a result, exchange bias effects have also been observed in the annealed ribbons.« less

High temperature annealing of minority carrier traps in irradiated MOCVD n(+)p InP solar cell junctions

NASA Technical Reports Server (NTRS)

Messenger, S. R.; Walters, R. J.; Summers, G. P.

1993-01-01

Deep level transient spectroscopy was used to monitor thermal annealing of trapping centers in electron irradiated n(+)p InP junctions grown by metalorganic chemical vapor deposition, at temperatures ranging from 500 up to 650K. Special emphasis is given to the behavior of the minority carrier (electron) traps EA (0.24 eV), EC (0.12 eV), and ED (0.31 eV) which have received considerably less attention than the majority carrier (hole) traps H3, H4, and H5, although this work does extend the annealing behavior of the hole traps to higher temperatures than previously reported. It is found that H5 begins to anneal above 500K and is completely removed by 630K. The electron traps begin to anneal above 540K and are reduced to about half intensity by 630K. Although they each have slightly different annealing temperatures, EA, EC, and ED are all removed by 650K. A new hole trap called H3'(0.33 eV) grows as the other traps anneal and is the only trap remaining at 650K. This annealing behavior is much different than that reported for diffused junctions.

Evolution of Helium Bubbles and Discs in Irradiated 6H-SiC during Post-Implantation Annealing.

PubMed

Shen, Qiang; Zhou, Wei; Ran, Guang; Li, Ruixiang; Feng, Qijie; Li, Ning

2017-01-24

The single crystal 6H-SiC with [0001] crystal direction irradiated by 400 keV He⁺ ions with 1 × 10 17 ions/cm² fluence at 400 °C were annealed at 600, 900, 1200 and 1400 °C for different durations. The evolution of helium bubbles and discs was investigated by transmission electron microscopy. An irradiated layer distributed with fine helium bubbles was formed with a width of ~170 nm after helium ion irradiation. The size of gas bubbles increased with increasing annealing time and temperature and finally reached stable values at a given annealing temperature. According to the relationship between the bubble radii and annealing time, an empirical formula for calculating the bubble radii at the annealing temperature ranged from 600 to 1400 °C was given by fitting the experiment data. Planar bubble clusters (discs) were found to form on (0001) crystal plane at both sides of the bubble layer when the annealing temperature was at the range of 800-1200 °C. The mechanism of bubble growth during post-implantation annealing and the formation of bubble discs were also analyzed and discussed.

Effect of annealing on structural, optical, and electrical properties of nickel (Ni)/indium tin oxide (ITO) nanostructures prepared by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Sobri, M.; Shuhaimi, A.; Hakim, K. M.; Ganesh, V.; Mamat, M. H.; Mazwan, M.; Najwa, S.; Ameera, N.; Yusnizam, Y.; Rusop, M.

2014-06-01

Nickel (Ni)/indium tin oxide (ITO) nanostructures were deposited on glass and silicon (1 1 1) substrates by RF magnetron sputtering using nickel and ITO (In-Sn, 90-10%) targets. The post-deposition annealing has been performed for Ni/ITO films in air. The effect of annealing temperature on the electrical, optical and structural properties of ITO films was studied. We found the appearance of (6 2 2) peak in addition to (4 0 0) and (2 2 2) major peaks, which indicates an enhancement of the film crystallinity at high temperature annealing of 650 °C. The samples show higher transmittance of more than 90% at 470 nm after annealing which is suitable for blue light emitting diode (LED) application. The optical energy bandgap is shifted from 3.51 to 3.65 eV for the Ni/ITO film after annealing at 650 °C. In addition, increasing the annealing temperature improves the film electrical properties. The resistivity value decreases from 3.77 × 10-5 Ω cm to 1.09 × 10-6 Ω cm upon increasing annealing temperature.

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.

Effects of rapid thermal annealing on the contact of tungsten/p-diamond

NASA Astrophysics Data System (ADS)

Zhao, D.; Li, F. N.; Liu, Z. C.; Chen, X. D.; Wang, Y. F.; Shao, G. Q.; Zhu, T. F.; Zhang, M. H.; Zhang, J. W.; Wang, J. J.; Wang, W.; Wang, H. X.

2018-06-01

The electrical properties, surface morphology and interface characteristics of W/p-diamond contact before and after annealing have been investigated. It is shown that the as-fabricated W/p-diamond contact exhibited non-linear behavior. After annealing at a temperature higher than 400 °C, the W/p-diamond contact showed ohmic behaviour. The specific contact resistance of W/p-diamond was 8.2 × 10-4 Ω·cm2 after annealing at 500 °C for 3 min in a N2 ambient, which was extracted from fitting the I-V relationship of TLM. It is noted that the RMS roughness increases with the annealing temperature increasing, which could be ascribed to the formation of WOX by the reaction of W and oxygen at high temperature. The XPS measurement showed that the barrier height of the W/p-diamond is 0.45 ± 0.12 eV after annealing at 500 °C. Furthermore, the formation of defects at the W/p-diamond interface, probably created by the formation of tungsten carbide during rapid thermal annealing, should be responsible for the ohmic formation of W/p-diamond after annealing at high temperature.

A low thermal impact annealing process for SiO2-embedded Si nanocrystals with optimized interface quality

NASA Astrophysics Data System (ADS)

Hiller, Daniel; Gutsch, Sebastian; Hartel, Andreas M.; Löper, Philipp; Gebel, Thoralf; Zacharias, Margit

2014-04-01

Silicon nanocrystals (Si NCs) for 3rd generation photovoltaics or optoelectronic applications can be produced by several industrially compatible physical or chemical vapor deposition technologies. A major obstacle for the integration into a fabrication process is the typical annealing to form and crystallize these Si quantum dots (QDs) which involves temperatures ≥1100 °C for 1 h. This standard annealing procedure allows for interface qualities that correspond to more than 95% dangling bond defect free Si NCs. We study the possibilities to use rapid thermal annealing (RTA) and flash lamp annealing to crystallize the Si QDs within seconds or milliseconds at high temperatures. The Si NC interface of such samples exhibits huge dangling bond defect densities which makes them inapplicable for photovoltaics or optoelectronics. However, if the RTA high temperature annealing is combined with a medium temperature inert gas post-annealing and a H2 passivation, luminescent Si NC fractions of up to 90% can be achieved with a significantly reduced thermal load. A new figure or merit, the relative dopant diffusion length, is introduced as a measure for the impact of a Si NC annealing procedure on doping profiles of device structures.

Improvement of the thermal stability of Nb:TiO2-x samples for uncooled infrared detectors

NASA Astrophysics Data System (ADS)

Reddy, Y. Ashok Kumar; Kang, In-Ku; Shin, Young Bong; Lee, Hee Chul

2018-01-01

In order to reduce the sun-burn effect in a sample of the bolometric material Nb:TiO2-x , oxygen annealing was carried out. This effect can be examined by comparing thermal stability test results between the as-deposited and oxygen-atmosphere-annealed samples under high-temperature exposure conditions. Structural studies confirm the presence of amorphous and rutile phases in the as-deposited and annealed samples, respectively. Composition studies reveal the offset of oxygen vacancies in the Nb:TiO2-x samples through oxygen-atmosphere annealing. The oxygen atoms were diffused and seemed to occupy the vacant sites in the annealed samples. As a result, the annealed samples show better thermal stability performance than the as-deposited samples. The universal bolometric parameter (β) values were slightly decreased in the oxygen-annealed Nb:TiO2-x samples. Although bolometric performance was slightly decreased in the oxygen-annealed samples, high thermal stability would be the most essential factor in the case of special applications, such as the military and space industries. Finally, these results will be very useful for reducing the sun-burn effect in infrared detectors.

Influence of p-GaN annealing on the optical and electrical properties of InGaN/GaN MQW LEDs

NASA Astrophysics Data System (ADS)

Sun, Li; Weng, Guo-En; Liang, Ming-Ming; Ying, Lei-Ying; Lv, Xue-Qin; Zhang, Jiang-Yong; Zhang, Bao-Ping

2014-06-01

Optical and electrical properties of InGaN/GaN multiple quantum wells (MQWs) light emitting diodes (LEDs) annealed in pure O2 ambient (500 °C) and pure N2 ambient (800 °C) were systematically investigated. The temperature-dependent photoluminescence measurements showed that high-temperature thermal annealing in N2 ambient can induce indium clusters in InGaN MQWs. Although the deep traps induced by indium clusters can act as localized centers for carriers, there are many more dislocations out of the trap centers due to high-temperature annealing. As a result, the radiative efficiency of the sample annealed in N2 ambient was lower than that annealed in O2 ambient at room temperature. Electrical measurements demonstrated that the LEDs annealed in O2 ambient were featured by a lower forward voltage and there was an increase of ~41% in wall-plug efficiency at 20 mA in comparison with the LEDs annealed in N2 ambient. It is thus concluded that activation of the Mg-doped p-GaN layer should be carried out at a low-temperature O2 ambient so as to obtain LEDs with better performance.

Controlled atmosphere annealing of ion implanted gallium arsenide. Final report 1 Jul 76-30 Nov 79

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

Anderson, C.L.; Eu, V.; Feng, M.

1980-08-01

Controlled atmosphere techniques were developed as an alternative to dielectric encapsulation for the high temperature anneal of ion implanted layers in GaAs. Two approaches: (1) the controlled atmosphere technique (CAT), and (2) the melt controlled ambient technique (MCAT) have been investigated. Using the CAT procedure, which involves annealing in flowing hydrogen with an arsenic overpressure, annealing without detectable surface erosion, has been performed at temperatures as high as 950 C, with or without encapsulants. Impurity diffusion, damage recovery, and electrical activity were investigated as a function of anneal parameters. Range studies of technologically important impurities such as S, Si, Se,more » Be and Mg were carried out. For the first time the role of the encapsulant on implanted profile degradation and the importance of Cr redistribution during the anneal cycle were determined. An improved CAT anneal system capable of production quantity throughput was developed and is in current use for device processing.« less

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.

Effect of thermal annealing on the thermoluminescent properties of nano-calcium fluoride and its dose-response characteristics.

PubMed

Mundupuzhakal, J K; Biswas, R H; Chauhan, S; Varma, V; Acharya, Y B; Chakrabarty, B S

2015-12-01

Nano-CaF2, prepared by the co-precipitation method, was annealed under different annealing conditions to improve its thermoluminescence (TL) characteristics. Different annealing parameters, such as temperature (400-700°C), duration (1-4 h) and environment (vacuum and air), were explored. The effect on TL sensitivity, peak position (Tm) and full-width at half-maximum (FWHM) with respect to the different annealing conditions are discussed as they are the measure of crystallinity of the material. Annealing temperature of 500°C with annealing duration of two and a half hours in vacuum provided the highest luminescence response (i.e. maximum sensitivity, minimum peak temperature and FWHM). Wide detectable dose range (5 mGy to 2 kGy), absence of thermal quenching and sufficient activation energy (1.04 eV) of this phosphor make it suitable for dosimetric applications. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

A comparative study of annealing of waxy, normal and high-amylose maize starches: the role of amylose molecules.

PubMed

Wang, Shujun; Wang, Jinrong; Yu, Jinglin; Wang, Shuo

2014-12-01

The effect of annealing on starch structure and functionality of three maize starches (waxy, normal and high-amylose) was investigated, with the aim of understanding the role of amylose molecules during starch annealing. Amylose content, granular morphology and crystallinity of maize starches were little affected by annealing treatment. Annealing treatment did not alter the swelling power of waxy maize starch, but reduced the swelling power of normal and high-amylose maize starches. The thermal transition temperatures were increased, and the temperature range was decreased, but the enthalpy change was not affected greatly. The pasting viscosities of normal and waxy maize starches were decreased significantly, with the pasting temperature being little affected. The in vitro digestibility of three maize starches was not affected significantly by annealing treatment. Our results demonstrated that amylose molecules play an important role in the structural reorganization of starch granules during annealing treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.

Properties of WO3-x Electrochromic Thin Film Prepared by Reactive Sputtering with Various Post Annealing Temperatures

NASA Astrophysics Data System (ADS)

Kim, Min Hong; Choi, Hyung Wook; Kim, Kyung Hwan

2013-11-01

The WO3-x thin films were prepared on indium tin oxide (ITO) coated glass at 0.7 oxygen flow ratio [O2/(Ar+O2)] using the facing targets sputtering (FTS) system at room temperature. In order to obtain the annealing effect, as-deposited thin films were annealed at temperatures of 100, 200, 300, 400, and 500 °C for 1 h in open air. The structural properties of the WO3-x thin film were measured using an X-ray diffractometer. The WO3-x thin films annealed at up to 300 °C indicated amorphous properties, while those annealed above 400 °C indicated crystalline properties. The electrochemical and optical properties of WO3-x thin films were measured using cyclic voltammetry and a UV/vis spectrometer. The maximum value of coloration efficiency obtained was 34.09 cm2/C for thin film annealed at 200 °C. The WO3-x thin film annealed at 200 °C showed superior electrochromic properties.

Effect of annealing on structural and luminescence properties of Eu3+ doped NaYF4 phosphor

NASA Astrophysics Data System (ADS)

Pathak, Trilok K.; Kumar, Ashwini; Swart, H. C.; Kroon, R. E.

2018-04-01

Eu3+ doped NaYF4 phosphors have been synthesized by the combustion method. The effect of annealing on the structural, morphological and luminescence properties has been investigated. X-ray diffraction analysis revealed that the Eu3+ doped NaYF4 phosphors consisted of mixed phases: α-phase and β-phase which were affected by the annealing of the phosphor. The surface morphology showed a significant change with annealing in the Eu3+ doped NaYF4 phosphors. The elemental mapping and energy dispersive X-ray spectroscopy spectra proved the formation of the desired materials. The photoluminescence spectra illustrated the optical properties of Eu3+ in the as-prepared and annealed Eu3+ doped NaYF4 phosphors. The intensity of the peaks 5D0 → 7F2 and 5D0 → 7F1 varied in as-prepared and annealed samples. The lifetime of the Eu3+ luminescence at 615 nm was also weakly affected by the Eu3+ doping and annealing temperature.

Long annealing effect on spin Seebeck devices fabricated using Ce x Y3- x Fe5O12 deposited by metal-organic decomposition

NASA Astrophysics Data System (ADS)

Ono, Tatsuyoshi; Hirata, Satoshi; Amemiya, Yoshiteru; Tabei, Tetsuo; Yokoyama, Shin

2018-04-01

The effects of Ce content and annealing temperature on the electromotive force produced by spin Seebeck devices fabricated using Ce x Y3- x Fe5O12 deposited by metal-organic decomposition was investigated. The Ce content was first varied (x = 0,1,2,3) for a fixed annealing condition of 3 h at 900 °C. It was found that increasing the Ce content led to a decrease in electromotive force, which meant that x = 0 was the optimum Ce content. Next, the effect of annealing temperature was investigated for a Ce1Y2Fe5O12 film for an annealing time of 14 h. The highest electromotive force of 24.0 µV/50 °C was obtained for a sample annealed for 14 h at 800 °C, although the X-ray diffraction peaks were weaker than those for a sample annealed for 14 h at 950 °C.

Improved electrical properties after post annealing of Ba0.7Sr0.3TiO3 thin films for MIM capacitor applications

NASA Astrophysics Data System (ADS)

Rouahi, A.; Kahouli, A.; Sylvestre, A.; Jomni, F.; Defaÿ, E.; Yangui, B.

2012-11-01

Dielectric measurements have been performed on ion beam sputtering (IBS) barium strontium titanate Ba0.7Sr0.3TiO3 thin films at annealing temperatures 470 and 700 °C using impedance spectroscopy. The effect of the annealing temperature upon the electrical properties of the films is also investigated using capacitance-voltage techniques. Increasing annealing temperature suggested the increases of density and grain size, whereas the density of the trapped oxygen vacancy may be decreasing with increasing annealing temperature. The barrier height ( E a) of the oxygen vacancy decreases with increasing annealing temperature. The C- V characteristics were investigated in relation to the annealing temperature to identify the anomalous capacitance in the MIM configuration films. Among all measurement temperatures, it was observed that the data fit well by the "LGD" model. The interfacial effect and its dependence of morphology structure have been studied, and the results are discussed.

Boosting quantum annealer performance via sample persistence

NASA Astrophysics Data System (ADS)

Karimi, Hamed; Rosenberg, Gili

2017-07-01

We propose a novel method for reducing the number of variables in quadratic unconstrained binary optimization problems, using a quantum annealer (or any sampler) to fix the value of a large portion of the variables to values that have a high probability of being optimal. The resulting problems are usually much easier for the quantum annealer to solve, due to their being smaller and consisting of disconnected components. This approach significantly increases the success rate and number of observations of the best known energy value in samples obtained from the quantum annealer, when compared with calling the quantum annealer without using it, even when using fewer annealing cycles. Use of the method results in a considerable improvement in success metrics even for problems with high-precision couplers and biases, which are more challenging for the quantum annealer to solve. The results are further enhanced by applying the method iteratively and combining it with classical pre-processing. We present results for both Chimera graph-structured problems and embedded problems from a real-world application.

Direct observation of small cluster mobility and ripening. [during annealing of metal films on amorphous substrates

NASA Technical Reports Server (NTRS)

Heinemann, K.; Poppa, H.

1975-01-01

Direct evidence is reported for the simultaneous occurrence of Ostwald ripening and short-distance cluster mobility during annealing of discontinuous metal films on clean amorphous substrates. The annealing characteristics of very thin particulate deposits of silver on amorphized clean surfaces of single crystalline thin graphite substrates were studied by in-situ transmission electron microscopy (TEM) under controlled environmental conditions (residual gas pressure of 10 to the minus 9th power torr) in the temperature range from 25 to 450 C. Sputter cleaning of the substrate surface, metal deposition, and annealing were monitored by TEM observation. Pseudostereographic presentation of micrographs in different annealing stages, the observation of the annealing behavior at cast shadow edges, and measurements with an electronic image analyzing system were employed to aid the visual perception and the analysis of changes in deposit structure recorded during annealing. Slow Ostwald ripening was found to occur in the entire temperature range, but the overriding surface transport mechanism was short-distance cluster mobility.

[Fabrication of annealing equipment for optically stimulated luminescence (OSL) dosimeter].

PubMed

Nakagawa, Kohei; Hayashi, Hiroaki; Okino, Hiroki; Takegami, Kazuki; Okazaki, Tohru; Kobayashi, Ikuo

2014-10-01

The optically stimulated luminescence (OSL) dosimeter is a useful detector for measuring absorbed doses of X-rays. A small-type OSL dosimeter, "nanoDot", has recently been developed by Landauer, Inc., who also manufacture "microStar" reading equipment. However, additional annealing equipment is needed if the nanoDot OSL dosimeter is used repeatedly. The aim of this study was to fabricate suitable annealing equipment using commonly available products. Our device positions four fluorescent light tubes in a close configuration. The heat from the fluorescent light tubes is dissipated using fans. Experiments using diagnostic X-ray equipment were carried out to evaluate the capability of our annealing equipment. The results indicated that our equipment can fully anneal the nanoDot OSL dosimeter with annealing times of approximately 20 hours.

Growth of WSi2 in phosphorous-implanted W/«Si» couples

NASA Astrophysics Data System (ADS)

Ma, E.; Lim, B. S.; Nicolet, M.-A.; Alvi, N. S.; Hamdi, A. H.

1988-05-01

The thermal reaction of rf-sputter-deposited tungsten films with a (100) silicon substrate is investigated by vacuum furnace annealing and rapid thermal annealing. An irradiation of the W/Si interface by a phosphorous ion beam at room temperature prior to annealing promotes a uniform interfacial growth of WSi2. The growth of WSi2 follows diffusion-controlled kinetics during both furnace annealing and rapid thermal processing. A growth law of x2 = kt is obtained for furnace annealing between 690 and 740° C, where x is the thickness of the compound, t is the annealing duration after an initial incubation period and k = 62 (cm2/s) exp (--3.0 eV/kT). The surface smoothness of the suicide films improves with increasing ion dose.

Effects of substitution of Mo for Nb on less-common properties of Finemet alloys

NASA Astrophysics Data System (ADS)

Butvin, P.; Butvinová, B.; Silveyra, J. M.; Chromčíková, M.; Janičkovič, D.; Sitek, J.; Švec, P.; Vlasák, G.

2010-10-01

Particular properties of Fe-Nb/Mo-Cu-B-Si rapidly quenched ribbons were examined. Apart from minor variation, no significant difference due to the Mo for Nb substitution was observed in alloy density and its annealing-induced changes. The same holds for the anisotropic thermal expansion of as-cast ribbon when annealed and for induced anisotropy when annealed under stress. The Mo-substituted ribbons show only slightly higher crystallinity and lower coercivity if annealed in inert gas ambience than in vacuum. Some diversity in surface to interior heterogeneity of the differently annealed ribbons can still be distinguished. Preserving a minor percentage of Nb together with Mo does not seem substantiated to obtain favorable soft magnetic properties of ribbons annealed in inert gas.

Investigation of the annealing temperature effect on structural, morphology, dielectric and magnetic properties of BiFeO3 nanoparticles

NASA Astrophysics Data System (ADS)

Ranjbar, M.; Ghazi, M. E.; Izadifard, M.

2018-06-01

In this paper we have investigated the annealing temperature effect on the structure, morphology, dielectric and magnetic properties of sol-gel synthesized multiferroic BiFeO3 nanoparticles. X-ray diffraction spectroscopy revealed that all the samples have rhombohedrally distorted perovskite structure and the most pure BFO phase is obtained on the sample annealed at 800 °C. Field emission scanning electron microscopy (FESEM) revealed that increasing annealing temperature would increase the particle size. Decrease in dielectric constant was also observed by increasing annealing temperature. Vibrating sample method (VSM) analysis confirmed that samples annealed at 500-700 °C with particle size below the BFO's spiral spin structure length, have well saturated M-H curve and show ferromagnetic behavior.

Exponential Speedup of Quantum Annealing by Inhomogeneous Driving of the Transverse Field

NASA Astrophysics Data System (ADS)

Susa, Yuki; Yamashiro, Yu; Yamamoto, Masayuki; Nishimori, Hidetoshi

2018-02-01

We show, for quantum annealing, that a certain type of inhomogeneous driving of the transverse field erases first-order quantum phase transitions in the p-body interacting mean-field-type model with and without longitudinal random field. Since a first-order phase transition poses a serious difficulty for quantum annealing (adiabatic quantum computing) due to the exponentially small energy gap, the removal of first-order transitions means an exponential speedup of the annealing process. The present method may serve as a simple protocol for the performance enhancement of quantum annealing, complementary to non-stoquastic Hamiltonians.

Research on annealing and properties of TlBr crystals for radiation detector use

NASA Astrophysics Data System (ADS)

Zhiping, Zheng; Yongtao, Yu; Dongxiang, Zhou; Shuping, Gong; Qiuyun, Fu

2014-03-01

In this paper, annealing was carried out in air after cutting, polishing and etching to eliminate defects introduced by crystal and wafer preparation work. The effect of annealing temperature and time on the properties of TlBr crystals was investigated. The crystal quality was characterized by infrared (IR) transmittance spectrum, I-V measurement, XRD and energy response spectrum. In the annealing temperature range (100-320 °C) applied, it was found that higher temperature was more effective for improving quality. Furthermore, it is proved that an appropriate annealing time is vital for better crystal quality.

Structural and electrical properties of Se-hyperdoped Si via ion implantation and flash lamp annealing

NASA Astrophysics Data System (ADS)

Liu, Fang; Prucnal, S.; Yuan, Ye; Heller, R.; Berencén, Y.; Böttger, R.; Rebohle, L.; Skorupa, W.; Helm, M.; Zhou, S.

2018-06-01

We report on the hyperdoping of silicon with selenium obtained by ion implantation followed by flash lamp annealing. It is shown that the degree of crystalline lattice recovery of the implanted layers and the Se substitutional fraction depend on the pulse duration and energy density of the flash. While the annealing at low energy densities leads to an incomplete recrystallization, annealing at high energy densities results in a decrease of the substitutional fraction of impurities. The electrical properties of the implanted layers are well-correlated with the structural properties resulting from different annealing processing.

Effect of initial hydrogen content of a titanium alloy on susceptibility to hot-salt stress-corrosion

NASA Technical Reports Server (NTRS)

Gray, H. R.

1971-01-01

The Ti-8Al-1Mo-1V alloy was tested in four conditions: mill annealed (70 ppM H), duplex annealed (70 ppM H), vacuum annealed to an intermediate (36 ppM) and a low (9 ppM H) hydrogen level. Material annealed at 650 C (duplex condition) exhibited resistance to hot-salt stress corrosion superior to that exhibited by material in the mill-annealed condition. Reduction of the alloy hydrogen content from 70 to as low as 9 ppM did not influence resistance to hot-salt stress corrosion embrittlement or cracking.

Deterministic models for traffic jams

NASA Astrophysics Data System (ADS)

Nagel, Kai; Herrmann, Hans J.

1993-10-01

We study several deterministic one-dimensional traffic models. For integer positions and velocities we find the typical high and low density phases separated by a simple transition. If positions and velocities are continuous variables the model shows self-organized critically driven by the slowest car.

Local alignment of two-base encoded DNA sequence

PubMed Central

Homer, Nils; Merriman, Barry; Nelson, Stanley F

2009-01-01

Background DNA sequence comparison is based on optimal local alignment of two sequences using a similarity score. However, some new DNA sequencing technologies do not directly measure the base sequence, but rather an encoded form, such as the two-base encoding considered here. In order to compare such data to a reference sequence, the data must be decoded into sequence. The decoding is deterministic, but the possibility of measurement errors requires searching among all possible error modes and resulting alignments to achieve an optimal balance of fewer errors versus greater sequence similarity. Results We present an extension of the standard dynamic programming method for local alignment, which simultaneously decodes the data and performs the alignment, maximizing a similarity score based on a weighted combination of errors and edits, and allowing an affine gap penalty. We also present simulations that demonstrate the performance characteristics of our two base encoded alignment method and contrast those with standard DNA sequence alignment under the same conditions. Conclusion The new local alignment algorithm for two-base encoded data has substantial power to properly detect and correct measurement errors while identifying underlying sequence variants, and facilitating genome re-sequencing efforts based on this form of sequence data. PMID:19508732

Variational Bayesian identification and prediction of stochastic nonlinear dynamic causal models.

PubMed

Daunizeau, J; Friston, K J; Kiebel, S J

2009-11-01

In this paper, we describe a general variational Bayesian approach for approximate inference on nonlinear stochastic dynamic models. This scheme extends established approximate inference on hidden-states to cover: (i) nonlinear evolution and observation functions, (ii) unknown parameters and (precision) hyperparameters and (iii) model comparison and prediction under uncertainty. Model identification or inversion entails the estimation of the marginal likelihood or evidence of a model. This difficult integration problem can be finessed by optimising a free-energy bound on the evidence using results from variational calculus. This yields a deterministic update scheme that optimises an approximation to the posterior density on the unknown model variables. We derive such a variational Bayesian scheme in the context of nonlinear stochastic dynamic hierarchical models, for both model identification and time-series prediction. The computational complexity of the scheme is comparable to that of an extended Kalman filter, which is critical when inverting high dimensional models or long time-series. Using Monte-Carlo simulations, we assess the estimation efficiency of this variational Bayesian approach using three stochastic variants of chaotic dynamic systems. We also demonstrate the model comparison capabilities of the method, its self-consistency and its predictive power.

[Comporison Sduty of Microstructure by Metallographicalk on the Polarized Light and Texture by XRD of CC 5083 and CC 5182 Aluminium Alloy after Cold Rolling and Recrystallization].

PubMed

Chen, Ming-biao; Li, Yong-wei; Tan, Yuan-biao; Ma, Min; Wang, Xue-min; Liu, Wen-chang

2015-03-01

At present the study of relation between microstructure, texture and performance of CC 5083 aluminium alloy after cold tolling and recrystallization processes is still finitude. So that the use of the CC 5083 aluminium alloy be influenced. Be cased into electrical furnace, hot up with unlimited speed followed the furnace hot up to different temperature and annealed 2h respectively, and be cased into salt-beth furnace, hot up quickly to different temperature and annealed 30 min respectively for CC 5083 and CC 5182 aluminum alloy after cold roling with 91.5% reduction. The microstructure be watched use metallographic microscope, the texture be inspected by XRD. The start temperature of recrystallization and grain grow up temperature within annealing in the electric furnace of CC 5083 aluminum alloy board is 343 degrees C, and the shap of grain after grow up with long strip (the innovation point ); The start temperature of recrystallization within annealling in the salt bath furnace of CC 5083 is 343 degrees C. The start temperature and end temperature of recrystallization within annealling of CC 5083 and CC 5182 aluminum alloy is 371 degrees C. The grain grow up outstanding of cold rooled CC 5152 aluminum alloy after annealed with 454 degrees C in the electric furnace and salt bath furnace. The start temperature of grain grow up of CC 5083 alluminurn alloy annealed in the electric furnace and salt bath furnace respectively is higher than the start temperature of grain grow up of CC 5182 alluminum alloy annealed in the electric furnace and salt bath furnace respectively. The strat temperature of recrystallization grain grow up is higher than which annealled with other three manner annealing process. The recrystallization temperature of CC 5182 annealed in the salt bath furnace is higher than which annealed in the electric furnace. The recrystallization temperature of the surface layer of CC 5083 and CC 5182 aluminum alloy is higher than the inner layer (the innovation point). There is a difference each other of the structure and the texture of the four manner annealing aluminum alloy (the innovation point). There is a little difference at the recrystallization processes course reflectived by the observe results of structure transform and by the examination results of texture transmission.

Influence of cyclic annealing on the hardness and structure of high-speed steels

NASA Astrophysics Data System (ADS)

Smol'nikov, E. A.; Orestova, L. M.

1982-08-01

In individual cases with the necessity of rapid annealing of high-speed steel together with stepless annealing at 885-675°C, which is done in a single salt bath, cyclic stepped annealing in two salt baths with temperatures of 850 and 700°C and holds in each of them at from 10 to 30 min may be used.

Soil pH mediates the balance between stochastic and deterministic assembly of bacteria

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

Tripathi, Binu M.; Stegen, James C.; Kim, Mincheol

Little is known about the factors affecting the relative influence of stochastic and deterministic processes that governs the assembly of microbial communities in successional soils. Here, we conducted a meta-analysis of bacterial communities using six different successional soils data sets, scattered across different regions, with different pH conditions in early and late successional soils. We found that soil pH was the best predictor of bacterial community assembly and the relative importance of stochastic and deterministic processes along successional soils. Extreme acidic or alkaline pH conditions lead to assembly of phylogenetically more clustered bacterial communities through deterministic processes, whereas pH conditionsmore » close to neutral lead to phylogenetically less clustered bacterial communities with more stochasticity. We suggest that the influence of pH, rather than successional age, is the main driving force in producing trends in phylogenetic assembly of bacteria, and that pH also influences the relative balance of stochastic and deterministic processes along successional soils. Given that pH had a much stronger association with community assembly than did successional age, we evaluated whether the inferred influence of pH was maintained when studying globally-distributed samples collected without regard for successional age. This dataset confirmed the strong influence of pH, suggesting that the influence of soil pH on community assembly processes occurs globally. Extreme pH conditions likely exert more stringent limits on survival and fitness, imposing strong selective pressures through ecological and evolutionary time. Taken together, these findings suggest that the degree to which stochastic vs. deterministic processes shape soil bacterial community assembly is a consequence of soil pH rather than successional age.« less

The meta-Gaussian Bayesian Processor of forecasts and associated preliminary experiments

NASA Astrophysics Data System (ADS)

Chen, Fajing; Jiao, Meiyan; Chen, Jing

2013-04-01

Public weather services are trending toward providing users with probabilistic weather forecasts, in place of traditional deterministic forecasts. Probabilistic forecasting techniques are continually being improved to optimize available forecasting information. The Bayesian Processor of Forecast (BPF), a new statistical method for probabilistic forecast, can transform a deterministic forecast into a probabilistic forecast according to the historical statistical relationship between observations and forecasts generated by that forecasting system. This technique accounts for the typical forecasting performance of a deterministic forecasting system in quantifying the forecast uncertainty. The meta-Gaussian likelihood model is suitable for a variety of stochastic dependence structures with monotone likelihood ratios. The meta-Gaussian BPF adopting this kind of likelihood model can therefore be applied across many fields, including meteorology and hydrology. The Bayes theorem with two continuous random variables and the normal-linear BPF are briefly introduced. The meta-Gaussian BPF for a continuous predictand using a single predictor is then presented and discussed. The performance of the meta-Gaussian BPF is tested in a preliminary experiment. Control forecasts of daily surface temperature at 0000 UTC at Changsha and Wuhan stations are used as the deterministic forecast data. These control forecasts are taken from ensemble predictions with a 96-h lead time generated by the National Meteorological Center of the China Meteorological Administration, the European Centre for Medium-Range Weather Forecasts, and the US National Centers for Environmental Prediction during January 2008. The results of the experiment show that the meta-Gaussian BPF can transform a deterministic control forecast of surface temperature from any one of the three ensemble predictions into a useful probabilistic forecast of surface temperature. These probabilistic forecasts quantify the uncertainty of the control forecast; accordingly, the performance of the probabilistic forecasts differs based on the source of the underlying deterministic control forecasts.

Deterministic Factors Overwhelm Stochastic Environmental Fluctuations as Drivers of Jellyfish Outbreaks.

PubMed

Benedetti-Cecchi, Lisandro; Canepa, Antonio; Fuentes, Veronica; Tamburello, Laura; Purcell, Jennifer E; Piraino, Stefano; Roberts, Jason; Boero, Ferdinando; Halpin, Patrick

2015-01-01

Jellyfish outbreaks are increasingly viewed as a deterministic response to escalating levels of environmental degradation and climate extremes. However, a comprehensive understanding of the influence of deterministic drivers and stochastic environmental variations favouring population renewal processes has remained elusive. This study quantifies the deterministic and stochastic components of environmental change that lead to outbreaks of the jellyfish Pelagia noctiluca in the Mediterranen Sea. Using data of jellyfish abundance collected at 241 sites along the Catalan coast from 2007 to 2010 we: (1) tested hypotheses about the influence of time-varying and spatial predictors of jellyfish outbreaks; (2) evaluated the relative importance of stochastic vs. deterministic forcing of outbreaks through the environmental bootstrap method; and (3) quantified return times of extreme events. Outbreaks were common in May and June and less likely in other summer months, which resulted in a negative relationship between outbreaks and SST. Cross- and along-shore advection by geostrophic flow were important concentrating forces of jellyfish, but most outbreaks occurred in the proximity of two canyons in the northern part of the study area. This result supported the recent hypothesis that canyons can funnel P. noctiluca blooms towards shore during upwelling. This can be a general, yet unappreciated mechanism leading to outbreaks of holoplanktonic jellyfish species. The environmental bootstrap indicated that stochastic environmental fluctuations have negligible effects on return times of outbreaks. Our analysis emphasized the importance of deterministic processes leading to jellyfish outbreaks compared to the stochastic component of environmental variation. A better understanding of how environmental drivers affect demographic and population processes in jellyfish species will increase the ability to anticipate jellyfish outbreaks in the future.

Annealing effects on the chemical deposited CdS films and the electrical properties of CdS/CdTe solar cells

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

Han, Junfeng; Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 23, 64287 Darmstadt; Liao, Cheng, E-mail: Cliao@pku.edu.cn

2011-02-15

Graphical abstract: From XPS core level spectras, compared with as-depositing CdS (sample A), the Fermi level is shifting closer to the conduction band after annealing treatment in the oxygen (sample B) while it is shifting closer to the valence band after annealing treatment in the argon-hydrogen (sample C). That might be the main reason of the different performance of the final devices. The open circuit voltage of the CdS/CdTe solar cell increases when the CBD CdS is annealed with oxygen, while the performance of the solar cell decreases when the CBD CdS is annealed with argon-hydrogen. Research highlights: {yields} Twomore » different methods (oxidation and reduction) were used to anneal CdS films for CdTe solar cells. {yields} Electrical properties were analyzed by XPS (Fermi levels of CdS films). {yields} Annealing treatment in oxidation atmosphere could shift Fermi level of CdS film to higher position and consequently improve the CdS/CdTe junction and performance of solar cells. -- Abstract: CdS layers grown by chemical bath deposition (CBD) are annealed in the oxygen and argon-hydrogen atmosphere respectively. It has been found that the open circuit voltage of the CdS/CdTe solar cell increases when the CBD CdS is annealed with oxygen before the deposition of CdTe by close spaced sublimation (CSS), while the performance of the solar cell decreases when the CBD CdS is annealed with argon-hydrogen. Electronic properties of the CdS films are investigated using X-ray photo-electron spectroscopy (XPS), which indicates that the Fermi level is shifting closer to the conduction band after annealing in the oxygen and consequently a higher open circuit voltage of the solar cell can be obtained.« less

Features of an annealing-induced thermoluminescence peak in α-Al2O3:C,Mg

NASA Astrophysics Data System (ADS)

Kalita, J. M.; Chithambo, M. L.

2017-08-01

We report the thermoluminescence glow curves of beta irradiated single crystal α-Al2O3:C,Mg after annealing at 700 and 900 °C. A glow curve measured at 1 °C/s from samples irradiated to 1 Gy following annealing at 700 and 900 °C shows a high intensity peak at 163 °C and seven secondary peaks of weaker intensity at 43, 73, 100, 195, 280, 329 and 370 °C. Comparing the position of the peaks in the annealed samples with those in an un-annealed one, it is observed that the peak at 100 °C appears only after annealing at and above 700 °C. Kinetic analysis of this annealing-induced peak was carried out using the initial rise, whole glow peak, peak shape, curve fitting and variable heating rate methods. The order of kinetics of the peak was determined as first order using various methods including the Tm-Tstop technique and the dependence of Tm on irradiation dose. The activation energy of the peak is about 1.01 eV and the frequency factor of the order of 1012 s-1. The peak was found to be affected by thermal quenching in analysis based on change of peak intensity with heating rate. The activation energy of thermal quenching was evaluated as 1.06 ± 0.08 eV. We speculate that the annealing-induced peak is due to formation of a new electron trap after destruction of the F22+(2 Mg) centre when the sample is annealed at 700 °C. The annealing-induced peak fades with storage between irradiation and measurement. It was also concluded that electrons from traps corresponding to secondary peaks get re-trapped at the main electron trap.

Development of microstructure and mechanical properties during annealing of a cold-swaged Co-Cr-Mo alloy rod.

PubMed

Mori, Manami; Sato, Nanae; Yamanaka, Kenta; Yoshida, Kazuo; Kuramoto, Koji; Chiba, Akihiko

2016-12-01

In this study, we investigated the evolution of the microstructure and mechanical properties during annealing of a cold-swaged Ni-free Co-Cr-Mo alloy for biomedical applications. A Co-28Cr-6Mo-0.14N-0.05C (mass%) alloy rod was processed by cold swaging, with a reduction in area of 27.7%, and then annealed at 1173-1423K for various periods up to 6h. The duplex microstructure of the cold-swaged rod consisted of a face-centered cubic γ-matrix and hexagonal closed-packed ε-martensite developed during cold swaging. This structure transformed nearly completely to the γ-phase after annealing and many annealing twin boundaries were observed as a result of the heat treatment. A small amount of the ε-phase was identified in specimens annealed at 1173K. Growth of the γ-grains occurred with increasing annealing time at temperatures ≥1273K. Interestingly, the grain sizes remained almost unchanged at 1173K and a very fine grain size of approximately 8μm was obtained. The precipitation that occurred during annealing was attributed to the limited grain coarsening during heat treatment. Consequently, the specimens treated at this temperature showed the highest tensile strength and lowest ductility among the specimens prepared. An elongation-to-failure value larger than 30% is sufficient for the proposed applications. The other specimens treated at higher temperatures possessed similar tensile properties and did not show any significant variations with different annealing times. Optimization of the present rod manufacturing process, including cold swaging and interval annealing heat treatment, is discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Optical and solid state characterizaion of chemically deposited CuO/PbS double layer thin film

NASA Astrophysics Data System (ADS)

Chukwuemeka, Augustine; Nnabuchi Mishark, Nnamdi

2018-02-01

Optical and solid state characteristics of novel CuO/PbS double layer thin films were studied. Rutherford backscattering (RBS) technique deciphered the thicknesses of the films as 650 nm, 471 nm and 482 nm for as-deposited, annealed at 473 K and 673 K respectively. The XRD analysis depicts increase in grain size and peak intensity as temperature increases. The results of optical characterization show that thermal annealing has profound effects on all the optical and solid state parameters investigated. The absorbance increased with increase in temperature exhibiting maximum for the film annealed at 673 K. The transmittance of the film samples showed a decreasing trend with increase in temperature exhibiting minimum for the film annealed at 673 K. The absorption coefficient increases from 0.001 × 106 m-1 to 0.006 × 106 m-1 for as-deposited, 0.0025 × 106 m-1 to 0.0175 × 106 m-1 for the annealed at 473 K and 0.003 × 106 m-1 to 0.020 × 106 m-1 for the annealed at 673 K. The extinction coefficient increased with increased in temperature exhibiting a maximum for the film annealed at 673 K. The refractive index, real and imaginary dielectric constant do not have a trend with increase in annealing temperature. Increase in annealing temperature lowers the band gap from 4.13 eV for the as-deposited to 4.05 eV and 3.90 eV for the annealed at 473 K and 673 K respectively. The wide- bandgap materials permits devices to operate at much higher voltages, frequencies and temperatures than convection semiconductor materials. Thus, this film could be used for high power applications, light-emitting diodes, transducers and window layers for solar cell fabrication.

Excitation intensity dependent photoluminescence of annealed two-dimensional MoS{sub 2} grown by chemical vapor deposition

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

Kaplan, D.; Swaminathan, V.; Mills, K.

2016-06-07

Here, we present detailed results of Raman and photoluminescence (PL) characterization of monolayers of MoS{sub 2} grown by chemical vapor deposition (CVD) on SiO{sub 2}/Si substrates after thermal annealing at 150 °C, 200 °C, and 250 °C in an argon atmosphere. In comparison to the as-grown monolayers, annealing in the temperature range of 150–250 °C brings about significant changes in the band edge luminescence. It is observed that annealing at 150 °C gives rise to a 100-fold increase in the PL intensity and produces a strong band at 1.852 eV attributed to a free-to-bound transition that dominates over the band edge excitonic luminescence. This band disappearsmore » for the higher annealing temperatures. The improvement in PL after the 200 °C anneal is reduced in comparison to that obtained after the 150 °C anneal; this is suggested to arise from a decrease in the non-radiative lifetime caused by the creation of sulfur di-vacancies. Annealing at 250 °C degrades the PL in comparison to the as-grown sample because of the onset of disorder/decomposition of the sample. It is clear that the PL features of the CVD-grown MoS{sub 2} monolayer are profoundly affected by thermal annealing in Ar atmosphere. However, further detailed studies are needed to identify, unambiguously, the role of native defects and/or adsorbed species in defining the radiative channels in annealed samples so that the beneficial effect of improvement in the optical efficiency of the MoS{sub 2} monolayers can be leveraged for various device applications.« less

Linear response theory for annealing of radiation damage in semiconductor devices

NASA Technical Reports Server (NTRS)

Litovchenko, Vitaly

1988-01-01

A theoretical study of the radiation/annealing response of MOS ICs is described. Although many experiments have been performed in this field, no comprehensive theory dealing with radiation/annealing response has been proposed. Many attempts have been made to apply linear response theory, but no theoretical foundation has been presented. The linear response theory outlined here is capable of describing a broad area of radiation/annealing response phenomena in MOS ICs, in particular, both simultaneous irradiation and annealing, as well as short- and long-term annealing, including the case when annealing is nearing completion. For the first time, a simple procedure is devised to determine the response function from experimental radiation/annealing data. In addition, this procedure enables us to study the effect of variable temperature and dose rate, effects which are of interest in spaceflight. In the past, the shift in threshold potential due to radiation/annealing has usually been assumed to depend on one variable: the time lapse between an impulse dose and the time of observation. While such a suggestion of uniformity in time is certainly true for a broad range of radiation annealing phenomena, it may not hold for some ranges of the variables of interest (temperature, dose rate, etc.). A response function is projected which is dependent on two variables: the time of observation and the time of the impulse dose. This dependence on two variables allows us to extend the theory to the treatment of a variable dose rate. Finally, the linear theory is generalized to the case in which the response is nonlinear with impulse dose, but is proportional to some impulse function of dose. A method to determine both the impulse and response functions is presented.

Magnetic studies of CuFe{sub 2}O{sub 4} nanoparticles prepared by co-precipitation method

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

Subha, A.; Shalini, M. Govindaraj; Sahoo, Subasa C., E-mail: subasa@cukerala.ac.in

2016-05-06

Cu-ferrite nanoparticles were synthesized by co-precipitation method and were annealed at different temperatures ranging from 400 to l000°C in air for 4 hours. The as-prepared sample and the sample annealed at 400°C showed small peaks of cubic Cu-ferrite in X-ray diffraction studies. For the intermediate temperature 600°C, some additional peaks of α-Fe{sub 2}O{sub 3} were observed. As the annealing temperature increased further only tetragonal Cu-ferrite peaks were observed. In all the samples some traces of CuO was noted. Grain size was increased from 2lnm for the as prepared sample to 42nm for the sample annealed at l000°C. Spontaneous magnetization valuemore » was found to be very small for the as prepared sample and it was increased monotonically with the increase in annealing temperature. Maximum magnetization of 29.7emu/g was observed at 300K for the sample annealed at l000°C. The remanent magnetization was increased with the increase in annealing temperature up to 900°C and then decreased whereas for the coercivity a peak was observed for the sample annealed at 800°C. The highest coercivity of l402 Oe was observed at 300K for the sample annealed at 800°C. As the measurement temperature decreased from 300K to 60K, magnetization and coercivity values were increased. The observed magnetic behaviour may be understood on the basis of phase transformation, grain growth with the increase in annealing temperature and reduced thermal energy at low measurement temperature.« less

Evolution of mechanical properties of ultrafine grained 1050 alloy annealing with electric current

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

Cao, Yiheng; He, Lizi, E-mail: helizi@epm.neu.edu.cn; Zhang, Lin

2016-03-15

The tensile properties and microstructures of 1050 aluminum alloy prepared by equal channel angular pressing at cryogenic temperature (cryoECAP) after electric current annealing at 90–210 °C for 3 h were investigated by tensile test, electron back scattering diffraction (EBSD) and transmission electron microscopy (TEM). An unexpected annealing-induced strengthening phenomenon occurs at 90–210 °C, due to a significant decrease in the density of mobile dislocations after annealing, and thus a higher yield stress is required to nucleate alternative dislocation sources during tensile test. The electric current can enhance the motion of dislocations, lead to a lower dislocation density at 90–150 °C,more » and thus shift the peak annealing temperature from 150 °C to 120 °C. Moreover, the electric current can promote the migration of grain boundaries at 150–210 °C, result in a larger grain size at 150 °C and 210 °C, and thus causes a lower yield stress. The sample annealed with electric current has a lower uniform elongation at 90–120 °C, and the deviation in the uniform elongation between samples annealed without and with electric current becomes smaller at 150–210 °C. - Highlights: • An unexpected annealing-induced strengthening phenomenon occurs at 90–210 °C. • The d. c. current can enhance the motion of dislocations at 90–150 °C, and thus shift the peak annealing temperature from 150 °C to 120 °C. • The d. c. current can promote the grain growth at 150–210 °C, and thus cause a lower yield stress. • The DC annealed sample has a lower uniform elongation at 90–120 °C.« less

Excitation intensity dependent photoluminescence of annealed two-dimensional MoS2 grown by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Kaplan, D.; Mills, K.; Lee, J.; Torrel, S.; Swaminathan, V.

2016-06-01

Here, we present detailed results of Raman and photoluminescence (PL) characterization of monolayers of MoS2 grown by chemical vapor deposition (CVD) on SiO2/Si substrates after thermal annealing at 150 °C, 200 °C, and 250 °C in an argon atmosphere. In comparison to the as-grown monolayers, annealing in the temperature range of 150-250 °C brings about significant changes in the band edge luminescence. It is observed that annealing at 150 °C gives rise to a 100-fold increase in the PL intensity and produces a strong band at 1.852 eV attributed to a free-to-bound transition that dominates over the band edge excitonic luminescence. This band disappears for the higher annealing temperatures. The improvement in PL after the 200 °C anneal is reduced in comparison to that obtained after the 150 °C anneal; this is suggested to arise from a decrease in the non-radiative lifetime caused by the creation of sulfur di-vacancies. Annealing at 250 °C degrades the PL in comparison to the as-grown sample because of the onset of disorder/decomposition of the sample. It is clear that the PL features of the CVD-grown MoS2 monolayer are profoundly affected by thermal annealing in Ar atmosphere. However, further detailed studies are needed to identify, unambiguously, the role of native defects and/or adsorbed species in defining the radiative channels in annealed samples so that the beneficial effect of improvement in the optical efficiency of the MoS2 monolayers can be leveraged for various device applications.

The re-incarnation, re-interpretation and re-demise of the transition probability model.

PubMed

Koch, A L

1999-05-28

There are two classes of models for the cell cycle that have both a deterministic and a stochastic part; they are the transition probability (TP) models and sloppy size control (SSC) models. The hallmark of the basic TP model are two graphs: the alpha and beta plots. The former is the semi-logarithmic plot of the percentage of cell divisions yet to occur, this results in a horizontal line segment at 100% corresponding to the deterministic phase and a straight line sloping tail corresponding to the stochastic part. The beta plot concerns the differences of the age-at-division of sisters (the beta curve) and gives a straight line parallel to the tail of the alpha curve. For the SC models the deterministic part is the time needed for the cell to accumulate a critical amount of some substance(s). The variable part differs in the various variants of the general model, but they do not give alpha and beta curves with linear tails as postulated by the TP model. This paper argues against TP and for an elaboration of SSC type of model. The main argument against TP is that it assumes that the probability of the transition from the stochastic phase is time invariant even though it is certain that the cells are growing and metabolizing throughout the cell cycle; a fact that should make the transition probability be variable. The SSC models presume that cell division is triggered by the cell's success in growing and not simply the result of elapsed time. The extended model proposed here to accommodate the predictions of the SSC to the straight tailed parts of the alpha and beta plots depends on the existence of a few percent of the cell in a growing culture that are not growing normally, these are growing much slower or are temporarily quiescent. The bulk of the cells, however, grow nearly exponentially. Evidence for a slow growing component comes from experimental analyses of population size distributions for a variety of cell types by the Collins-Richmond technique. These subpopulations existence is consistent with the new concept that there are a large class of rapidly reversible mutations occurring in many organisms and at many loci serving a large range of purposes to enable the cell to survive environmental challenges. These mutations yield special subpopulations of cells within a population. The reversible mutational changes, relevant to the elaboration of SSC models, produce slow-growing cells that are either very large or very small in size; these later revert to normal growth and division. The subpopulations, however, distort the population distribution in such a way as to fit better the exponential tails of the alpha and beta curves of the TP model.

Cognitive Diagnostic Analysis Using Hierarchically Structured Skills

ERIC Educational Resources Information Center

Su, Yu-Lan

2013-01-01

This dissertation proposes two modified cognitive diagnostic models (CDMs), the deterministic, inputs, noisy, "and" gate with hierarchy (DINA-H) model and the deterministic, inputs, noisy, "or" gate with hierarchy (DINO-H) model. Both models incorporate the hierarchical structures of the cognitive skills in the model estimation…

Deterministic Mean-Field Ensemble Kalman Filtering

DOE PAGES

Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

2016-05-03

The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d

Active temporal multiplexing of indistinguishable heralded single photons

PubMed Central

Xiong, C.; Zhang, X.; Liu, Z.; Collins, M. J.; Mahendra, A.; Helt, L. G.; Steel, M. J.; Choi, D. -Y.; Chae, C. J.; Leong, P. H. W.; Eggleton, B. J.

2016-01-01

It is a fundamental challenge in quantum optics to deterministically generate indistinguishable single photons through non-deterministic nonlinear optical processes, due to the intrinsic coupling of single- and multi-photon-generation probabilities in these processes. Actively multiplexing photons generated in many temporal modes can decouple these probabilities, but key issues are to minimize resource requirements to allow scalability, and to ensure indistinguishability of the generated photons. Here we demonstrate the multiplexing of photons from four temporal modes solely using fibre-integrated optics and off-the-shelf electronic components. We show a 100% enhancement to the single-photon output probability without introducing additional multi-photon noise. Photon indistinguishability is confirmed by a fourfold Hong–Ou–Mandel quantum interference with a 91±16% visibility after subtracting multi-photon noise due to high pump power. Our demonstration paves the way for scalable multiplexing of many non-deterministic photon sources to a single near-deterministic source, which will be of benefit to future quantum photonic technologies. PMID:26996317

Recent progress in the assembly of nanodevices and van der Waals heterostructures by deterministic placement of 2D materials.

PubMed

Frisenda, Riccardo; Navarro-Moratalla, Efrén; Gant, Patricia; Pérez De Lara, David; Jarillo-Herrero, Pablo; Gorbachev, Roman V; Castellanos-Gomez, Andres

2018-01-02

Designer heterostructures can now be assembled layer-by-layer with unmatched precision thanks to the recently developed deterministic placement methods to transfer two-dimensional (2D) materials. This possibility constitutes the birth of a very active research field on the so-called van der Waals heterostructures. Moreover, these deterministic placement methods also open the door to fabricate complex devices, which would be otherwise very difficult to achieve by conventional bottom-up nanofabrication approaches, and to fabricate fully-encapsulated devices with exquisite electronic properties. The integration of 2D materials with existing technologies such as photonic and superconducting waveguides and fiber optics is another exciting possibility. Here, we review the state-of-the-art of the deterministic placement methods, describing and comparing the different alternative methods available in the literature, and we illustrate their potential to fabricate van der Waals heterostructures, to integrate 2D materials into complex devices and to fabricate artificial bilayer structures where the layers present a user-defined rotational twisting angle.

First-order reliability application and verification methods for semistatic structures

NASA Astrophysics Data System (ADS)

Verderaime, V.

1994-11-01

Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored in conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments; stress audits are shown to be arbitrary and incomplete, and the concept compromises the performance of high-strength materials. A reliability method is proposed that combines first-order reliability principles with deterministic design variables and conventional test techniques to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety-index expression. The application is reduced to solving for a design factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this design factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and the development of semistatic structural designs.

Fault Detection for Nonlinear Process With Deterministic Disturbances: A Just-In-Time Learning Based Data Driven Method.

PubMed

Yin, Shen; Gao, Huijun; Qiu, Jianbin; Kaynak, Okyay

2017-11-01

Data-driven fault detection plays an important role in industrial systems due to its applicability in case of unknown physical models. In fault detection, disturbances must be taken into account as an inherent characteristic of processes. Nevertheless, fault detection for nonlinear processes with deterministic disturbances still receive little attention, especially in data-driven field. To solve this problem, a just-in-time learning-based data-driven (JITL-DD) fault detection method for nonlinear processes with deterministic disturbances is proposed in this paper. JITL-DD employs JITL scheme for process description with local model structures to cope with processes dynamics and nonlinearity. The proposed method provides a data-driven fault detection solution for nonlinear processes with deterministic disturbances, and owns inherent online adaptation and high accuracy of fault detection. Two nonlinear systems, i.e., a numerical example and a sewage treatment process benchmark, are employed to show the effectiveness of the proposed method.

Deterministic Mean-Field Ensemble Kalman Filtering

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

Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d

Effect of annealing and In content on the properties of electron beam evaporated ZnO films

NASA Astrophysics Data System (ADS)

Mohamed, S. H.; Ali, H. M.; Mohamed, H. A.; Salem, A. M.

2005-08-01

The effect of both annealing and In content on the properties of ZnO films prepared by electron beam evaporation were investigated. The evaporation was carried out at room temperature from bulk samples prepared by sintering technique. X-ray diffraction showed that the structure of ZnO-In{2}O{3} films depends on both the In content and annealing temperature. Amorphous, highly transparent and relatively low resistive films which can be suitable for the usage as transparent electrode of organic light-emitting diode were obtained upon annealing at 300 circC. Partially crystalline, highly transparent and highly resistive films which can be used in piezoelectric applications were obtained upon annealing at 500 circC. For each composition the refractive index has no monotonic variation upon increasing annealing temperature.

Formation of a Polycrystalline Silicon Thin Film by Using Blue Laser Diode Annealing

NASA Astrophysics Data System (ADS)

Choi, Young-Hwan; Ryu, Han-Youl

2018-04-01

We report the crystallization of an amorphous silicon thin film deposited on a SiO2/Si wafer using an annealing process with a high-power blue laser diode (LD). The laser annealing process was performed using a continuous-wave blue LD of 450 nm in wavelength with varying laser output power in a nitrogen atmosphere. The crystallinity of the annealed poly-silicon films was investigated using ellipsometry, electron microscope observation, X-ray diffraction, and Raman spectroscopy. Polysilicon grains with > 100-nm diameter were observed to be formed after the blue LD annealing. The crystal quality was found to be improved as the laser power was increased up to 4 W. The demonstrated blue LD annealing is expected to provide a low-cost and versatile solution for lowtemperature poly-silicon processes.

Effects of annealing on performances of 1.3-μm InAs-InGaAs-GaAs quantum dot electroabsorption modulators

PubMed Central

2013-01-01

In this work, we investigated the effects of quantum dot (QD) annealing (as-grown, 600°C-annealed, and 750°C-annealed) on the preliminary performances of 1.3-μm InAs-InGaAs-GaAs quantum dot electroabsorption modulators (QD-EAMs). Both extinction ratio and insertion loss were found to vary inversely with the annealing temperature. Most importantly, the 3-dB response of the 750°C-annealed lumped-element QD-EAM was found to be 1.6 GHz at zero reverse bias voltage - the lowest reverse bias voltage reported. We believe that this work will be beneficial to researchers working on on-chip integration of QD-EAMs with other devices since energy consumption will be an important consideration. PMID:23388169

Rapid curing of solution-processed zinc oxide films by pulse-light annealing for thin-film transistor applications

NASA Astrophysics Data System (ADS)

Kim, Dong Wook; Park, Jaehoon; Hwang, Jaeeun; Kim, Hong Doo; Ryu, Jin Hwa; Lee, Kang Bok; Baek, Kyu Ha; Do, Lee-Mi; Choi, Jong Sun

2015-01-01

In this study, a pulse-light annealing method is proposed for the rapid fabrication of solution-processed zinc oxide (ZnO) thinfilm transistors (TFTs). Transistors that were fabricated by the pulse-light annealing method, with the annealing being carried out at 90℃ for 15 s, exhibited a mobility of 0.05 cm2/Vs and an on/off current ratio of 106. Such electrical properties are quite close to those of devices that are thermally annealed at 165℃ for 40 min. X-ray photoelectron spectroscopy analysis of ZnO films showed that the activation energy required to form a Zn-O bond is entirely supplied within 15 s of pulse-light exposure. We conclude that the pulse-light annealing method is viable for rapidly curing solution-processable oxide semiconductors for TFT applications.

Annealed importance sampling with constant cooling rate

NASA Astrophysics Data System (ADS)

Giovannelli, Edoardo; Cardini, Gianni; Gellini, Cristina; Pietraperzia, Giangaetano; Chelli, Riccardo

2015-02-01

Annealed importance sampling is a simulation method devised by Neal [Stat. Comput. 11, 125 (2001)] to assign weights to configurations generated by simulated annealing trajectories. In particular, the equilibrium average of a generic physical quantity can be computed by a weighted average exploiting weights and estimates of this quantity associated to the final configurations of the annealed trajectories. Here, we review annealed importance sampling from the perspective of nonequilibrium path-ensemble averages [G. E. Crooks, Phys. Rev. E 61, 2361 (2000)]. The equivalence of Neal's and Crooks' treatments highlights the generality of the method, which goes beyond the mere thermal-based protocols. Furthermore, we show that a temperature schedule based on a constant cooling rate outperforms stepwise cooling schedules and that, for a given elapsed computer time, performances of annealed importance sampling are, in general, improved by increasing the number of intermediate temperatures.

Improved Hot Carrier Reliability Characteristics of Metal Oxide Semiconductor Field Effect Transistors with High-k Gate Dielectric by Using High Pressure Deuterium Post Metallization Annealing

NASA Astrophysics Data System (ADS)

Park, Hokyung; Choi, Rino; Lee, Byoung Hun; Hwang, Hyunsang

2007-09-01

High pressure deuterium annealing on the hot carrier reliability characteristics of HfSiO metal oxide semiconductor field effect transistor (MOSFET) was investigated. Comparing with the conventional forming gas (H2/Ar=10%/96%, 480 °C, 30 min) annealed sample, MOSFET annealed in 5 atm pure deuterium ambient at 400 °C showed the improvement of linear drain current, reduction of interface trap density, and improvement of the hot carrier reliability characteristics. These improvements can be attributed to the effective passivation of the interface trap site after high pressure annealing and heavy mass effect of deuterium. These results indicate that high pressure pure deuterium annealing can be a promising process for improving device performance as well as hot carrier reliability, together.

[The application of non-annealing thermoluminescent dosimetry (TLD)].

PubMed

Wu, J M; Chen, C S; Lan, R H

1993-06-01

Conventional use of Thermoluminescence (TL) in radiation dosimetry is very time-consuming. It requires repeating the procedures of preheating and annealing. In an attempt to simplify these procedures, we conducted an experiment of non-annealing TL dosimetry. This article reports the experiment's results. We adopted Lithium Fluoride (LiF) chip (TLD-100) in polystyrene under the exposure of Co-60, and the result was taken by HAR-SHAW-4000 TL reading system. The TL response was analyzed, including linearity, reproducibility and fading test. Because non-annealing TL response was greatly influenced by residual electron, TLD calibration curves were separated into two parts: (1) high dose region (HDR, 50-1500 cGy); (2) low dose region (LDR, 0-50 cGy). When TL dosimeters were exposed to a single high does (about 500 cGy), the HDR could be reproduced within 3% and fit a good linearity. For LDR, we had to give up the tail of glow curve in the high temperature region. We could then get good linearity and reproducibility. Furthermore, fading of non-annealing was apparently larger than annealing. We could control the fading of non-annealing was apparently larger than annealing. We could control the fading influence within 1% by taking the TL reading one hour after exposure. On the other hand, a combination of photon and electron exposure was also performed by non-annealing TL dosimetry. The results were compatible with Co-60 exposure in the same system.

The double-edged effects of annealing MgO underlayers on the efficient synthesis of single-wall carbon nanotube forests.

PubMed

Tsuji, Takashi; Hata, Kenji; Futaba, Don N; Sakurai, Shunsuke

2017-11-16

Recently, the millimetre-scale, highly efficient synthesis of single-wall carbon nanotube (SWCNT) forests from Fe catalysts has been reported through the annealing of the magnesia (MgO) underlayer. Here, we report the double-edged effects of underlayer annealing on the efficiency and structure of the SWCNT forest synthesis through a temperature-dependent examination. Our results showed that the efficiency of the SWCNT forests sharply increased with increased underlayer annealing temperatures from 600 °C up to 900 °C due to a temperature-dependent structural modification, characterized by increased grain size and reduced defects, of the MgO underlayer. Beyond this temperature, the SWCNT fraction also decreased as a result of further structural modification of the MgO underlayer. This exemplifies the double-edged effects of annealing. Specifically, for underlayer annealing below 600 °C, the catalyst subsurface diffusion was found to limit the growth efficiency, and for excessively high underlayer annealing temperatures (>900 °C), catalyst coalescence/ripening led to the formation of double-wall carbon nanotubes. As a result, three distinct regions of synthesis were observed: (i) a "low yield" region below a threshold temperature (∼600 °C); (ii) an "increased yield" region from 600 to 900 °C, and (iii) a "saturation" region above 900 °C. The efficient SWCNT forest synthesis could only occur within a specific annealing temperature window as a result of this double-edged effects of underlayer annealing.

Improvement of the Mechanical Properties of 1022 Carbon Steel Coil by Using the Taguchi Method to Optimize Spheroidized Annealing Conditions.

PubMed

Yang, Chih-Cheng; Liu, Chang-Lun

2016-08-12

Cold forging is often applied in the fastener industry. Wires in coil form are used as semi-finished products for the production of billets. This process usually requires preliminarily drawing wire coil in order to reduce the diameter of products. The wire usually has to be annealed to improve its cold formability. The quality of spheroidizing annealed wire affects the forming quality of screws. In the fastener industry, most companies use a subcritical process for spheroidized annealing. Various parameters affect the spheroidized annealing quality of steel wire, such as the spheroidized annealing temperature, prolonged heating time, furnace cooling time and flow rate of nitrogen (protective atmosphere). The effects of the spheroidized annealing parameters affect the quality characteristics of steel wire, such as the tensile strength and hardness. A series of experimental tests on AISI 1022 low carbon steel wire are carried out and the Taguchi method is used to obtain optimum spheroidized annealing conditions to improve the mechanical properties of steel wires for cold forming. The results show that the spheroidized annealing temperature and prolonged heating time have the greatest effect on the mechanical properties of steel wires. A comparison between the results obtained using the optimum spheroidizing conditions and the measures using the original settings shows the new spheroidizing parameter settings effectively improve the performance measures over their value at the original settings. The results presented in this paper could be used as a reference for wire manufacturers.

Electron backscatter and X-ray diffraction studies on the deformation and annealing textures of austenitic stainless steel 310S

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

Nezakat, Majid, E-mail: majid.nezakat@usask.ca

We studied the texture evolution of thermo-mechanically processed austenitic stainless steel 310S. This alloy was cold rolled up to 90% reduction in thickness and subsequently annealed at 1050 °C. At the early stages of deformation, strain-induced martensite was formed from deformed austenite. By increasing the deformation level, slip mechanism was found to be insufficient to accommodate higher deformation strains. Our results demonstrated that twinning is the dominant deformation mechanism at higher deformation levels. Results also showed that cold rolling in unidirectional and cross rolling modes results in Goss/Brass and Brass dominant textures in deformed samples, respectively. Similar texture components aremore » observed after annealing. Thus, the annealing texture was greatly affected by texture of the deformed parent phase and martensite did not contribute as it showed an athermal reversion during annealing. Results also showed that when the fraction of martensite exceeds a critical point, its grain boundaries impeded the movement of austenite grain boundaries during annealing. As a result, recrystallization incubation time would increase. This caused an incomplete recrystallization of highly deformed samples, which led to a rational drop in the intensity of the texture components. - Highlights: •Thermo-mechanical processing through different cold rolling modes can induce different textures. •Martensite reversion is athermal during annealing. •Higher fraction of deformation-induced martensite can increase the annealing time required for complete recrystallization. •Annealing texture is mainly influenced by the deformation texture of austenite.« less

Evidence of room temperature ferromagnetism in argon/oxygen annealed TiO2 thin films deposited by electron beam evaporation technique

NASA Astrophysics Data System (ADS)

Mohanty, P.; Kabiraj, D.; Mandal, R. K.; Kulriya, P. K.; Sinha, A. S. K.; Rath, Chandana

2014-04-01

TiO2 thin films deposited by electron beam evaporation technique annealed in either O2 or Ar atmosphere showed ferromagnetism at room temperature. The pristine amorphous film demonstrates anatase phase after annealing under Ar/O2 atmosphere. While the pristine film shows a super-paramagnetic behavior, both O2 and Ar annealed films display hysteresis at 300 K. X-ray photo emission spectroscopy (XPS), Raman spectroscopy, Rutherford's backscattering spectroscopy (RBS), cross-sectional transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDS) were used to refute the possible role of impurities/contaminants in magnetic properties of the films. The saturation magnetization of the O2 annealed film is found to be higher than the Ar annealed one. It is revealed from shifting of O 1s and Ti 2p core level spectra as well as from the enhancement of high binding energy component of O 1s spectra that the higher magnetic moment is associated with higher oxygen vacancies. In addition, O2 annealed film demonstrates better crystallinity, uniform deposition and smoother surface than that of the Ar annealed one from glancing angle X-ray diffraction (GAXRD) and atomic force microscopy (AFM). We conclude that although ferromagnetism is due to oxygen vacancies, the higher magnetization in O2 annealed film could be due to crystallinity, which has been observed earlier in Co doped TiO2 film deposited by pulsed laser deposition (Mohanty et al., 2012 [10]).

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.

Microwave annealing of Mg-implanted and in situ Be-doped GaN

NASA Astrophysics Data System (ADS)

Aluri, Geetha S.; Gowda, Madhu; Mahadik, Nadeemullah A.; Sundaresan, Siddarth G.; Rao, Mulpuri V.; Schreifels, John A.; Freitas, J. A.; Qadri, S. B.; Tian, Y.-L.

2010-10-01

An ultrafast microwave annealing method, different from conventional thermal annealing, is used to activate Mg-implants in GaN layer. The x-ray diffraction measurements indicated complete disappearance of the defect sublattice peak, introduced by the implantation process for single-energy Mg-implantation, when the annealing was performed at ≥1400 °C for 15 s. An increase in the intensity of Mg-acceptor related luminescence peak (at 3.26 eV) in the photoluminescence spectra confirms the Mg-acceptor activation in single-energy Mg-implanted GaN. In case of multiple-energy implantation, the implant generated defects persisted even after 1500 °C/15 s annealing, resulting in no net Mg-acceptor activation of the Mg-implant. The Mg-implant is relatively thermally stable and the sample surface roughness is 6 nm after 1500 °C/15 s annealing, using a 600 nm thick AlN cap. In situ Be-doped GaN films, after 1300 °C/5 s annealing have shown Be out-diffusion into the AlN layer and also in-diffusion toward the GaN/SiC interface. The in-diffusion and out-diffusion of the Be increased with increasing annealing temperature. In fact, after 1500 °C/5 s annealing, only a small fraction of in situ doped Be remained in the GaN layer, revealing the inadequateness of using Be-implantation for forming p-type doped layers in the GaN.

The influence of thermal annealing on the characteristics of Au/Ni Schottky contacts on n-type 4 H-SiC

NASA Astrophysics Data System (ADS)

Omotoso, E.; Auret, F. D.; Igumbor, E.; Tunhuma, S. M.; Danga, H. T.; Ngoepe, P. N. M.; Taleatu, B. A.; Meyer, W. E.

2018-05-01

The effects of isochronal annealing on the electrical, morphological and structural characteristics of Au/Ni/4 H-SiC Schottky barrier diodes (SBDs) have been studied. Current-voltage ( I- V), capacitance-voltage ( C- V), deep-level transient spectroscopy, scanning electron microscope (SEM) and X-ray diffraction measurements were employed to study the thermal effect on the characteristics of the SBDs. Prior to thermal annealing of Schottky contacts, the I- V measurements results confirmed the good rectification behaviour with ideality factor of 1.06, Schottky barrier height of 1.20 eV and series resistance of 7 Ω. The rectification properties after annealing was maintained up to an annealing temperature of 500 °C, but deviated slightly above 500 °C. The uncompensated ionized donor concentration decreased with annealing temperature, which could be attributed to out-diffusion of the 4 H-SiC into the Au/Ni contacts and decrease in bonding due to formation of nickel silicides. We observed the presence of four deep-level defects with energies 0.09, 0.11, 0.16 and 0.65 eV below the conduction band before and after the isochronal annealing up to 600 °C. The conclusion drawn was that annealing did not affect the number of deep-level defects present in Au/Ni/4 H-SiC contacts. The variations in electrical properties of the devices were attributed to the phase transformations and interfacial reactions that occurred after isochronal annealing.

Improving Deterministic Reserve Requirements for Security Constrained Unit Commitment and Scheduling Problems in Power Systems

NASA Astrophysics Data System (ADS)

Wang, Fengyu

Traditional deterministic reserve requirements rely on ad-hoc, rule of thumb methods to determine adequate reserve in order to ensure a reliable unit commitment. Since congestion and uncertainties exist in the system, both the quantity and the location of reserves are essential to ensure system reliability and market efficiency. The modeling of operating reserves in the existing deterministic reserve requirements acquire the operating reserves on a zonal basis and do not fully capture the impact of congestion. The purpose of a reserve zone is to ensure that operating reserves are spread across the network. Operating reserves are shared inside each reserve zone, but intra-zonal congestion may block the deliverability of operating reserves within a zone. Thus, improving reserve policies such as reserve zones may improve the location and deliverability of reserve. As more non-dispatchable renewable resources are integrated into the grid, it will become increasingly difficult to predict the transfer capabilities and the network congestion. At the same time, renewable resources require operators to acquire more operating reserves. With existing deterministic reserve requirements unable to ensure optimal reserve locations, the importance of reserve location and reserve deliverability will increase. While stochastic programming can be used to determine reserve by explicitly modelling uncertainties, there are still scalability as well as pricing issues. Therefore, new methods to improve existing deterministic reserve requirements are desired. One key barrier of improving existing deterministic reserve requirements is its potential market impacts. A metric, quality of service, is proposed in this thesis to evaluate the price signal and market impacts of proposed hourly reserve zones. Three main goals of this thesis are: 1) to develop a theoretical and mathematical model to better locate reserve while maintaining the deterministic unit commitment and economic dispatch structure, especially with the consideration of renewables, 2) to develop a market settlement scheme of proposed dynamic reserve policies such that the market efficiency is improved, 3) to evaluate the market impacts and price signal of the proposed dynamic reserve policies.

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

The effect of vacuum annealing on corrosion resistance of titanium

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

Chikanov, V.N.; Peshkov, V.V.; Kireev, L.S.

1994-09-01

The effect of annealing on the corrosion resistance of OT4-1 sheet titanium in 25% HCl under various air pressures and self-evacuating conditions has been investigated. From the kinetic corrosion curves it follows that the least corrosion resistance of titanium is observed after vacuum annealing. Even low residual air pressure in a chamber improves corrosion resistance. The corrosion resistance of titanium decreases with vacuum-annealing time.

Secondary ion mass spectrometry study of ex situ annealing of epitaxial GaAs grown on Si substrates

NASA Technical Reports Server (NTRS)

Radhakrishnan, G.; Mccullough, O.; Cser, J.; Katz, J.

1988-01-01

Samples of epitaxial GaAs grown on (100) Si substrates using molecular beam epitaxy were annealed at four different temperatures, from 800 to 950 C. Following annealing, the samples were analyzed using secondary ion mass spectrometry. Depth profiles of Ga, As, and Si reveal optimum conditions for annealing, and place a lower limit on a damage threshold for GaAs/Si substrates.

Effect of continuous annealing temperature on microstructure and properties of ferritic rolled interstitial-free steel

NASA Astrophysics Data System (ADS)

Qiu, Chen-yang; Li, Lang; Hao, Lei-lei; Wang, Jian-gong; Zhou, Xun; Kang, Yong-lin

2018-05-01

In this report, the microstructure, mechanical properties, and textures of warm rolled interstitial-free steel annealed at four different temperatures (730, 760, 790, and 820°C) were studied. The overall structural features of specimens were investigated by optical microscopy, and the textures were measured by X-ray diffraction (XRD). Nano-sized precipitates were then observed by a transmission electron microscope (TEM) on carbon extraction replicas. According to the results, with increased annealing temperatures, the ferrite grains grew; in addition, the sizes of Ti4C2S2 and TiC precipitates also increased. Additionally, the sizes of TiN and TiS precipitates slightly changed. When the annealing temperature increased from 730 to 820°C, the yield strength (YS) and the ultimate tensile strength (UTS) showed a decreasing trend. Meanwhile, elongation and the strain harden exponent (n value) increased to 49.6% and 0.34, respectively. By comparing textures annealed at different temperatures, the intensity of {111} texture annealed at 820°C was the largest, while the difference between the intensity of {111}<110> and {111}<112> was the smallest when the annealing temperature was 820°C. Therefore, the plastic strain ratio (r value) annealed at 820°C was the highest.

Effects of annealing on microstructure, composition and magnetic properties of rolled Fe/Ga-Al composite strip

NASA Astrophysics Data System (ADS)

Zheng, Yanwen; Zhang, Zhihao; Jiang, Yanbin

2018-04-01

The Ga liquid and Al powder were mechanically mixed and poured into a hollow iron plate, after alloying, the composite plate was rolled at room temperature for preparing an Fe/Ga-Al composite strip. The effect of annealing conditions on the diffusion, microstructures and magnetostrictive properties of the strip were studied. The composite plate had good cold rolling formability. After annealing at 750-850 °C for 5 h of the cold-rolled sample with a reduction of 97%, the diffusion distance of Ga and Al in the Fe matrix increased with an increase of the annealing temperature. However, some holes appeared in the center of the sample annealed at a temperature of more than 830 °C, which was detrimental to the subsequent rolling. The combination of the secondary cold rolling and annealing was beneficial to improve the composition homogeneity and magnetic properties of the sample. The magnetostriction coefficient (λ//) of the primary rolled sample was low, ∼4 × 10-6. After annealing and secondary cold rolling, the λ// of the sample increased to 9 × 10-6 and the λ// of the sample conducted by further annealing at 820 °C for 20 h reached 27.5 × 10-6.

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.

Accessing Forbidden Glass Regimes through High-Pressure Sub-Tg Annealing

PubMed Central

Svenson, Mouritz N.; Mauro, John C.; Rzoska, Sylwester J.; Bockowski, Michal; Smedskjaer, Morten M.

2017-01-01

Density and hardness of glasses are known to increase upon both compression at the glass transition temperature (Tg) and ambient pressure sub-Tg annealing. However, a serial combination of the two methods does not result in higher density and hardness, since the effect of compression is countered by subsequent annealing and vice versa. In this study, we circumvent this by introducing a novel treatment protocol that enables the preparation of high-density, high-hardness bulk aluminosilicate glasses. This is done by first compressing a sodium-magnesium aluminosilicate glass at 1 GPa at Tg, followed by sub-Tg annealing in-situ at 1 GPa. Through density, hardness, and heat capacity measurements, we demonstrate that the effects of hot compression and sub-Tg annealing can be combined to access a “forbidden glass” regime that is inaccessible through thermal history or pressure history variation alone. We also study the relaxation behavior of the densified samples during subsequent ambient pressure sub-Tg annealing. Density and hardness are found to relax and approach their ambient condition values upon annealing, but the difference in relaxation time of density and hardness, which is usually observed for hot compressed glasses, vanishes for samples previously subjected to high-pressure sub-Tg annealing. This confirms the unique configurational state of these glasses. PMID:28418017

Effects of annealing on the physical properties of therapeutic proteins during freeze drying process.

PubMed

Lim, Jun Yeul; Lim, Dae Gon; Kim, Ki Hyun; Park, Sang-Koo; Jeong, Seong Hoon

2018-02-01

Effects of annealing steps during the freeze drying process on etanercept, model protein, were evaluated using various analytical methods. The annealing was introduced in three different ways depending on time and temperature. Residual water contents of dried cakes varied from 2.91% to 6.39% and decreased when the annealing step was adopted, suggesting that they are directly affected by the freeze drying methods Moreover, the samples were more homogenous when annealing was adopted. Transition temperatures of the excipients (sucrose, mannitol, and glycine) were dependent on the freeze drying steps. Size exclusion chromatography showed that monomer contents were high when annealing was adopted and also they decreased less after thermal storage at 60°C. Dynamic light scattering results exhibited that annealing can be helpful in inhibiting aggregation and that thermal storage of freeze-dried samples preferably induced fragmentation over aggregation. Shift of circular dichroism spectrum and of the contents of etanercept secondary structure was observed with different freeze drying steps and thermal storage conditions. All analytical results suggest that the physicochemical properties of etanercept formulation can differ in response to different freeze drying steps and that annealing is beneficial for maintaining stability of protein and reducing the time of freeze drying process. Copyright © 2017 Elsevier B.V. All rights reserved.

Influence of intermediate annealing on abnormal Goss grain growth in the rolled columnar-grained Fe-Ga-Al alloys

NASA Astrophysics Data System (ADS)

Liu, Yangyang; Li, Jiheng; Gao, Xuexu

2017-08-01

Magnetostrictive Fe82Ga4.5Al13.5 sheets with 0.1 at% NbC were prepared from directional solidified alloys with <0 0 1> preferred orientation. The slabs were hot rolled at 650 °C and warm rolled at 500 °C. Then some warm-rolled sheets were annealed intermediately at 850 °C for 5 min but the others not. After that, all the sheets were cold rolled to a final thickness of ∼0.3 mm. The microstructures, the textures and the distributions of second phase particles in the primary recrystallized samples were investigated. With intermediate annealing, the inhomogeneous microstructure was improved remarkably and strong Goss ({1 1 0}<0 0 1>) and γ-fiber (<1 1 1>//normal direction [ND]) textures were produced in the primary recrystallized samples. But, an evident disadvantage in size and quantity was observed for Goss grains in the primary recrystallized sample without intermediate annealing. After a final annealing, the final textures and magnetostrictions of samples with and without intermediate annealing were characterized. For samples without intermediate annealing, abnormal growth of {1 1 3} grains occurred and deteriorated the magnetostriction. In contrast, abnormal Goss grain growth occurred completely in samples with intermediate annealing and led to saturation magnetostriction as high as 156 ppm.

Microstructure evolution and large magnetocaloric effect of La0.8Ce0.2(Fe0.95Co0.05)11.8Si1.2 alloy prepared by strip-casting and annealing

NASA Astrophysics Data System (ADS)

Zhong, X. C.; Feng, X. L.; Huang, J. H.; Zhang, H.; Huang, Y. L.; Liu, Z. W.; Jiao, D. L.

2018-04-01

The microstructure and magnetocaloric effect of the La0.8Ce0.2(Fe0.95Co0.05)11.8Si1.2 strip-cast flakes annealed between 1273K and 1423K for different time have been investigated. For the flakes annealed for 2h from 1273K to 1423K, the shape and distribution of α-Fe, La-rich and NaZn13-type 1:13 phases are quite sensitive to the annealing temperature. Especially, at a high annealing temperature of 1423K, the 1:13 phase began to decompose into macroscopic α-Fe conglomerations and La-rich dendrites. With the increase of annealing time from 0 to 12h at 1323K, the amount of 1:13 phase increased significantly and reached ˜93.50 wt.% at 12h. However, an overlong annealing time also led to 1:13 phase decomposition and influenced the magnetic performance. For the flakes annealed at 1323K for 12h, large magnetic entropy change value of 18.12Jkg-1K-1 at 5T has been obtained. The present results indicate that strip casting method can potentially be used in mass production of high performance magnetocaloric materials.

Impact of interface manipulation of oxide on electrical transport properties and low-frequency noise in MgO/NiFe/MgO heterojunctions

NASA Astrophysics Data System (ADS)

Li, Jian-wei; Zhao, Chong-jun; Feng, Chun; Zhou, Zhongfu; Yu, Guang-hua

2015-08-01

Low-frequency noise and magnetoresistance in sputtered-deposited Ta(5 nm)/MgO (3 nm)/NiFe(10 nm)/MgO(3 nm)/Ta(3 nm) films have been measured as a function of different annealing times at 400°C. These measurements did not change synchronously with annealing time. A significant increase in magnetoresistance is observed for short annealing times (of the order of minutes) and is correlated with a relatively small reduction in 1/f noise. In contrast, a significant reduction in 1/f noise is observed for long annealing times (of the order of hours) accompanied by a small change in magnetoresistance. After annealing for 2 hours, the 1/f noise decreases by three orders of magnitude. Transmission electron microscopy and slow positron annihilation results implicate the cause being micro-structural changes in the MgO layers and interfaces following different annealing times. The internal vacancies in the MgO layers gather into vacancy clusters to reduce the defect density after short annealing times, whereas the MgO/NiFe and the NiFe/MgO interfaces improve significantly after long annealing times with the amorphous MgO layers gradually crystallizing following the release of interfacial stress.

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.

Impact of interface manipulation of oxide on electrical transport properties and low-frequency noise in MgO/NiFe/MgO heterojunctions

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

Li, Jian-wei; School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083; Zhao, Chong-jun

2015-08-15

Low-frequency noise and magnetoresistance in sputtered-deposited Ta(5 nm)/MgO (3 nm)/NiFe(10 nm)/MgO(3 nm)/Ta(3 nm) films have been measured as a function of different annealing times at 400°C. These measurements did not change synchronously with annealing time. A significant increase in magnetoresistance is observed for short annealing times (of the order of minutes) and is correlated with a relatively small reduction in 1/f noise. In contrast, a significant reduction in 1/f noise is observed for long annealing times (of the order of hours) accompanied by a small change in magnetoresistance. After annealing for 2 hours, the 1/f noise decreases by three ordersmore » of magnitude. Transmission electron microscopy and slow positron annihilation results implicate the cause being micro-structural changes in the MgO layers and interfaces following different annealing times. The internal vacancies in the MgO layers gather into vacancy clusters to reduce the defect density after short annealing times, whereas the MgO/NiFe and the NiFe/MgO interfaces improve significantly after long annealing times with the amorphous MgO layers gradually crystallizing following the release of interfacial stress.« less

Surface morphological, electrical and transport properties of rapidly annealed double layers Ru/Cr Schottky structure on n-type InP

NASA Astrophysics Data System (ADS)

Shanthi Latha, K.; Rajagopal Reddy, V.

2017-07-01

The electrical and transport properties of a fabricated bilayer Ru/Cr/ n-InP Schottky diode (SD) have been investigated at different annealing temperatures. Atomic force microscopy results have showed that the overall surface morphology of the Ru/Cr/ n-InP SD is fairly smooth at elevated temperatures. High barrier height is achieved for the diode annealed at 300 °C compared to the as-deposited, annealed at 200 and 400 °C diodes. The series resistance and shunt resistance of the Ru/Cr/ n-InP SD are estimated by current-voltage method at different annealing temperatures. The barrier heights and series resistance are also determined by Cheung's and modified Norde functions. The interface state density of the Ru/Cr/ n-InP SD is found to be decreased after annealing at 300 °C and then slightly increased upon annealing at 400 °C. The difference between barrier heights obtained from current-voltage and capacitance-voltage is also discussed. Experimental results have showed that the Poole-Frenkel emission is found to be dominant in the lower bias region whereas Schottky emission is dominant in the higher bias region for the Ru/Cr/ n-InP SDs irrespective of annealing temperatures.

Annealing kinetics of radiation defects in boron-implanted p-Hg1‑xCdxTe

NASA Astrophysics Data System (ADS)

Talipov, Niyaz; Voitsekhovskii, Alexander

2018-06-01

The results of studying the annealing kinetics of the radiation-induced donor-type defects in boron implanted p-type Hg1‑x Cd x Te (MCT) are presented. The annealing kinetics of the radiation donor centers depend significantly on the dose of B+ ions, that is on the initial level of structural defects generated in the MCT lattice by ion bombardment. The activation energy E A of annealing of donor defects generated by implantation of B+ ions increases with increasing dose and temperature of the post-implantation heat treatment under the SiO2 cap. The smaller the dose and the higher the initial hole concentration in p-MCT, the lower the temperature of a complete annealing of donor centers, which lies in the range 220–275 °C. In the initial stages of the post-implantation heat treatment, primary donor defects are annealed, and then, more stable secondary impurity-defect complexes are annealed. It was established for the first time that the activation energy of the donor defects annealing in bulk crystals and heteroepitaxial structures of MCT has two clearly pronounced regions: at low temperatures 90–130 °C, E A = 0.06 eV and at Т = 150–250 °C, E A = 0.71–0.86 eV.

Air-annealing of Cu(In, Ga)Se2/CdS and performances of CIGS solar cells

NASA Astrophysics Data System (ADS)

Niu, X.; Zhu, H.; Liang, X.; Guo, Y.; Li, Z.; Mai, Y.

2017-12-01

In this study, the annealing treatment on Cu(In, Ga)Se2 (CIGS)/CdS interface in air is systematically investigated under different annealing temperatures from room temperature to 150 °C and different durations. It is found that when CIGS/CdS interface is annealed for a proper duration the corresponding CIGS thin film solar cells show enhanced open circuit voltage (Voc) and fill factor (FF) as well as corresponding conversion efficiency. The capacitance-voltage (C-V) and time-resolved photoluminescence (TR-PL) measurement results indicate that the CIGS thin film solar cells exhibit an increase in net defect density (NCV) and long lifetime for the carriers, respectively, after the annealing treatment of CIGS/CdS at a mediate annealing temperature here. Moreover, the net defect density of annealed solar cells at higher annealing temperatures for a long duration is reduced. All the variations in the solar cell performances, NCV and carrier lifetime would be related to the passivation of Se vacancies and InCu defects, surface (interface) states as well as positive interface discharges and Cu migration etc. A high efficiency CIGS solar cell of 14.4% is achieved. The optimized solar cell of 17.2% with a MgF2 anti-reflective layer has been obtained.

Quenched-in defects in flashlamp-annealed silicon

NASA Technical Reports Server (NTRS)

Borenstein, J. T.; Jones, J. T.; Corbett, J. W.; Oehrlein, G. S.; Kleinhenz, R. L.

1986-01-01

Deep levels introduced in boron-doped silicon by heat-pulse annealing with a tungsten-halogen flashlamp are investigated using deep-level transient spectroscopy. Two majority-carrier trapping levels in the band gap, at Ev + 0.32 eV and at Ev + 0.45 eV, are observed. These results are compared to those obtained by furnace-quenching and laser-annealing studies. Both the position in the gap and the annealing kinetics of the hole trap at Ev + 0.45 eV suggest that this center is due to an interstitial iron impurity in the lattice. The deep levels are not consistently observed in all flashlamp-annealed Si crystals utilized.

Rapid Annealing Of Amorphous Hydrogenated Carbon

NASA Technical Reports Server (NTRS)

Alterovitz, Samuel A.; Pouch, John J.; Warner, Joseph D.

1989-01-01

Report describes experiments to determine effects of rapid annealing on films of amorphous hydrogenated carbon. Study represents first efforts to provide information for applications of a-C:H films where rapid thermal processing required. Major finding, annealing causes abrupt increase in absorption and concomitant decrease in optical band gap. Most of change occurs during first 20 s, continues during longer annealing times. Extend of change increases with annealing temperature. Researchers hypothesize abrupt initial change caused by loss of hydrogen, while gradual subsequent change due to polymerization of remaining carbon into crystallites or sheets of graphite. Optical band gaps of unannealed specimens on silicon substrates lower than those of specimens on quartz substrates.

The HARP domain dictates the annealing helicase activity of HARP/SMARCAL1.

PubMed

Ghosal, Gargi; Yuan, Jingsong; Chen, Junjie

2011-06-01

Mutations in HepA-related protein (HARP, or SMARCAL1) cause Schimke immunoosseous dysplasia (SIOD). HARP has ATP-dependent annealing helicase activity, which helps to stabilize stalled replication forks and facilitate DNA repair during replication. Here, we show that the conserved tandem HARP (2HP) domain dictates this annealing helicase activity. Furthermore, chimeric proteins generated by fusing the 2HP domain of HARP with the SNF2 domain of BRG1 or HELLS show annealing helicase activity in vitro and, when targeted to replication forks, mimic the functions of HARP in vivo. We propose that the HARP domain endows HARP with this ATP-driven annealing helicase activity.

Effect of Ag doping and annealing on thermoelectric properties of PbTe

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

Bala, Manju, E-mail: Manjubala474@gmail.com; Tripathi, T. S.; Avasthi, D. K.

2015-06-24

The present study reveals that annealing Ag doped PbTe thin films enhance thermoelectric properties. Phase formation was identified by using X-ray diffraction measurement. Annealing increases the crystallinity of both undoped and Ag doped PbTe. Electrical resistivity and thermoelectric power measurements are done using four probe and bridge method respectively. The increase in thermoelectric power of Ag doped PbTe is 29 % in comparison to undoped PbTe and it further increases to 34 % after annealing at 250{sup o} C for 1 hour whereas thermoelectric power increases by 14 % on annealing undoped PbTe thin films at same temperature.

Method for restoring the resistance of indium oxide semiconductors after heating while in sealed structures

DOEpatents

Seager, C.H.; Evans, J.T. Jr.

1998-11-24

A method is described for counteracting increases in resistivity encountered when Indium Oxide resistive layers are subjected to high temperature annealing steps during semiconductor device fabrication. The method utilizes a recovery annealing step which returns the Indium Oxide layer to its original resistivity after a high temperature annealing step has caused the resistivity to increase. The recovery anneal comprises heating the resistive layer to a temperature between 100 C and 300 C for a period of time that depends on the annealing temperature. The recovery is observed even when the Indium Oxide layer is sealed under a dielectric layer. 1 fig.

Method for restoring the resistance of indium oxide semiconductors after heating while in sealed structures

DOEpatents

Seager, Carleton H.; Evans, Jr., Joseph Tate

1998-01-01

A method for counteracting increases in resistivity encountered when Indium Oxide resistive layers are subjected to high temperature annealing steps during semiconductor device fabrication. The method utilizes a recovery annealing step which returns the Indium Oxide layer to its original resistivity after a high temperature annealing step has caused the resistivity to increase. The recovery anneal comprises heating the resistive layer to a temperature between 100.degree. C. and 300.degree. C. for a period of time that depends on the annealing temperature. The recovery is observed even when the Indium Oxide layer is sealed under a dielectric layer.

Parameter Estimation in Epidemiology: from Simple to Complex Dynamics

NASA Astrophysics Data System (ADS)

Aguiar, Maíra; Ballesteros, Sebastién; Boto, João Pedro; Kooi, Bob W.; Mateus, Luís; Stollenwerk, Nico

2011-09-01

We revisit the parameter estimation framework for population biological dynamical systems, and apply it to calibrate various models in epidemiology with empirical time series, namely influenza and dengue fever. When it comes to more complex models like multi-strain dynamics to describe the virus-host interaction in dengue fever, even most recently developed parameter estimation techniques, like maximum likelihood iterated filtering, come to their computational limits. However, the first results of parameter estimation with data on dengue fever from Thailand indicate a subtle interplay between stochasticity and deterministic skeleton. The deterministic system on its own already displays complex dynamics up to deterministic chaos and coexistence of multiple attractors.

Inherent Conservatism in Deterministic Quasi-Static Structural Analysis

NASA Technical Reports Server (NTRS)

Verderaime, V.

1997-01-01

The cause of the long-suspected excessive conservatism in the prevailing structural deterministic safety factor has been identified as an inherent violation of the error propagation laws when reducing statistical data to deterministic values and then combining them algebraically through successive structural computational processes. These errors are restricted to the applied stress computations, and because mean and variations of the tolerance limit format are added, the errors are positive, serially cumulative, and excessively conservative. Reliability methods circumvent these errors and provide more efficient and uniform safe structures. The document is a tutorial on the deficiencies and nature of the current safety factor and of its improvement and transition to absolute reliability.

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

Influence of annealing on X-ray radiation sensing properties of TiO2 thin film

NASA Astrophysics Data System (ADS)

Sarma, M. P.; Kalita, J. M.; Wary, G.

2018-03-01

A recent study shows that the titanium dioxide (TiO2) thin film synthesised by a chemical bath deposition technique is a very useful material for the X-ray radiation sensor. In this work, we reported the influence of annealing on the X-ray radiation detection sensitivity of the TiO2 film. The films were annealed at 333 K, 363 K, 393 K, 473 K, and 573 K for 1 hour. Structural analyses showed that the microstrain and dislocation density decreased whereas the average crystallite size increased with annealing. The band gap of the films also decreased from 3.26 eV to 3.10 eV after annealing. The I-V characteristics record under the dark condition and under the X-ray irradiation showed that the conductivity increased with annealing. The influence of annealing on the detection sensitivity was negligible if the bias voltage applied across the films was low (within 0.2 V‒1.0 V). At higher bias voltage (>1.0 V), the contribution of electrons excited by X-ray became less significant which affected the detection sensitivity.

Microwave Synthesized ZnO Nanorod Arrays for UV Sensors: A Seed Layer Annealing Temperature Study.

PubMed

Pimentel, Ana; Ferreira, Sofia Henriques; Nunes, Daniela; Calmeiro, Tomas; Martins, Rodrigo; Fortunato, Elvira

2016-04-20

The present work reports the influence of zinc oxide (ZnO) seed layer annealing temperature on structural, optical and electrical properties of ZnO nanorod arrays, synthesized by hydrothermal method assisted by microwave radiation, to be used as UV sensors. The ZnO seed layer was produced using the spin-coating method and several annealing temperatures, ranging from 100 to 500 °C, have been tested. X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and spectrophotometry measurements have been used to investigate the structure, morphology, and optical properties variations of the produced ZnO nanorod arrays regarding the seed layer annealing temperatures employed. After the growth of ZnO nanorod arrays, the whole structure was tested as UV sensors, showing an increase in the sensitivity with the increase of seed layer annealing temperature. The UV sensor response of ZnO nanorod arrays produced with the seed layer annealed temperature of 500 °C was 50 times superior to the ones produced with a seed layer annealed at 100 °C.

Influence of annealing temperature on Raman and photoluminescence spectra of electron beam evaporated TiO₂ thin films.

PubMed

Vishwas, M; Narasimha Rao, K; Chakradhar, R P S

2012-12-01

Titanium dioxide (TiO(2)) thin films were deposited on fused quartz substrates by electron beam evaporation method at room temperature. The films were annealed at different temperatures in ambient air. The surface morphology/roughness at different annealing temperatures were analyzed by atomic force microscopy (AFM). The crystallinity of the film has improved with the increase of annealing temperature. The effect of annealing temperature on optical, photoluminescence and Raman spectra of TiO(2) films were investigated. The refractive index of TiO(2) films were studied by envelope method and reflectance spectra and it is observed that the refractive index of the films was high. The photoluminescence intensity corresponding to green emission was enhanced with increase of annealing temperature. The peaks in Raman spectra depicts that the TiO(2) film is of anatase phase after annealing at 300°C and higher. The films show high refractive index, good optical quality and photoluminescence characteristics suggest that possible usage in opto-electronic and optical coating applications. Copyright © 2012 Elsevier B.V. All rights reserved.

Microwave Synthesized ZnO Nanorod Arrays for UV Sensors: A Seed Layer Annealing Temperature Study

PubMed Central

Pimentel, Ana; Ferreira, Sofia Henriques; Nunes, Daniela; Calmeiro, Tomas; Martins, Rodrigo; Fortunato, Elvira

2016-01-01

The present work reports the influence of zinc oxide (ZnO) seed layer annealing temperature on structural, optical and electrical properties of ZnO nanorod arrays, synthesized by hydrothermal method assisted by microwave radiation, to be used as UV sensors. The ZnO seed layer was produced using the spin-coating method and several annealing temperatures, ranging from 100 to 500 °C, have been tested. X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and spectrophotometry measurements have been used to investigate the structure, morphology, and optical properties variations of the produced ZnO nanorod arrays regarding the seed layer annealing temperatures employed. After the growth of ZnO nanorod arrays, the whole structure was tested as UV sensors, showing an increase in the sensitivity with the increase of seed layer annealing temperature. The UV sensor response of ZnO nanorod arrays produced with the seed layer annealed temperature of 500 °C was 50 times superior to the ones produced with a seed layer annealed at 100 °C. PMID:28773423

Anomalous annealing of floating gate errors due to heavy ion irradiation

NASA Astrophysics Data System (ADS)

Yin, Yanan; Liu, Jie; Sun, Youmei; Hou, Mingdong; Liu, Tianqi; Ye, Bing; Ji, Qinggang; Luo, Jie; Zhao, Peixiong

2018-03-01

Using the heavy ions provided by the Heavy Ion Research Facility in Lanzhou (HIRFL), the annealing of heavy-ion induced floating gate (FG) errors in 34 nm and 25 nm NAND Flash memories has been studied. The single event upset (SEU) cross section of FG and the evolution of the errors after irradiation depending on the ion linear energy transfer (LET) values, data pattern and feature size of the device are presented. Different rates of annealing for different ion LET and different pattern are observed in 34 nm and 25 nm memories. The variation of the percentage of different error patterns in 34 nm and 25 nm memories with annealing time shows that the annealing of FG errors induced by heavy-ion in memories will mainly take place in the cells directly hit under low LET ion exposure and other cells affected by heavy ions when the ion LET is higher. The influence of Multiple Cell Upsets (MCUs) on the annealing of FG errors is analyzed. MCUs with high error multiplicity which account for the majority of the errors can induce a large percentage of annealed errors.

Thermoluminescent properties of nanocrystalline ZnTe thin films: Structural and morphological studies

NASA Astrophysics Data System (ADS)

Rajpal, Shashikant; Kumar, S. R.

2018-04-01

Zinc Telluride (ZnTe) is a binary II-VI direct band gap semiconducting material with cubic structure and having potential applications in different opto-electronic devices. Here we investigated the effects of annealing on the thermoluminescence (TL) of ZnTe thin films. A nanocrystalline ZnTe thin film was successfully electrodeposited on nickel substrate and the effect of annealing on structural, morphological, and optical properties were studied. The TL emission spectrum of as deposited sample is weakly emissive in UV region at ∼328 nm. The variation in the annealing temperature results into sharp increase in emission intensity at ∼328 nm along with appearance of a new peak at ∼437 nm in visible region. Thus, the deposited nanocrystalline ZnTe thin films exhibited excellent thermoluminescent properties upon annealing. Furthermore, the influence of annealing (annealed at 400 °C) on the solid state of ZnTe were also studied by XRD, SEM, EDS, AFM. It is observed that ZnTe thin film annealed at 400 °C after deposition provide a smooth and flat texture suited for optoelectronic applications.

Enhancing the performance of tungsten doped InZnO thin film transistors via sequential ambient annealing

NASA Astrophysics Data System (ADS)

Park, Hyun-Woo; Song, Aeran; Kwon, Sera; Choi, Dukhyun; Kim, Younghak; Jun, Byung-Hyuk; Kim, Han-Ki; Chung, Kwun-Bum

2018-03-01

This study suggests a sequential ambient annealing process as an excellent post-treatment method to enhance the device performance and stability of W (tungsten) doped InZnO thin film transistors (WIZO-TFTs). Sequential ambient annealing at 250 °C significantly enhanced the device performance and stability of WIZO-TFTs, compared with other post-treatment methods, such as air ambient annealing and vacuum ambient annealing at 250 °C. To understand the enhanced device performance and stability of WIZO-TFT with sequential ambient annealing, we investigate the correlations between device performance and stability and electronic structures, such as band alignment, a feature of the conduction band, and band edge states below the conduction band. The enhanced performance of WIZO-TFTs with sequential ambient annealing is related to the modification of the electronic structure. In addition, the dominant mechanism responsible for the enhanced device performance and stability of WIZO-TFTs is considered to be a change in the shallow-level and deep-level band edge states below the conduction band.

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.

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.

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.

In-situ cyclic pulse annealing of InN on AlN/Si during IR-lamp-heated MBE growth

NASA Astrophysics Data System (ADS)

Suzuki, Akira; Bungi, Yu; Araki, Tsutomu; Nanishi, Yasushi; Mori, Yasuaki; Yamamoto, Hiroaki; Harima, Hiroshi

2009-05-01

To improve crystal quality of InN, an in-situ cyclic rapid pulse annealing during growth was carried out using infrared-lamp-heated molecular beam epitaxy. A cycle of 4 min growth of InN at 400 °C and 3 s pulse annealing at a higher temperature was repeated 15 times on AlN on Si substrate. Annealing temperatures were 550, 590, 620, and 660 °C. The back of Si was directly heated by lamp irradiation through a quartz rod. A total InN film thickness was about 200 nm. With increasing annealing temperature up to 620 °C, crystal grain size by scanning electron microscope showed a tendency to increase, while widths of X-ray diffraction rocking curve of (0 0 0 2) reflection and E 2 (high) mode peak of Raman scattering spectra decreased. A peak of In (1 0 1) appeared in X-ray diffraction by annealing higher than 590 °C, and In droplets were found on the surface by annealing at 660 °C.

Selective molecular annealing: in situ small angle X-ray scattering study of microwave-assisted annealing of block copolymers.

PubMed

Toolan, Daniel T W; Adlington, Kevin; Isakova, Anna; Kalamiotis, Alexis; Mokarian-Tabari, Parvaneh; Dimitrakis, Georgios; Dodds, Christopher; Arnold, Thomas; Terrill, Nick J; Bras, Wim; Hermida Merino, Daniel; Topham, Paul D; Irvine, Derek J; Howse, Jonathan R

2017-08-09

Microwave annealing has emerged as an alternative to traditional thermal annealing approaches for optimising block copolymer self-assembly. A novel sample environment enabling small angle X-ray scattering to be performed in situ during microwave annealing is demonstrated, which has enabled, for the first time, the direct study of the effects of microwave annealing upon the self-assembly behavior of a model, commercial triblock copolymer system [polystyrene-block-poly(ethylene-co-butylene)-block-polystyrene]. Results show that the block copolymer is a poor microwave absorber, resulting in no change in the block copolymer morphology upon application of microwave energy. The block copolymer species may only indirectly interact with the microwave energy when a small molecule microwave-interactive species [diethylene glycol dibenzoate (DEGDB)] is incorporated directly into the polymer matrix. Then significant morphological development is observed at DEGDB loadings ≥6 wt%. Through spatial localisation of the microwave-interactive species, we demonstrate targeted annealing of specific regions of a multi-component system, opening routes for the development of "smart" manufacturing methodologies.

Effect of using two-step thermal annealing with different ambient gas on Mg activation and crystalline quality in GaN

NASA Astrophysics Data System (ADS)

Azimah, E.; Zainal, N.; Shuhaimi, A.; Hassan, Z.

2015-06-01

Two-step thermal annealing with different ambient gas was proposed to improve the activation of Mg doping in MOCVD-GaN films; (1) with nitrogen at the first step and followed by oxygen (N2/O2) and (2) with O2 and then by N2 (O2/N2). For comparison, two samples annealed in one-step thermal annealing using air and N2, respectively were also prepared. From Hall-effect measurement, the two-step annealing with the use of O2/N2 treatment was found to give the highest hole concentration at to 5.5 × 1017 cm-3. On the other hand, Raman spectroscopy and XRD measurements revealed that the O2/N2 annealed sample exhibited the smallest compressive strain and FWHM (full width at high maximum) compared to others. Hence, the annealing with O2/N2 is proposed to be the most promising technique that not only to increase the hole concentration effectively but also to improve the crystalline quality of the samples.

Understanding the effect of annealing temperature on crystalline structure, morphology, and photocatalytic activity of silver-loaded TiO2 nanotubes

NASA Astrophysics Data System (ADS)

Viet, Pham Van; Phuong Trang, Duong Dao; Phat, Bui Dai; Hieu, Le Van; Thi, Cao Minh

2018-05-01

In this study, we classified the effect of the annealing temperature on silver-loaded TiO2 nanotubes (Ag/TNTs). X-ray diffraction results demonstrate that TNTs have a tendency of phase transformation owing to silver nanoparticles (Ag NPs). The Brunauer-Emmett-Teller method indicates that Ag/TNTs is a mesopore material and the surface area of Ag/TNTs decreases when the annealing temperature increases. This research concluded that the TNT structure begins to break at high annealing temperatures (>400 °C) and is completely broken at 500 °C. The average diameter of the Ag NPs in Ag/TNTs increases linearly with the annealing temperature. In addition, this study clearly explained the oxidation state transformation of Ag in Ag/TNTs under the impact of the annealing temperature, therein, the Ag0 state is transferred completely to Ag+ at 400 °C, and some Ag+ is oxidized to form Ag2+. The Ag/TNTs and Ag/TNTs annealed at 300 °C provided the good methylene blue photodegradation ability for 150 min under sunlight condition.

Sampled-Data Consensus of Linear Multi-agent Systems With Packet Losses.

PubMed

Zhang, Wenbing; Tang, Yang; Huang, Tingwen; Kurths, Jurgen

In this paper, the consensus problem is studied for a class of multi-agent systems with sampled data and packet losses, where random and deterministic packet losses are considered, respectively. For random packet losses, a Bernoulli-distributed white sequence is used to describe packet dropouts among agents in a stochastic way. For deterministic packet losses, a switched system with stable and unstable subsystems is employed to model packet dropouts in a deterministic way. The purpose of this paper is to derive consensus criteria, such that linear multi-agent systems with sampled-data and packet losses can reach consensus. By means of the Lyapunov function approach and the decomposition method, the design problem of a distributed controller is solved in terms of convex optimization. The interplay among the allowable bound of the sampling interval, the probability of random packet losses, and the rate of deterministic packet losses are explicitly derived to characterize consensus conditions. The obtained criteria are closely related to the maximum eigenvalue of the Laplacian matrix versus the second minimum eigenvalue of the Laplacian matrix, which reveals the intrinsic effect of communication topologies on consensus performance. Finally, simulations are given to show the effectiveness of the proposed results.In this paper, the consensus problem is studied for a class of multi-agent systems with sampled data and packet losses, where random and deterministic packet losses are considered, respectively. For random packet losses, a Bernoulli-distributed white sequence is used to describe packet dropouts among agents in a stochastic way. For deterministic packet losses, a switched system with stable and unstable subsystems is employed to model packet dropouts in a deterministic way. The purpose of this paper is to derive consensus criteria, such that linear multi-agent systems with sampled-data and packet losses can reach consensus. By means of the Lyapunov function approach and the decomposition method, the design problem of a distributed controller is solved in terms of convex optimization. The interplay among the allowable bound of the sampling interval, the probability of random packet losses, and the rate of deterministic packet losses are explicitly derived to characterize consensus conditions. The obtained criteria are closely related to the maximum eigenvalue of the Laplacian matrix versus the second minimum eigenvalue of the Laplacian matrix, which reveals the intrinsic effect of communication topologies on consensus performance. Finally, simulations are given to show the effectiveness of the proposed results.

Comparison of space radiation calculations for deterministic and Monte Carlo transport codes

NASA Astrophysics Data System (ADS)

Lin, Zi-Wei; Adams, James; Barghouty, Abdulnasser; Randeniya, Sharmalee; Tripathi, Ram; Watts, John; Yepes, Pablo

For space radiation protection of astronauts or electronic equipments, it is necessary to develop and use accurate radiation transport codes. Radiation transport codes include deterministic codes, such as HZETRN from NASA and UPROP from the Naval Research Laboratory, and Monte Carlo codes such as FLUKA, the Geant4 toolkit and HETC-HEDS. The deterministic codes and Monte Carlo codes complement each other in that deterministic codes are very fast while Monte Carlo codes are more elaborate. Therefore it is important to investigate how well the results of deterministic codes compare with those of Monte Carlo transport codes and where they differ. In this study we evaluate these different codes in their space radiation applications by comparing their output results in the same given space radiation environments, shielding geometry and material. Typical space radiation environments such as the 1977 solar minimum galactic cosmic ray environment are used as the well-defined input, and simple geometries made of aluminum, water and/or polyethylene are used to represent the shielding material. We then compare various outputs of these codes, such as the dose-depth curves and the flux spectra of different fragments and other secondary particles. These comparisons enable us to learn more about the main differences between these space radiation transport codes. At the same time, they help us to learn the qualitative and quantitative features that these transport codes have in common.

Extraction of angle deterministic signals in the presence of stationary speed fluctuations with cyclostationary blind source separation

NASA Astrophysics Data System (ADS)

Delvecchio, S.; Antoni, J.

2012-02-01

This paper addresses the use of a cyclostationary blind source separation algorithm (namely RRCR) to extract angle deterministic signals from mechanical rotating machines in presence of stationary speed fluctuations. This means that only phase fluctuations while machine is running in steady-state conditions are considered while run-up or run-down speed variations are not taken into account. The machine is also supposed to run in idle conditions so non-stationary phenomena due to the load are not considered. It is theoretically assessed that in such operating conditions the deterministic (periodic) signal in the angle domain becomes cyclostationary at first and second orders in the time domain. This fact justifies the use of the RRCR algorithm, which is able to directly extract the angle deterministic signal from the time domain without performing any kind of interpolation. This is particularly valuable when angular resampling fails because of uncontrolled speed fluctuations. The capability of the proposed approach is verified by means of simulated and actual vibration signals captured on a pneumatic screwdriver handle. In this particular case not only the extraction of the angle deterministic part can be performed but also the separation of the main sources of excitation (i.e. motor shaft imbalance, epyciloidal gear meshing and air pressure forces) affecting the user hand during operations.

Northern Hemisphere glaciation and the evolution of Plio-Pleistocene climate noise

NASA Astrophysics Data System (ADS)

Meyers, Stephen R.; Hinnov, Linda A.

2010-08-01

Deterministic orbital controls on climate variability are commonly inferred to dominate across timescales of 104-106 years, although some studies have suggested that stochastic processes may be of equal or greater importance. Here we explicitly quantify changes in deterministic orbital processes (forcing and/or pacing) versus stochastic climate processes during the Plio-Pleistocene, via time-frequency analysis of two prominent foraminifera oxygen isotopic stacks. Our results indicate that development of the Northern Hemisphere ice sheet is paralleled by an overall amplification of both deterministic and stochastic climate energy, but their relative dominance is variable. The progression from a more stochastic early Pliocene to a strongly deterministic late Pleistocene is primarily accommodated during two transitory phases of Northern Hemisphere ice sheet growth. This long-term trend is punctuated by “stochastic events,” which we interpret as evidence for abrupt reorganization of the climate system at the initiation and termination of the mid-Pleistocene transition and at the onset of Northern Hemisphere glaciation. In addition to highlighting a complex interplay between deterministic and stochastic climate change during the Plio-Pleistocene, our results support an early onset for Northern Hemisphere glaciation (between 3.5 and 3.7 Ma) and reveal some new characteristics of the orbital signal response, such as the puzzling emergence of 100 ka and 400 ka cyclic climate variability during theoretical eccentricity nodes.

Tag-mediated cooperation with non-deterministic genotype-phenotype mapping

NASA Astrophysics Data System (ADS)

Zhang, Hong; Chen, Shu

2016-01-01

Tag-mediated cooperation provides a helpful framework for resolving evolutionary social dilemmas. However, most of the previous studies have not taken into account genotype-phenotype distinction in tags, which may play an important role in the process of evolution. To take this into consideration, we introduce non-deterministic genotype-phenotype mapping into a tag-based model with spatial prisoner's dilemma. By our definition, the similarity between genotypic tags does not directly imply the similarity between phenotypic tags. We find that the non-deterministic mapping from genotypic tag to phenotypic tag has non-trivial effects on tag-mediated cooperation. Although we observe that high levels of cooperation can be established under a wide variety of conditions especially when the decisiveness is moderate, the uncertainty in the determination of phenotypic tags may have a detrimental effect on the tag mechanism by disturbing the homophilic interaction structure which can explain the promotion of cooperation in tag systems. Furthermore, the non-deterministic mapping may undermine the robustness of the tag mechanism with respect to various factors such as the structure of the tag space and the tag flexibility. This observation warns us about the danger of applying the classical tag-based models to the analysis of empirical phenomena if genotype-phenotype distinction is significant in real world. Non-deterministic genotype-phenotype mapping thus provides a new perspective to the understanding of tag-mediated cooperation.

Rebonding of Se to As and Ge in Ge33As12Se55 films upon thermal annealing: Evidence from x-ray photoelectron spectra investigations

NASA Astrophysics Data System (ADS)

Wang, R. P.; Choi, D. Y.; Rode, A. V.; Madden, S. J.; Luther-Davies, B.

2007-06-01

We have measured and analyzed x-ray photoelectron spectra (XPS) of as-grown and annealed Ge33As12Se55 films compared with bulk material. We found that the as-grown film contains a large number of separated Se clusters which can coalesce with As and Ge after annealing at high temperatures. In addition, both the Ge and As 3d spectra show the presence of oxides. While the Ge oxidation increases with an increasing annealing temperature, As oxidation is almost unaffected by annealing. The difference could be due to their different electro-negativities. Our results suggest that, while thermal annealing is effective to move the film toward the bond structure of bulk glass, the simultaneous surface oxidation must be suppressed in order to achieve high quality films.

Chalcogen (O2, S, Se, Te) atmosphere annealing induced bulk superconductivity in Fe1+yTe1-xSex single crystal

NASA Astrophysics Data System (ADS)

Sun, Y.; Tsuchiya, Y.; Yamada, T.; Taen, T.; Pyon, S.; Shi, Z. X.; Tamegai, T.

2014-09-01

We reported a detailed study of Fe1+yTe0.6Se0.4 single crystals annealed in the atmosphere of chalcogens (O2, S, Se, Te). After annealing with appropriate amount of chalcogens, Fe1+yTe0.6Se0.4 single crystals show Tc higher than 14 K with a sharp transition width ∼1 K. Critical current density Jc for the annealed crystals reach a very high value ∼2-4 × 105 A/cm2 under zero field, and is also robust under applied field at low temperatures. Magneto-optical imaging reveal that the Jc is homogeneously distributed in the annealed crystals and isotropic in the ab-plane. Our results show that annealing in the atmosphere of chalcogens can successfully induce bulk superconductivity in Fe1+yTe0.6Se0.4.

All-dry transferred single- and few-layer MoS2 field effect transistor with enhanced performance by thermal annealing

NASA Astrophysics Data System (ADS)

Islam, Arnob; Lee, Jaesung; Feng, Philip X.-L.

2018-01-01

We report on the experimental demonstration of all-dry stamp transferred single- and few-layer (1L to 3L) molybdenum disulfide (MoS2) field effect transistors (FETs), with a significant enhancement of device performance by employing thermal annealing in moderate vacuum. Three orders of magnitude reduction in both contact and channel resistances have been attained via thermal annealing. We obtain a low contact resistance of 22 kΩ μm after thermal annealing of 1L MoS2 FETs stamp-transferred onto gold (Au) contact electrodes. Furthermore, nearly two orders of magnitude enhancement of field effect mobility are also observed after thermal annealing. Finally, we employ Raman and photoluminescence measurements to reveal the phenomena of alloying or hybridization between 1L MoS2 and its contacting electrodes during annealing, which is responsible for attaining the low contact resistance.

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

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

Crystal growth and annealing method and apparatus

DOEpatents

Gianoulakis, Steven E.; Sparrow, Robert

2001-01-01

A method and apparatus for producing crystals that minimizes birefringence even at large crystal sizes, and is suitable for production of CaF.sub.2 crystals. The method of the present invention comprises annealing a crystal by maintaining a minimal temperature gradient in the crystal while slowly reducing the bulk temperature of the crystal. An apparatus according to the present invention includes a thermal control system added to a crystal growth and annealing apparatus, wherein the thermal control system allows a temperature gradient during crystal growth but minimizes the temperature gradient during crystal annealing. An embodiment of the present invention comprises a secondary heater incorporated into a conventional crystal growth and annealing apparatus. The secondary heater supplies heat to minimize the temperature gradients in the crystal during the annealing process. The secondary heater can mount near the bottom of the crucible to effectively maintain appropriate temperature gradients.

The effect of annealing on the MR and exchange bias characteristics in dual spin valve with nano-oxide layer

NASA Astrophysics Data System (ADS)

Jang, S. H.; Kang, T.; Kim, H. J.; Kim, K. Y.

2002-02-01

We investigated magnetoresistance (MR) and exchange bias properties by annealing in the dual spin valve (SV) with nano-oxide layer (NOL). By analyzing effects of NOL in top and bottom pinned simple SVs, MR enhancement effect of NOL inserted in the bottom pinned layer was higher than that of NOL in the top pinned layer with annealing. By the enhanced specular scattering of electrons by NOL, the MR ratio of dual SV with NOL was increased to 15.5-15.9% with an annealing of 200-250°C. Exchange coupling constant Jex was improved rapidly as 0.13-0.16 erg/cm 2 by annealing in the bottom pinned layer, whereas the effect of annealing was not large in the top pinned layer with Jex of about 0.09-0.116 erg/cm 2.

Enhanced exchange bias in MnN/CoFe bilayers after high-temperature annealing

NASA Astrophysics Data System (ADS)

Dunz, M.; Schmalhorst, J.; Meinert, M.

2018-05-01

We report an exchange bias of more than 2700 Oe at room temperature in MnN/CoFe bilayers after high-temperature annealing. We studied the dependence of exchange bias on the annealing temperature for different MnN thicknesses in detail and found that samples with tMnN > 32nm show an increase of exchange bias for annealing temperatures higher than TA = 400 °C. Maximum exchange bias values exceeding 2000 Oe with reasonably small coercive fields around 600 Oe are achieved for tMnN = 42, 48 nm. The median blocking temperature of those systems is determined to be 180 °C after initial annealing at TA = 525 °C. X-ray diffraction measurements and Auger depth profiling show that the large increase of exchange bias after high-temperature annealing is accompanied by strong nitrogen diffusion into the Ta buffer layer of the stacks.

Annealing results on low-energy proton-irradiated GaAs solar cells

NASA Technical Reports Server (NTRS)

Kachare, R.; Anspaugh, B. E.; O'Meara, L.

1988-01-01

AlGaAs/GaAs solar cells with an approximately 0.5-micron-thick Al(0.85)Ga(0.15)As window layer were irradiated using normal and isotropic incident protons having energies between 50 and 500 keV with fluence up to 1 x 10 to the 12th protons/sq cm. The irradiated cells were annealed at temperatures between 150 and 300 C in nitrogen ambient. The annealing results reveal that significant recovery in spectral response at longer wavelengths occurred. However, the short-wavelength spectral response showed negligible annealing, irrespective of the irradiation energy and annealing conditions. This indicates that the damage produced near the AlGaAs/GaAs interface and the space-charge region anneals differently than damage produced in the bulk. This is explained by using a model in which the as-grown dislocations interact with irradiation-induced point defects to produce thermally stable defects.

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.

Rapid, cool sintering of wet processed yttria-stabilized zirconia ceramic electrolyte thin films.

PubMed

Park, Jun-Sik; Kim, Dug-Joong; Chung, Wan-Ho; Lim, Yonghyun; Kim, Hak-Sung; Kim, Young-Beom

2017-09-29

Here we report a photonic annealing process for yttria-stabilized zirconia films, which are one of the most well-known solid-state electrolytes for solid oxide fuel cells (SOFCs). Precursor films were coated using a wet-chemical method with a simple metal-organic precursor solution and directly annealed at standard pressure and temperature by two cycles of xenon flash lamp irradiation. The residual organics were almost completely decomposed in the first pre-annealing step, and the fluorite crystalline phases and good ionic conductivity were developed during the second annealing step. These films showed properties comparable to those of thermally annealed films. This process is much faster than conventional annealing processes (e.g. halogen furnaces); a few seconds compared to tens of hours, respectively. The significance of this work includes the treatment of solid-state electrolyte oxides for SOFCs and the demonstration of the feasibility of other oxide components for solid-state energy devices.

Annealing effects on the structural and magnetic properties of off-stoichiometric Fe-Mn-Ga ferromagnetic shape memory alloys

DOE PAGES

Chen, Yan; Bei, Hongbin; Dela Cruz, Clarina R; ...

2016-05-07

Annealing plays an important role in modifying structures and properties of ferromagnetic shape memory alloys (FSMAs). The annealing effect on the structures and magnetic properties of off-stoichiometric Fe 45Mn 26Ga 29 FSMA has been investigated at different elevated temperatures. Rietveld refinements of neutron diffraction patterns display that the formation of the γ phase in Fe 45Mn 26Ga 29 annealed at 1073 K increases the martensitic transformation temperature and reduces the thermal hysteresis in comparison to the homogenized sample. The phase segregation of a Fe-rich cubic phase and a Ga-rich cubic phase occurs at the annealing temperature of 773 K. Themore » atomic occupancies of the alloys are determined thanks to the neutron's capability of differentiating transition metals. The annealing effects at different temperatures introduce a different magnetic characteristic that is associated with distinctive structural changes in the crystal.« less

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.

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

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.

Synthesis and characterization of nickel oxide particulate annealed at different temperatures

NASA Astrophysics Data System (ADS)

Sharma, Khem Raj; Thakur, Shilpa; Negi, N. S.

2018-04-01

Nickel oxide has been synthesized by solution combustion technique. The nickel oxide ceramic was annealed at 600°C and 1000°C for 2 hours. Structural, electrical, dielectric and magnetic properties were analyzed which are strongly dependent upon the synthesis method. Structural properties were examined by X-ray diffractometer (XRD), which confirmed the purity and cubic phase of nickel oxide. XRD data reveals the increase in crystallite size and decrease in full width half maximum (FWHM) as the annealing temperature increases. Electrical conductivity is found to increase from 10-6 to 10-5 (Ω-1cm-1) after annealing. Dielectric constant is observed to increase from 26 to 175 when the annealing temperature is increased from 600°C to 1000°C. Low value of coercive field is found which shows weak ferromagnetic behavior of NiO. It is observed that all the properties of NiO particulate improve with increasing annealing temperature.

Observation of shift in band gap with annealing in hydrothermally synthesized TiO2-thin films

NASA Astrophysics Data System (ADS)

Pawar, Vani; Jha, Pardeep K.; Singh, Prabhakar

2018-05-01

Anatase TiO2 thin films were synthesized by hydrothermal method. The films were fabricated on a glass substrate by spin coating unit and annealed at 500 °C for 2 hours in ambient atmosphere. The effect of annealing on microstructure and optical properties of TiO2 thin films namely, just deposited and annealed thin film were investigated. The XRD data confirms the tetragonal crystalline structure of the films with space group I41/amd. The surface morphology suggests that TiO2 particles are almost homogeneous in size and annealing of the film affect the grain growth of the particles. The band gap energy increases from 2.81 to 3.34 eV. On the basis of our observation, it can be concluded that the annealing of TiO2 thin films enhances the absorption range and it may find potential application in the field of solar cells.

Evolution of microstructure and surface topography of gold thin films under thermal annealing

NASA Astrophysics Data System (ADS)

Dash, P.; Rath, H.; Dash, B. N.; Mallick, P.; Basu, T.; Som, T.; Singh, U. P.; Mishra, N. C.

2012-07-01

In the present study, we probe into evolution of microstructure and surface morphology of gold thin films of 10 to 50 nm thickness deposited on Si (100) substrate by thermal evaporation method. These films were annealed at 250°C under vacuum. The as-deposited and annealed films were characterized by glancing angle X-Ray diffraction (GAXRD) and atomic force microscopy (AFM), techniques. XRD indicated improvement of crystallinity up to 2 hours of annealing and degradation of the same thereafter. In agreement with XRD result, the grain size distribution histogram obtained from AFM indicated grain growth with annealing time up to 2 hours and saturation or decrease of grain size thereafter. The observed result is explained by the occurrence of two competing phenomena like roughening induced grain growth and smoothening induced inhibition of grain growth with increasing annealing time.

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

Fuel additives and heat treatment effects on nanocrystalline zinc ferrite phase composition

NASA Astrophysics Data System (ADS)

Hu, Ping; Pan, De-an; Wang, Xin-feng; Tian, Jian-jun; Wang, Jian; Zhang, Shen-gen; Volinsky, Alex A.

2011-03-01

Nanocrystalline ZnFe 2O 4 powder was prepared by the auto-combustion method using citric acid, acetic acid, carbamide and acrylic acid as fuel additives. Pure spinel zinc ferrite with the crystallite size of about 15 nm can be obtained by using acrylic acid as fuel additive. Samples prepared using other fuel additives contain ZnO impurities. In order to eliminate ZnO impurities, the sample prepared with citric acid as fuel additive was annealed at different temperatures up to 1000 °C in air and in argon. Annealed powders have pure ZnFe 2O 4 phase when annealing temperature is higher than 650 °C in air. Sample annealed at 650 °C in air is paramagnetic. However, annealed powders become a mixture of Fe 3O 4 and FeO after annealing at 1000 °C in argon atmosphere due to Zn volatility and the reduction reaction.

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.

Influence of low-temperature annealing time on the evolution of the structure and mechanical properties of a titanium Ti-Al-V alloy in the submicrocrystalline state

NASA Astrophysics Data System (ADS)

Ratochka, I. V.; Lykova, O. N.; Naidenkin, E. V.

2015-03-01

The effect of annealing at 673 K for 6-24 h on the structural and phase state and mechanical properties of the titanium alloy of a Ti-Al-V system that was previously subjected to severe plastic deformation by uniform compression deformation, has been studied. It has been established that these annealings lead to a nonmontonic dependence of the mechanical properties of the alloy on the annealing time. It has been shown that the annealing of the Ti-Al-V alloy in a submicrocrystalline state is accompanied by simultaneous hardening processes, i.e., the formation of fine particles during phase transformations and the formation of new nanosized grains, and softening processes, i.e., recovery processes and the growth grains to micron sizes. The prevalence of a given process during annealing determines the deterioration or improvement of the alloy's mechanical properties.

Novel thermal annealing methodology for permanent tuning polymer optical fiber Bragg gratings to longer wavelengths.

PubMed

Pospori, A; Marques, C A F; Sagias, G; Lamela-Rivera, H; Webb, D J

2018-01-22

The Bragg wavelength of a polymer optical fiber Bragg grating can be permanently shifted by utilizing the thermal annealing method. In all the reported fiber annealing cases, the authors were able to tune the Bragg wavelength only to shorter wavelengths, since the polymer fiber shrinks in length during the annealing process. This article demonstrates a novel thermal annealing methodology for permanently tuning polymer optical fiber Bragg gratings to any desirable spectral position, including longer wavelengths. Stretching the polymer optical fiber during the annealing process, the period of Bragg grating, which is directly related with the Bragg wavelength, can become permanently longer. The methodology presented in this article can be used to multiplex polymer optical fiber Bragg gratings at any desirable spectral position utilizing only one phase-mask for their photo-inscription, reducing thus their fabrication cost in an industrial setting.

Thermal annealing of lattice-matched InGaAs/InAlAs Quantum-Cascade Lasers

NASA Astrophysics Data System (ADS)

Mathonnière, Sylvain; Semtsiv, M. P.; Ted Masselink, W.

2017-11-01

We describe the evolution of optical power, threshold current, and emission wavelength of a lattice-matched InGaAs/InAlAs Quantum-Cascade Laser (QCL) emitting at 13 μm grown by gas-source molecular-beam epitaxy under thermal annealing. Pieces from the same 2-in wafer were annealed at 600 °C, 650 °C, or 700 °C for 1 h; one control piece remained unannealed. No change in threshold current and emission wavelength was observed. The slope efficiency and maximum emission power increase for the 600 °C anneal, but higher annealing temperatures resulted in degraded performance. This result stands in contrast with the observation that strain-compensated structures cannot withstand annealing temperature of 600 °C. Useful information for post-growth processing steps and the role of interface roughness in QCL performance are obtained.

Effects of annealing on the structure and magnetic properties of Fe80B20 magnetostrictive fibers.

PubMed

Zhu, Qianke; Zhang, Shuling; Geng, Guihong; Li, Qiushu; Zhang, Kewei; Zhang, Lin

2016-07-04

Fe80B20 amorphous alloys exhibit excellent soft magnetic properties, high abrasive resistance and outstanding corrosion resistance. In this work, Fe80B20 amorphous micro-fibers with HC of 3.33 Oe were firstly fabricated and the effects of annealing temperature on the structure and magnetic properties of the fibers were investigated. In this study, Fe80B20 amorphous fibers were prepared by the single roller melt-spinning method. The structures of as-spun and annealed fibers were investigated by X-ray diffractometer (XRD) (PANalytical X,Pert Power) using Cu Kα radiation. The morphology of the fibers was observed by scanning electron microscopy (SEM) (HITACHI-S4800). Differential scanning calorimetry (DSC) measurements of the fibers were performed on Mettler Toledo TGA/DSC1 device under N2 protection. Vibrating sample magnetometer (VSM, Versalab) was used to examine the magnetic properties of the fibers. The resonance behavior of the fibers was characterized by an impedance analyzer (Agilent 4294A) with a home-made copper coil. The X-ray diffusion (XRD) patterns show that the fibers remain amorphous structure until the annealing temperature reaches 500°C. The differential scanning calorimetry (DSC) results show that the crystallization temperature of the fibers is 449°C. The crystallization activation energy is calculated to be 221 kJ/mol using Kissinger formula. The scanning electron microscopy (SEM) images show that a few dendrites appear at the fiber surface after annealing. The result indicates that the coercivity HC (//) and HC (⊥) slightly increases with increasing annealing temperature until 400°C, and then dramatically increases with further increasing annealing temperature which is due to significant increase in magneto-crystalline anisotropy and magneto-elastic anisotropy. The Q value firstly increases slightly when the annealing temperature rises from room temperature (RT) to 300°C, then decreases until 400°C. Eventually, the value of Q increases to ~2000 at annealing temperature of 500°C. In this study, Fe80B20 amorphous fibers with the diameter of 60 μm were prepared by the single roller melt-spinning method and annealed at 200°C, 300°C, 400°C, and 500°C, respectively. XRD results indicate that the fiber structure remains amorphous when the annealing temperature is below 400°C. α-Fe phase and Fe3B phase appear when the annealing temperature rises to 500°C, which is above the crystallization temperature of 449°C. The recrystallization activation energy is calculated to be 221 kJ/mol. The coercivity increases with increasing annealing temperature, which attributes to the increase of total anisotropy. All the as-spun and annealed fibers exhibit good resonance behavior for magnetostrictive sensors.

A Unit on Deterministic Chaos for Student Teachers

ERIC Educational Resources Information Center

Stavrou, D.; Assimopoulos, S.; Skordoulis, C.

2013-01-01

A unit aiming to introduce pre-service teachers of primary education to the limited predictability of deterministic chaotic systems is presented. The unit is based on a commercial chaotic pendulum system connected with a data acquisition interface. The capabilities and difficulties in understanding the notion of limited predictability of 18…

INTEGRATED PROBABILISTIC AND DETERMINISTIC MODELING TECHNIQUES IN ESTIMATING EXPOSURE TO WATER-BORNE CONTAMINANTS: PART 2 PHARMACOKINETIC MODELING

EPA Science Inventory

The Total Exposure Model (TEM) uses deterministic and stochastic methods to estimate the exposure of a person performing daily activities of eating, drinking, showering, and bathing. There were 250 time histories generated, by subject with activities, for the three exposure ro...

Integrability and Chaos: The Classical Uncertainty

ERIC Educational Resources Information Center

Masoliver, Jaume; Ros, Ana

2011-01-01

In recent years there has been a considerable increase in the publishing of textbooks and monographs covering what was formerly known as random or irregular deterministic motion, now referred to as deterministic chaos. There is still substantial interest in a matter that is included in many graduate and even undergraduate courses on classical…

The development of the deterministic nonlinear PDEs in particle physics to stochastic case

NASA Astrophysics Data System (ADS)

Abdelrahman, Mahmoud A. E.; Sohaly, M. A.

2018-06-01

In the present work, accuracy method called, Riccati-Bernoulli Sub-ODE technique is used for solving the deterministic and stochastic case of the Phi-4 equation and the nonlinear Foam Drainage equation. Also, the control on the randomness input is studied for stability stochastic process solution.

Contemporary Genetics for Gender Researchers: Not Your Grandma's Genetics Anymore

ERIC Educational Resources Information Center

Salk, Rachel H.; Hyde, Janet S.

2012-01-01

Over the past century, much of genetics was deterministic, and feminist researchers framed justified criticisms of genetics research. However, over the past two decades, genetics research has evolved remarkably and has moved far from earlier deterministic approaches. Our article provides a brief primer on modern genetics, emphasizing contemporary…

Technological Utopia, Dystopia and Ambivalence: Teaching with Social Media at a South African University

ERIC Educational Resources Information Center

Rambe, Patient; Nel, Liezel

2015-01-01

The discourse of social media adoption in higher education has often been funnelled through utopian and dystopian perspectives, which are polarised but determinist theorisations of human engagement with educational technologies. Consequently, these determinist approaches have obscured a broadened grasp of the situated, socially constructed nature…

The effect of annealing ambient on the characteristics of an indium-gallium-zinc oxide thin film transistor.

PubMed

Park, Soyeon; Bang, Seokhwan; Lee, Seungjun; Park, Joohyun; Ko, Youngbin; Jeon, Hyeongtag

2011-07-01

In this study, the effects of different annealing conditions (air, O2, N2, vacuum) on the chemical and electrical characteristics of amorphous indium-gallium-zinc oxide (a-IGZO) thin film transistors (TFT) were investigated. The contact resistance and interface properties between the IGZO film and the gate dielectric improved after an annealing treatment. However, the chemical bonds in the IGZO bulk changed under various annealing atmospheres, which, in turn, altered the characteristics of the TFTs. The TFTs annealed in vacuum and N2 ambients exhibited undesired switching properties due to the high carrier concentration (>10(17) cm(-3)) of the IGZO active layer. In contrast, the IGZO TFTs annealed in air and oxygen ambients displayed clear transfer characteristics due to an adequately adjusted carrier concentration in the operating range of the TFT. Such an optimal carrier concentration arose through the stabilization of unstable chemical bonds in the IGZO film. With regard to device performance, the TFTs annealed in O2 and air exhibited saturation mobility values of 8.29 and 7.54 cm2/Vs, on-off ratios of 7.34 x 10(8) and 3.95 x 10(8), and subthreshold swing (SS) values of 0.23 and 0.19 V/decade, respectively. Therefore, proper annealing ambients contributed to internal modifications in the IGZO structure and led to an enhancement in the oxidation state of the metal. As a result, defects such as oxygen vacancies were eliminated. Oxygen annealing is thus effective for controlling the carrier concentration of the active layer, decreasing electron traps, and enhancing TFT performance.

Crystallization to polycrystalline silicon thin film and simultaneous inactivation of electrical defects by underwater laser annealing

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

Machida, Emi; Research Fellowships of the Japan Society for the Promotion of Science, Japan Society for the Promotion of Science, 1-8 Chiyoda, Tokyo 102-8472; Horita, Masahiro

2012-12-17

We propose a low-temperature laser annealing method of a underwater laser annealing (WLA) for polycrystalline silicon (poly-Si) films. We performed crystallization to poly-Si films by laser irradiation in flowing deionized-water where KrF excimer laser was used for annealing. We demonstrated that the maximum value of maximum grain size of WLA samples was 1.5 {mu}m, and that of the average grain size was 2.8 times larger than that of conventional laser annealing in air (LA) samples. Moreover, WLA forms poly-Si films which show lower conductivity and larger carrier life time attributed to fewer electrical defects as compared to LA poly-Si films.

Control of optical properties of YAG crystals by thermal annealing

NASA Astrophysics Data System (ADS)

Tkachenko, S.; Arhipov, P.; Gerasymov, I.; Kurtsev, D.; Vasyukov, S.; Nesterkina, V.; Shiran, N.; Mateichenko, P.; Sidletskiy, O.

2018-02-01

Optical properties of YAG crystals grown and annealed under different atmosphere conditions have been compared. Simultaneously we have registered the surface composition of crystals and content of basic admixtures in the crystals grown under the reducing conditions. Unlike YAG grown under weakly oxidizing conditions in Ir crucibles and bleached under oxidizing annealing, YAGMo crystals grown in Mo crucibles under reducing Ar + CO atmosphere can be bleached by both oxidizing and reducing thermal annealing. The bleaching of YAGMo is not reversed by further annealing under any available conditions. Mechanisms of this phenomenon have been discussed, including a possible role of admixtures in elimination of color centers in YAG grown under the reducing conditions.

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.

Activation of acceptor levels in Mn implanted Si by pulsed laser annealing

NASA Astrophysics Data System (ADS)

Li, Lin; Bürger, Danilo; Shalimov, Artem; Kovacs, Gy J.; Schmidt, Heidemarie; Zhou, Shengqiang

2018-04-01

In this paper, we report the magnetic and electrical properties of Mn implanted nearly intrinsic Si wafers after subsecond thermal treatment. Activation of acceptors is realized in pulsed laser annealing (PLA) films with a free hole concentration of 6.29  ×  1020 cm‑3 while the sample annealed by rapid thermal annealing (RTA) shows n-type conductivity with a much smaller free electron concentration in the order of 1015 cm‑3. Ferromagnetism is probed for all films by a SQUID magnetometer at low temperatures. The formation of ferromagnetic MnSi1.7 nanoparticles which was proven in RTA films can be excluded in Mn implanted Si annealed by PLA.

Investigation of the thermal annealing effect on electrical properties of Ni/Au, Ni/Mo/Au and Mo/Au Schottky barriers on AlGaN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Sleptsov, E. V.; Chernykh, A. V.; Chernykh, S. V.; Dorofeev, A. A.; Gladysheva, N. B.; Kondakov, M. N.; Sleptsova, A. A.; Panichkin, A. V.; Konovalov, M. P.; Didenko, S. I.

2017-03-01

Investigation of the thermal annealing effect on Schottky barrier parameters and the leakage current of Ni/Au, Ni/Mo/Au and Mo/Au Schottky barriers on AlGaN/GaN heterostructures has been performed. Improvement of Schottky barrier parameters after annealing of the investigated metallization schemes was observed. Ni/Au and Mo/Au contacts drastically degrade after annealing at the temperatures higher than 400 °C, whereas the Ni/Mo/Au contact exhibits excellent parameters after 500 °C annealing (qϕb = 1.00 eV, n = 1.13 и Ileak = 5 μA).

Performance of quantum annealing on random Ising problems implemented using the D-Wave Two

NASA Astrophysics Data System (ADS)

Wang, Zhihui; Job, Joshua; Rønnow, Troels F.; Troyer, Matthias; Lidar, Daniel A.; USC Collaboration; ETH Collaboration

2014-03-01

Detecting a possible speedup of quantum annealing compared to classical algorithms is a pressing task in experimental adiabatic quantum computing. In this talk, we discuss the performance of the D-Wave Two quantum annealing device on Ising spin glass problems. The expected time to solution for the device to solve random instances with up to 503 spins and with specified coupling ranges is evaluated while carefully addressing the issue of statistical errors. We perform a systematic comparison of the expected time to solution between the D-Wave Two and classical stochastic solvers, specifically simulated annealing, and simulated quantum annealing based on quantum Monte Carlo, and discuss the question of speedup.

Coherent Coupled Qubits for Quantum Annealing

NASA Astrophysics Data System (ADS)

Weber, Steven J.; Samach, Gabriel O.; Hover, David; Gustavsson, Simon; Kim, David K.; Melville, Alexander; Rosenberg, Danna; Sears, Adam P.; Yan, Fei; Yoder, Jonilyn L.; Oliver, William D.; Kerman, Andrew J.

2017-07-01

Quantum annealing is an optimization technique which potentially leverages quantum tunneling to enhance computational performance. Existing quantum annealers use superconducting flux qubits with short coherence times limited primarily by the use of large persistent currents Ip. Here, we examine an alternative approach using qubits with smaller Ip and longer coherence times. We demonstrate tunable coupling, a basic building block for quantum annealing, between two flux qubits with small (approximately 50-nA) persistent currents. Furthermore, we characterize qubit coherence as a function of coupler setting and investigate the effect of flux noise in the coupler loop on qubit coherence. Our results provide insight into the available design space for next-generation quantum annealers with improved coherence.

Growth of Ni-Al alloys on Ni(1 1 1), from Al deposits of various thicknesses: (II) Formation of NiAl over a Ni 3Al interfacial layer

NASA Astrophysics Data System (ADS)

Le Pévédic, S.; Schmaus, D.; Cohen, C.

2007-01-01

This paper describes the second part of a study devoted to the growth of thin Ni-Al alloys after deposition of Al on Ni(1 1 1). In the previous paper [S. Le Pévédic, D. Schmaus, C. Cohen, Surf. Sci. 600 (2006) 565] we have described the results obtained for ultra-thin Al deposits, leading, after annealing at 750 K, to an epitaxial layer of Ni 3Al(1 1 1). In the present paper we show that this regime is only observed for Al deposits smaller than 8 × 10 15 Al/cm 2 and we describe the results obtained for Al deposits exceeding this critical thickness, up to 200 × 10 15 Al/cm 2. Al deposition was performed at low temperature (around 130 K) and the alloying process was followed in situ during subsequent annealing, by Auger electron spectroscopy, low energy electron diffraction and ion beam analysis-channeling measurements, in an ultra-high vacuum chamber connected to a Van de Graaff accelerator. We evidence the formation, after annealing at 750 K, of a crystallographically and chemically well-ordered NiAl(1 1 0) layer (whose thickness depends on the deposited Al amount), over a Ni 3Al "interfacial" layer (whose thickness—about 18 (1 1 1) planes—is independent of the deposited Al amount). The NiAl overlayer is composed of three variants, at 120° from each other in the surface plane, in relation with the respective symmetries of NiAl(1 1 0) and Ni 3Al(1 1 1). The NiAl layer is relaxed (the lattice parameters of cc-B2 NiAl and fcc-L1 2 Ni 3Al differ markedly), and we have determined its epitaxial relationship. In the case of the thickest alloyed layer formed the results concerning the structure of the NiAl layer have been confirmed and refined by ex situ X-ray diffraction and information on its grain size has been obtained by ex situ Atomic Force Microscopy. The kinetics of the alloying process is complex. It corresponds to an heterogeneous growth leading, above the thin Ni 3Al interfacial layer, to a mixture of Al and NiAl over the whole Al film, up to the surface. The atomic diffusion is very limited in the NiAl phase that forms, and thus the progressive enrichment in Ni of the Al film, i.e. of the mean Ni concentration, becomes slower and slower. As a consequence, alloying is observed to take place in a very broad temperature range between 300 K and 700 K. For annealing temperatures above 800 K, the alloyed layer is decomposed, Al atoms diffusing in the bulk of the substrate.

Impact of annealing on physical properties of e-beam evaporated polycrystalline CdO thin films for optoelectronic applications

NASA Astrophysics Data System (ADS)

Purohit, Anuradha; Chander, S.; Dhaka, M. S.

2017-04-01

An impact of annealing on the physical properties of polycrystalline CdO thin films is carried out in this study. CdO thin films of thickness 650 nm were fabricated on glass and indium tin oxide (ITO) substrates employing e-beam evaporation technique. The pristine thin films were annealed in air atmosphere at 250 °C, 400 °C and 550 °C for one hour followed by investigation of structural, optical, electrical and morphological properties along with elemental composition using X-ray diffraction (XRD), UV-Vis spectrophotometer, Fourier transform infrared (FTIR) spectrometer, source meter, scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), respectively. XRD patterns confirmed the polycrystalline nature and cubic structure (with space group Fm 3 bar m) of the films. The crystallographic parameters are calculated and found to be influenced by the post-air annealing treatment. The optical study shows that direct band gap is ranging from 1.98 eV to 2.18 eV and found to be decreased with post-annealing. The refractive index and optical conductivity are also increased with annealing temperature. The current-voltage characteristics show ohmic behaviour of the annealed films. The surface morphology is observed to be improved with annealing and grain-size is increased as well as EDS spectrum confirmed the presence of cadmium (Cd) and oxygen (O) in the deposited films.

Microstructural evolution during thermal annealing of ice-Ih

NASA Astrophysics Data System (ADS)

Hidas, Károly; Tommasi, Andréa; Mainprice, David; Chauve, Thomas; Barou, Fabrice; Montagnat, Maurine

2017-06-01

We studied the evolution of the microstructure of ice-Ih during static recrystallization by stepwise annealing experiments. We alternated thermal annealing and electron backscatter diffraction (EBSD) analyses on polycrystalline columnar ice pre-deformed in uniaxial compression at temperature of -7 °C to macroscopic strains of 3.0-5.2. Annealing experiments were carried out at -5 °C and -2 °C up to a maximum of 3.25 days, typically in 5-6 steps. EBSD crystal orientation maps obtained after each annealing step permit the description of microstructural changes. Decrease in average intragranular misorientation at the sample scale and modification of the misorientation across subgrain boundaries provide evidence for recovery from the earliest stages of annealing. This initial evolution is similar for all studied samples irrespective of their initial strain or annealing temperature. After an incubation period ≥1.5 h, recovery is accompanied by recrystallization (nucleation and grain boundary migration). Grain growth proceeds at the expense of domains with high intragranular misorientations, consuming first the most misorientated parts of primary grains. Grain growth kinetics fits the parabolic growth law with grain growth exponents in the range of 2.4-4.0. Deformation-induced tilt boundaries and kink bands may slow down grain boundary migration. They are stable features during early stages of static recrystallization, only erased by normal growth, which starts after >24 h of annealing.

Influence of annealing temperature on the structural, optical and electrical properties of amorphous Zinc Sulfide thin films

NASA Astrophysics Data System (ADS)

Göde, F.; Güneri, E.; Kariper, A.; Ulutaş, C.; Kirmizigül, F.; Gümüş, C.

2011-11-01

Zinc sulfide films have been deposited on glass substrates at room temperature by the chemical bath deposition technique. The growth mechanism is studied using X-ray diffraction, scanning electron microscopy, optical absorption spectra and electrical measurements. The as-deposited film was given thermal annealing treatment in air atmosphere at various temperatures (100, 200, 300 400 and 500 °C) for 1 h. The annealed film was also characterized by structural, optical and electrical studies. The structural analyses revealed that the as-deposited film was amorphous, but after being annealed at 500 °C, it changed to polycrystalline. The optical band gap is direct with a value of 4.01 eV, but this value decreased to 3.74 eV with annealing temperature, except for the 500 °C anneal where it only decreased to 3.82 eV. The refractive index (n), extinction coefficient (k), and real (ɛ1) and imaginary (ɛ2) parts of the dielectric constant are evaluated. Raman peaks appearing at ~478 cm-1, ~546 cm-1, ~778 cm-1 and ~1082 cm-1 for the annealed film (500 °C) were attributed to [TOl+LAΣ, 2TOΓ, 2LO, 3LO phonons of ZnS. The electrical conductivities of both as-deposited and annealed films have been calculated to be of the order of ~10-10 (Ω cm)-1 .

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

Study of grain structure evolution during annealing of a twin-roll-cast Mg alloy

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

Tripathi, A.; Department of Metallurgical Engineering and Materials Science, IIT Bombay; Department of Materials Engineering, Monash University

2016-04-15

The evolution of microstructure under static annealing was studied for mid-thickness section of a twin-roll-cast (TRC) magnesium alloy. Annealing was performed at 300 °C and 500 °C for different times. Microstructural evolution was quantitatively analyzed, from optical micrographs, using grain path envelope analysis. Additional information from electron backscatter diffraction (EBSD) was used for addressing the possible mechanism(s). It was found that the TRC structure had a bimodal grain size, which was preserved even after annealing at 300 °C. However, the annealing at 500 °C led to a unimodal grain size. This difference in the grain size distribution created a contrastingmore » behavior in the normalized standard deviations. This was primarily attributed to a competition between recovery and recrystallization, and their respective dominance at 300° and 500 °C. A deformation induced recrystallization recovery (DIRR) model was proposed. The proposed model could successfully address the experimental microstructural evolution. - Highlights: • Annealing of twin roll cast (TRC) magnesium alloy was done at temperatures of 300 °C and 500 °C. • TRC had bimodal structure. Bimodality preserved for annealing at 300 °C. Annealing at 500 °C led to unimodal structure. • Grain evolution was described based on the competition between recovery and recrystallization. • Deformation induced recrystallization recovery (DIRR) mechanistic model was developed.« less

Annealing to optimize the primary drying rate, reduce freezing-induced drying rate heterogeneity, and determine T(g)' in pharmaceutical lyophilization.

PubMed

Searles, J A; Carpenter, J F; Randolph, T W

2001-07-01

In a companion paper we show that the freezing of samples in vials by shelf-ramp freezing results in significant primary drying rate heterogeneity because of a dependence of the ice crystal size on the nucleation temperature during freezing.1 The purpose of this study was to test the hypothesis that post-freezing annealing, in which the product is held at a predetermined temperature for a specified duration, can reduce freezing-induced heterogeneity in sublimation rates. In addition, we test the impact of annealing on primary drying rates. Finally, we use the kinetics of relaxations during annealing to provide a simple measurement of T(g)', the glass transition temperature of the maximally freeze-concentrated amorphous phase, under conditions and time scales most appropriate for industrial lyophilization cycles. Aqueous solutions of hydroxyethyl starch (HES), sucrose, and HES:sucrose were either frozen by placement on a shelf while the temperature was reduced ("shelf-ramp frozen") or by immersion into liquid nitrogen. Samples were then annealed for various durations over a range of temperatures and partially lyophilized to determine the primary drying rate. The morphology of fully dried liquid nitrogen-frozen samples was examined using scanning electron microscopy. Annealing reduced primary drying rate heterogeneity for shelf-ramp frozen samples, and resulted in up to 3.5-fold increases in the primary drying rate. These effects were due to increased ice crystal sizes, simplified amorphous structures, and larger and more numerous holes on the cake surface of annealed samples. Annealed HES samples dissolved slightly faster than their unannealed counterparts. Annealing below T(g)' did not result in increased drying rates. We present a simple new annealing-lyophilization method of T(g)' determination that exploits this phenomenon. It can be carried out with a balance and a freeze-dryer, and has the additional advantage that a large number of candidate formulations can be evaluated simultaneously.

Effects of thermal annealing on the structural and optical properties of carbon-implanted SiO2.

PubMed

Poudel, P R; Paramo, J A; Poudel, P P; Diercks, D R; Strzhemechny, Y M; Rout, B; McDaniel, F D

2012-03-01

Amorphous carbon (a-C) nanoclusters were synthesized by the implantation of carbon ions (C-) into thermally grown silicon dioxide film (-500 nm thick) on a Si (100) wafer and processed by high temperature thermal annealing. The carbon ions were implanted with an energy of 70 keV at a fluence of 5 x 10(17) atoms/cm2. The implanted samples were annealed at 1100 degrees C for different time periods in a gas mixture of 96% Ar+4% H2. Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and High Resolution Transmission Electron Microscopy (HRTEM) were used to study the structural properties of both the as-implanted and annealed samples. HRTEM reveals the formation of nanostructures in the annealed samples. The Raman spectroscopy also confirms the formation of carbon nano-clusters in the samples annealed for 10 min, 30 min, 60 min and 90 min. No Raman features originating from the carbon-clusters are observed for the sample annealed further to 120 min, indicating a complete loss of implanted carbon from the SiO2 layer. The loss of the implanted carbon in the 120 min annealed sample from the SiO2 layer was also observed in the XPS depth profile measurements. Room temperature photoluminescence (PL) spectroscopy revealed visible emissions from the samples pointing to carbon ion induced defects as the origin of a broad 2.0-2.4 eV band, and the intrinsic defects in SiO2 as the possible origin of the -2.9 eV bands. In low temperature photoluminescence spectra, two sharp and intense photoluminescence lines at -3.31 eV and -3.34 eV appear for the samples annealed for 90 min and 120 min, whereas no such bands are observed in the samples annealed for 10 min, 30 min, and 60 min. The Si nano-clusters forming at the Si-SiO2 interface could be the origin of these intense peaks.

Evolution of Structural and Optical Properties of ZnO Nanorods Grown on Vacuum Annealed Seed Crystallites

PubMed Central

Khan, Fasihullah; Ajmal, Hafiz Muhammad Salman; Huda, Noor Ul; Kim, Ji Hyun; Kim, Sam-Dong

2018-01-01

In this study, the ambient condition for the as-coated seed layer (SL) annealing at 350 °C is varied from air or nitrogen to vacuum to examine the evolution of structural and optical properties of ZnO nanorods (NRs). The NR crystals of high surface density (~240 rods/μm2) and aspect ratio (~20.3) show greatly enhanced (002) degree of orientation and crystalline quality, when grown on the SLs annealed in vacuum, compared to those annealed in air or nitrogen ambient. This is due to the vacuum-annealed SL crystals of a highly preferred orientation toward (002) and large grain sizes. X-ray photoelectron spectroscopy also reveals that the highest O/Zn atomic ratio of 0.89 is obtained in the case of vacuum-annealed SL crystals, which is due to the effective desorption of hydroxyl groups and other contaminants adsorbed on the surface formed during aqueous solution-based growth process. Near band edge emission (ultra violet range of 360–400 nm) of the vacuum-annealed SLs is also enhanced by 44% and 33% as compared to those annealed in air and nitrogen ambient, respectively, in photoluminescence with significant suppression of visible light emission associated with deep level transition. Due to this improvement of SL optical crystalline quality, the NR crystals grown on the vacuum-annealed SLs produce ~3 times higher ultra violet emission intensity than the other samples. In summary, it is shown that the ZnO NRs preferentially grow along the wurtzite c-axis direction, thereby producing the high crystalline quality of nanostructures when they grow on the vacuum-annealed SLs of high crystalline quality with minimized impurities and excellent preferred orientation. The ZnO nanostructures of high crystalline quality achieved in this study can be utilized for a wide range of potential device applications such as laser diodes, light-emitting diodes, piezoelectric transducers and generators, gas sensors, and ultraviolet detectors. PMID:29373523

Nanocrystalline Cs{sub x}WO{sub 3} particles: Effects of N{sub 2} annealing on microstructure and near-infrared shielding characteristics

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

Liu, Jing-Xiao, E-mail: drliu-shi@dlpu.edu.cn; Institute of Multidisciplinary Research for Advanced Material, Tohoku University, Sendai, 980-8577,Japan; Shi, Fei

2013-10-15

In order to further improve the near-infrared shielding properties of cesium tungsten bronze (Cs{sub x}WO{sub 3}) for solar filter applications, Cs{sub x}WO{sub 3} particles were prepared by solvothermal reaction method and the effects of nitrogen annealing on the microstructure and near-infrared shielding properties of Cs{sub x}WO{sub 3} were investigated. The obtained Cs{sub x}WO{sub 3} samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and spectrophotometer. The results indicate that nanosheet-like Cs{sub x}WO{sub 3} particles with hexagonal structure began to transform into nanorods after annealed at temperature higher than 600 °C. The near-infrared shielding propertiesmore » of Cs{sub x}WO{sub 3} particles could be further improved by N{sub 2} annealing at 500–700 °C. Particularly, the 500 °C-annealed Cs{sub x}WO{sub 3} samples in the N{sub 2} atmosphere showed best near-infrared shielding properties. It was suggested that the excellent near-infrared shielding ability of the 500 °C-annealed Cs{sub x}WO{sub 3} samples is correlated with its minimum O/W atomic ratio and most oxygen vacancies. Highlights: • N{sub 2} annealing could further improve the near-infrared (NIR) shielding of Cs{sub x}WO{sub 3}. • Effects of N{sub 2} annealing on microstructure and NIR shielding of Cs{sub x}WO{sub 3} were studied. • The 500 °C-N{sub 2}-annealed Cs{sub x}WO{sub 3} exhibited minimum O/W ratio and most oxygen vacancies. • The 500 °C-N{sub 2}-annealed Cs{sub x}WO{sub 3} particles exhibited best NIR shielding properties.« less

Deterministic chaos in an ytterbium-doped mode-locked fiber laser

NASA Astrophysics Data System (ADS)

Mélo, Lucas B. A.; Palacios, Guillermo F. R.; Carelli, Pedro V.; Acioli, Lúcio H.; Rios Leite, José R.; de Miranda, Marcio H. G.

2018-05-01

We experimentally study the nonlinear dynamics of a femtosecond ytterbium doped mode-locked fiber laser. With the laser operating in the pulsed regime a route to chaos is presented, starting from stable mode-locking, period two, period four, chaos and period three regimes. Return maps and bifurcation diagrams were extracted from time series for each regime. The analysis of the time series with the laser operating in the quasi mode-locked regime presents deterministic chaos described by an unidimensional Rossler map. A positive Lyapunov exponent $\\lambda = 0.14$ confirms the deterministic chaos of the system. We suggest an explanation about the observed map by relating gain saturation and intra-cavity loss.

The viability of ADVANTG deterministic method for synthetic radiography generation

NASA Astrophysics Data System (ADS)

Bingham, Andrew; Lee, Hyoung K.

2018-07-01

Fast simulation techniques to generate synthetic radiographic images of high resolution are helpful when new radiation imaging systems are designed. However, the standard stochastic approach requires lengthy run time with poorer statistics at higher resolution. The investigation of the viability of a deterministic approach to synthetic radiography image generation was explored. The aim was to analyze a computational time decrease over the stochastic method. ADVANTG was compared to MCNP in multiple scenarios including a small radiography system prototype, to simulate high resolution radiography images. By using ADVANTG deterministic code to simulate radiography images the computational time was found to decrease 10 to 13 times compared to the MCNP stochastic approach while retaining image quality.

Stochastic dynamics and combinatorial optimization

NASA Astrophysics Data System (ADS)

Ovchinnikov, Igor V.; Wang, Kang L.

2017-11-01

Natural dynamics is often dominated by sudden nonlinear processes such as neuroavalanches, gamma-ray bursts, solar flares, etc., that exhibit scale-free statistics much in the spirit of the logarithmic Ritcher scale for earthquake magnitudes. On phase diagrams, stochastic dynamical systems (DSs) exhibiting this type of dynamics belong to the finite-width phase (N-phase for brevity) that precedes ordinary chaotic behavior and that is known under such names as noise-induced chaos, self-organized criticality, dynamical complexity, etc. Within the recently proposed supersymmetric theory of stochastic dynamics, the N-phase can be roughly interpreted as the noise-induced “overlap” between integrable and chaotic deterministic dynamics. As a result, the N-phase dynamics inherits the properties of the both. Here, we analyze this unique set of properties and conclude that the N-phase DSs must naturally be the most efficient optimizers: on one hand, N-phase DSs have integrable flows with well-defined attractors that can be associated with candidate solutions and, on the other hand, the noise-induced attractor-to-attractor dynamics in the N-phase is effectively chaotic or aperiodic so that a DS must avoid revisiting solutions/attractors thus accelerating the search for the best solution. Based on this understanding, we propose a method for stochastic dynamical optimization using the N-phase DSs. This method can be viewed as a hybrid of the simulated and chaotic annealing methods. Our proposition can result in a new generation of hardware devices for efficient solution of various search and/or combinatorial optimization problems.

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.