WorldWideScience

Sample records for k-mer spectra models

  1. Enhanced regulatory sequence prediction using gapped k-mer features.

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    Ghandi, Mahmoud; Lee, Dongwon; Mohammad-Noori, Morteza; Beer, Michael A

    2014-07-01

    Oligomers of length k, or k-mers, are convenient and widely used features for modeling the properties and functions of DNA and protein sequences. However, k-mers suffer from the inherent limitation that if the parameter k is increased to resolve longer features, the probability of observing any specific k-mer becomes very small, and k-mer counts approach a binary variable, with most k-mers absent and a few present once. Thus, any statistical learning approach using k-mers as features becomes susceptible to noisy training set k-mer frequencies once k becomes large. To address this problem, we introduce alternative feature sets using gapped k-mers, a new classifier, gkm-SVM, and a general method for robust estimation of k-mer frequencies. To make the method applicable to large-scale genome wide applications, we develop an efficient tree data structure for computing the kernel matrix. We show that compared to our original kmer-SVM and alternative approaches, our gkm-SVM predicts functional genomic regulatory elements and tissue specific enhancers with significantly improved accuracy, increasing the precision by up to a factor of two. We then show that gkm-SVM consistently outperforms kmer-SVM on human ENCODE ChIP-seq datasets, and further demonstrate the general utility of our method using a Naïve-Bayes classifier. Although developed for regulatory sequence analysis, these methods can be applied to any sequence classification problem.

  2. Enhanced regulatory sequence prediction using gapped k-mer features.

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    Mahmoud Ghandi

    2014-07-01

    Full Text Available Oligomers of length k, or k-mers, are convenient and widely used features for modeling the properties and functions of DNA and protein sequences. However, k-mers suffer from the inherent limitation that if the parameter k is increased to resolve longer features, the probability of observing any specific k-mer becomes very small, and k-mer counts approach a binary variable, with most k-mers absent and a few present once. Thus, any statistical learning approach using k-mers as features becomes susceptible to noisy training set k-mer frequencies once k becomes large. To address this problem, we introduce alternative feature sets using gapped k-mers, a new classifier, gkm-SVM, and a general method for robust estimation of k-mer frequencies. To make the method applicable to large-scale genome wide applications, we develop an efficient tree data structure for computing the kernel matrix. We show that compared to our original kmer-SVM and alternative approaches, our gkm-SVM predicts functional genomic regulatory elements and tissue specific enhancers with significantly improved accuracy, increasing the precision by up to a factor of two. We then show that gkm-SVM consistently outperforms kmer-SVM on human ENCODE ChIP-seq datasets, and further demonstrate the general utility of our method using a Naïve-Bayes classifier. Although developed for regulatory sequence analysis, these methods can be applied to any sequence classification problem.

  3. Statistically Consistent k-mer Methods for Phylogenetic Tree Reconstruction.

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    Allman, Elizabeth S; Rhodes, John A; Sullivant, Seth

    2017-02-01

    Frequencies of k-mers in sequences are sometimes used as a basis for inferring phylogenetic trees without first obtaining a multiple sequence alignment. We show that a standard approach of using the squared Euclidean distance between k-mer vectors to approximate a tree metric can be statistically inconsistent. To remedy this, we derive model-based distance corrections for orthologous sequences without gaps, which lead to consistent tree inference. The identifiability of model parameters from k-mer frequencies is also studied. Finally, we report simulations showing that the corrected distance outperforms many other k-mer methods, even when sequences are generated with an insertion and deletion process. These results have implications for multiple sequence alignment as well since k-mer methods are usually the first step in constructing a guide tree for such algorithms.

  4. Robust k-mer frequency estimation using gapped k-mers.

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    Ghandi, Mahmoud; Mohammad-Noori, Morteza; Beer, Michael A

    2014-08-01

    Oligomers of fixed length, k, commonly known as k-mers, are often used as fundamental elements in the description of DNA sequence features of diverse biological function, or as intermediate elements in the constuction of more complex descriptors of sequence features such as position weight matrices. k-mers are very useful as general sequence features because they constitute a complete and unbiased feature set, and do not require parameterization based on incomplete knowledge of biological mechanisms. However, a fundamental limitation in the use of k-mers as sequence features is that as k is increased, larger spatial correlations in DNA sequence elements can be described, but the frequency of observing any specific k-mer becomes very small, and rapidly approaches a sparse matrix of binary counts. Thus any statistical learning approach using k-mers will be susceptible to noisy estimation of k-mer frequencies once k becomes large. Because all molecular DNA interactions have limited spatial extent, gapped k-mers often carry the relevant biological signal. Here we use gapped k-mer counts to more robustly estimate the ungapped k-mer frequencies, by deriving an equation for the minimum norm estimate of k-mer frequencies given an observed set of gapped k-mer frequencies. We demonstrate that this approach provides a more accurate estimate of the k-mer frequencies in real biological sequences using a sample of CTCF binding sites in the human genome.

  5. Chromatin accessibility prediction via convolutional long short-term memory networks with k-mer embedding.

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    Min, Xu; Zeng, Wanwen; Chen, Ning; Chen, Ting; Jiang, Rui

    2017-07-15

    Experimental techniques for measuring chromatin accessibility are expensive and time consuming, appealing for the development of computational approaches to predict open chromatin regions from DNA sequences. Along this direction, existing methods fall into two classes: one based on handcrafted k -mer features and the other based on convolutional neural networks. Although both categories have shown good performance in specific applications thus far, there still lacks a comprehensive framework to integrate useful k -mer co-occurrence information with recent advances in deep learning. We fill this gap by addressing the problem of chromatin accessibility prediction with a convolutional Long Short-Term Memory (LSTM) network with k -mer embedding. We first split DNA sequences into k -mers and pre-train k -mer embedding vectors based on the co-occurrence matrix of k -mers by using an unsupervised representation learning approach. We then construct a supervised deep learning architecture comprised of an embedding layer, three convolutional layers and a Bidirectional LSTM (BLSTM) layer for feature learning and classification. We demonstrate that our method gains high-quality fixed-length features from variable-length sequences and consistently outperforms baseline methods. We show that k -mer embedding can effectively enhance model performance by exploring different embedding strategies. We also prove the efficacy of both the convolution and the BLSTM layers by comparing two variations of the network architecture. We confirm the robustness of our model to hyper-parameters by performing sensitivity analysis. We hope our method can eventually reinforce our understanding of employing deep learning in genomic studies and shed light on research regarding mechanisms of chromatin accessibility. The source code can be downloaded from https://github.com/minxueric/ismb2017_lstm . tingchen@tsinghua.edu.cn or ruijiang@tsinghua.edu.cn. Supplementary materials are available at

  6. De Novo Assembly of Complete Chloroplast Genomes from Non-model Species Based on a K-mer Frequency-Based Selection of Chloroplast Reads from Total DNA Sequences

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    Shairul Izan

    2017-08-01

    Full Text Available Whole Genome Shotgun (WGS sequences of plant species often contain an abundance of reads that are derived from the chloroplast genome. Up to now these reads have generally been identified and assembled into chloroplast genomes based on homology to chloroplasts from related species. This re-sequencing approach may select against structural differences between the genomes especially in non-model species for which no close relatives have been sequenced before. The alternative approach is to de novo assemble the chloroplast genome from total genomic DNA sequences. In this study, we used k-mer frequency tables to identify and extract the chloroplast reads from the WGS reads and assemble these using a highly integrated and automated custom pipeline. Our strategy includes steps aimed at optimizing assemblies and filling gaps which are left due to coverage variation in the WGS dataset. We have successfully de novo assembled three complete chloroplast genomes from plant species with a range of nuclear genome sizes to demonstrate the universality of our approach: Solanum lycopersicum (0.9 Gb, Aegilops tauschii (4 Gb and Paphiopedilum henryanum (25 Gb. We also highlight the need to optimize the choice of k and the amount of data used. This new and cost-effective method for de novo short read assembly will facilitate the study of complete chloroplast genomes with more accurate analyses and inferences, especially in non-model plant genomes.

  7. K-mer Content, Correlation, and Position Analysis of Genome DNA Sequences for the Identification of Function and Evolutionary Features

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    Aaron Sievers

    2017-04-01

    Full Text Available In genome analysis, k-mer-based comparison methods have become standard tools. However, even though they are able to deliver reliable results, other algorithms seem to work better in some cases. To improve k-mer-based DNA sequence analysis and comparison, we successfully checked whether adding positional resolution is beneficial for finding and/or comparing interesting organizational structures. A simple but efficient algorithm for extracting and saving local k-mer spectra (frequency distribution of k-mers was developed and used. The results were analyzed by including positional information based on visualizations as genomic maps and by applying basic vector correlation methods. This analysis was concentrated on small word lengths (1 ≤ k ≤ 4 on relatively small viral genomes of Papillomaviridae and Herpesviridae, while also checking its usability for larger sequences, namely human chromosome 2 and the homologous chromosomes (2A, 2B of a chimpanzee. Using this alignment-free analysis, several regions with specific characteristics in Papillomaviridae and Herpesviridae formerly identified by independent, mostly alignment-based methods, were confirmed. Correlations between the k-mer content and several genes in these genomes have been found, showing similarities between classified and unclassified viruses, which may be potentially useful for further taxonomic research. Furthermore, unknown k-mer correlations in the genomes of Human Herpesviruses (HHVs, which are probably of major biological function, are found and described. Using the chromosomes of a chimpanzee and human that are currently known, identities between the species on every analyzed chromosome were reproduced. This demonstrates the feasibility of our approach for large data sets of complex genomes. Based on these results, we suggest k-mer analysis with positional resolution as a method for closing a gap between the effectiveness of alignment-based methods (like NCBI BLAST and the

  8. Cutoffs and k-mers: implications from a transcriptome study in allopolyploid plants

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    Gruenheit Nicole

    2012-03-01

    Full Text Available Abstract Background Transcriptome analysis is increasingly being used to study the evolutionary origins and ecology of non-model plants. One issue for both transcriptome assembly and differential gene expression analyses is the common occurrence in plants of hybridisation and whole genome duplication (WGD and hybridization resulting in allopolyploidy. The divergence of duplicated genes following WGD creates near identical homeologues that can be problematic for de novo assembly and also reference based assembly protocols that use short reads (35 - 100 bp. Results Here we report a successful strategy for the assembly of two transcriptomes made using 75 bp Illumina reads from Pachycladon fastigiatum and Pachycladon cheesemanii. Both are allopolyploid plant species (2n = 20 that originated in the New Zealand Alps about 0.8 million years ago. In a systematic analysis of 19 different coverage cutoffs and 20 different k-mer sizes we showed that i none of the genes could be assembled across all of the parameter space ii assembly of each gene required an optimal set of parameter values and iii these parameter values could be explained in part by different gene expression levels and different degrees of similarity between genes. Conclusions To obtain optimal transcriptome assemblies for allopolyploid plants, k-mer size and k-mer coverage need to be considered simultaneously across a broad parameter space. This is important for assembling a maximum number of full length ESTs and for avoiding chimeric assemblies of homeologous and paralogous gene copies.

  9. Multiple comparative metagenomics using multiset k-mer counting

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    Gaëtan Benoit

    2016-11-01

    Full Text Available Background Large scale metagenomic projects aim to extract biodiversity knowledge between different environmental conditions. Current methods for comparing microbial communities face important limitations. Those based on taxonomical or functional assignation rely on a small subset of the sequences that can be associated to known organisms. On the other hand, de novo methods, that compare the whole sets of sequences, either do not scale up on ambitious metagenomic projects or do not provide precise and exhaustive results. Methods These limitations motivated the development of a new de novo metagenomic comparative method, called Simka. This method computes a large collection of standard ecological distances by replacing species counts by k-mer counts. Simka scales-up today’s metagenomic projects thanks to a new parallel k-mer counting strategy on multiple datasets. Results Experiments on public Human Microbiome Project datasets demonstrate that Simka captures the essential underlying biological structure. Simka was able to compute in a few hours both qualitative and quantitative ecological distances on hundreds of metagenomic samples (690 samples, 32 billions of reads. We also demonstrate that analyzing metagenomes at the k-mer level is highly correlated with extremely precise de novo comparison techniques which rely on all-versus-all sequences alignment strategy or which are based on taxonomic profiling.

  10. A novel k-mer set memory (KSM) motif representation improves regulatory variant prediction.

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    Guo, Yuchun; Tian, Kevin; Zeng, Haoyang; Guo, Xiaoyun; Gifford, David Kenneth

    2018-04-13

    The representation and discovery of transcription factor (TF) sequence binding specificities is critical for understanding gene regulatory networks and interpreting the impact of disease-associated noncoding genetic variants. We present a novel TF binding motif representation, the k -mer set memory (KSM), which consists of a set of aligned k -mers that are overrepresented at TF binding sites, and a new method called KMAC for de novo discovery of KSMs. We find that KSMs more accurately predict in vivo binding sites than position weight matrix (PWM) models and other more complex motif models across a large set of ChIP-seq experiments. Furthermore, KSMs outperform PWMs and more complex motif models in predicting in vitro binding sites. KMAC also identifies correct motifs in more experiments than five state-of-the-art motif discovery methods. In addition, KSM-derived features outperform both PWM and deep learning model derived sequence features in predicting differential regulatory activities of expression quantitative trait loci (eQTL) alleles. Finally, we have applied KMAC to 1600 ENCODE TF ChIP-seq data sets and created a public resource of KSM and PWM motifs. We expect that the KSM representation and KMAC method will be valuable in characterizing TF binding specificities and in interpreting the effects of noncoding genetic variations. © 2018 Guo et al.; Published by Cold Spring Harbor Laboratory Press.

  11. Recapitulating phylogenies using k-mers: from trees to networks.

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    Bernard, Guillaume; Ragan, Mark A; Chan, Cheong Xin

    2016-01-01

    Ernst Haeckel based his landmark Tree of Life on the supposed ontogenic recapitulation of phylogeny, i.e. that successive embryonic stages during the development of an organism re-trace the morphological forms of its ancestors over the course of evolution. Much of this idea has since been discredited. Today, phylogenies are often based on families of molecular sequences. The standard approach starts with a multiple sequence alignment, in which the sequences are arranged relative to each other in a way that maximises a measure of similarity position-by-position along their entire length. A tree (or sometimes a network) is then inferred. Rigorous multiple sequence alignment is computationally demanding, and evolutionary processes that shape the genomes of many microbes (bacteria, archaea and some morphologically simple eukaryotes) can add further complications. In particular, recombination, genome rearrangement and lateral genetic transfer undermine the assumptions that underlie multiple sequence alignment, and imply that a tree-like structure may be too simplistic. Here, using genome sequences of 143 bacterial and archaeal genomes, we construct a network of phylogenetic relatedness based on the number of shared k -mers (subsequences at fixed length k ). Our findings suggest that the network captures not only key aspects of microbial genome evolution as inferred from a tree, but also features that are not treelike. The method is highly scalable, allowing for investigation of genome evolution across a large number of genomes. Instead of using specific regions or sequences from genome sequences, or indeed Haeckel's idea of ontogeny, we argue that genome phylogenies can be inferred using k -mers from whole-genome sequences. Representing these networks dynamically allows biological questions of interest to be formulated and addressed quickly and in a visually intuitive manner.

  12. The effects of sampling on the efficiency and accuracy of k-mer indexes: Theoretical and empirical comparisons using the human genome.

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    Almutairy, Meznah; Torng, Eric

    2017-01-01

    One of the most common ways to search a sequence database for sequences that are similar to a query sequence is to use a k-mer index such as BLAST. A big problem with k-mer indexes is the space required to store the lists of all occurrences of all k-mers in the database. One method for reducing the space needed, and also query time, is sampling where only some k-mer occurrences are stored. Most previous work uses hard sampling, in which enough k-mer occurrences are retained so that all similar sequences are guaranteed to be found. In contrast, we study soft sampling, which further reduces the number of stored k-mer occurrences at a cost of decreasing query accuracy. We focus on finding highly similar local alignments (HSLA) over nucleotide sequences, an operation that is fundamental to biological applications such as cDNA sequence mapping. For our comparison, we use the NCBI BLAST tool with the human genome and human ESTs. When identifying HSLAs, we find that soft sampling significantly reduces both index size and query time with relatively small losses in query accuracy. For the human genome and HSLAs of length at least 100 bp, soft sampling reduces index size 4-10 times more than hard sampling and processes queries 2.3-6.8 times faster, while still achieving retention rates of at least 96.6%. When we apply soft sampling to the problem of mapping ESTs against the genome, we map more than 98% of ESTs perfectly while reducing the index size by a factor of 4 and query time by 23.3%. These results demonstrate that soft sampling is a simple but effective strategy for performing efficient searches for HSLAs. We also provide a new model for sampling with BLAST that predicts empirical retention rates with reasonable accuracy by modeling two key problem factors.

  13. MicroRNA categorization using sequence motifs and k-mers.

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    Yousef, Malik; Khalifa, Waleed; Acar, İlhan Erkin; Allmer, Jens

    2017-03-14

    Post-transcriptional gene dysregulation can be a hallmark of diseases like cancer and microRNAs (miRNAs) play a key role in the modulation of translation efficiency. Known pre-miRNAs are listed in miRBase, and they have been discovered in a variety of organisms ranging from viruses and microbes to eukaryotic organisms. The computational detection of pre-miRNAs is of great interest, and such approaches usually employ machine learning to discriminate between miRNAs and other sequences. Many features have been proposed describing pre-miRNAs, and we have previously introduced the use of sequence motifs and k-mers as useful ones. There have been reports of xeno-miRNAs detected via next generation sequencing. However, they may be contaminations and to aid that important decision-making process, we aimed to establish a means to differentiate pre-miRNAs from different species. To achieve distinction into species, we used one species' pre-miRNAs as the positive and another species' pre-miRNAs as the negative training and test data for the establishment of machine learned models based on sequence motifs and k-mers as features. This approach resulted in higher accuracy values between distantly related species while species with closer relation produced lower accuracy values. We were able to differentiate among species with increasing success when the evolutionary distance increases. This conclusion is supported by previous reports of fast evolutionary changes in miRNAs since even in relatively closely related species a fairly good discrimination was possible.

  14. Simrank: Rapid and sensitive general-purpose k-mer search tool

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    DeSantis, T.Z.; Keller, K.; Karaoz, U.; Alekseyenko, A.V; Singh, N.N.S.; Brodie, E.L; Pei, Z.; Andersen, G.L; Larsen, N.

    2011-04-01

    Terabyte-scale collections of string-encoded data are expected from consortia efforts such as the Human Microbiome Project (http://nihroadmap.nih.gov/hmp). Intra- and inter-project data similarity searches are enabled by rapid k-mer matching strategies. Software applications for sequence database partitioning, guide tree estimation, molecular classification and alignment acceleration have benefited from embedded k-mer searches as sub-routines. However, a rapid, general-purpose, open-source, flexible, stand-alone k-mer tool has not been available. Here we present a stand-alone utility, Simrank, which allows users to rapidly identify database strings the most similar to query strings. Performance testing of Simrank and related tools against DNA, RNA, protein and human-languages found Simrank 10X to 928X faster depending on the dataset. Simrank provides molecular ecologists with a high-throughput, open source choice for comparing large sequence sets to find similarity.

  15. KGCAK: a K-mer based database for genome-wide phylogeny and complexity evaluation.

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    Wang, Dapeng; Xu, Jiayue; Yu, Jun

    2015-09-16

    The K-mer approach, treating genomic sequences as simple characters and counting the relative abundance of each string upon a fixed K, has been extensively applied to phylogeny inference for genome assembly, annotation, and comparison. To meet increasing demands for comparing large genome sequences and to promote the use of the K-mer approach, we develop a versatile database, KGCAK ( http://kgcak.big.ac.cn/KGCAK/ ), containing ~8,000 genomes that include genome sequences of diverse life forms (viruses, prokaryotes, protists, animals, and plants) and cellular organelles of eukaryotic lineages. It builds phylogeny based on genomic elements in an alignment-free fashion and provides in-depth data processing enabling users to compare the complexity of genome sequences based on K-mer distribution. We hope that KGCAK becomes a powerful tool for exploring relationship within and among groups of species in a tree of life based on genomic data.

  16. Comparing fixed sampling with minimizer sampling when using k-mer indexes to find maximal exact matches.

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    Almutairy, Meznah; Torng, Eric

    2018-01-01

    Bioinformatics applications and pipelines increasingly use k-mer indexes to search for similar sequences. The major problem with k-mer indexes is that they require lots of memory. Sampling is often used to reduce index size and query time. Most applications use one of two major types of sampling: fixed sampling and minimizer sampling. It is well known that fixed sampling will produce a smaller index, typically by roughly a factor of two, whereas it is generally assumed that minimizer sampling will produce faster query times since query k-mers can also be sampled. However, no direct comparison of fixed and minimizer sampling has been performed to verify these assumptions. We systematically compare fixed and minimizer sampling using the human genome as our database. We use the resulting k-mer indexes for fixed sampling and minimizer sampling to find all maximal exact matches between our database, the human genome, and three separate query sets, the mouse genome, the chimp genome, and an NGS data set. We reach the following conclusions. First, using larger k-mers reduces query time for both fixed sampling and minimizer sampling at a cost of requiring more space. If we use the same k-mer size for both methods, fixed sampling requires typically half as much space whereas minimizer sampling processes queries only slightly faster. If we are allowed to use any k-mer size for each method, then we can choose a k-mer size such that fixed sampling both uses less space and processes queries faster than minimizer sampling. The reason is that although minimizer sampling is able to sample query k-mers, the number of shared k-mer occurrences that must be processed is much larger for minimizer sampling than fixed sampling. In conclusion, we argue that for any application where each shared k-mer occurrence must be processed, fixed sampling is the right sampling method.

  17. Comparing fixed sampling with minimizer sampling when using k-mer indexes to find maximal exact matches.

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    Meznah Almutairy

    Full Text Available Bioinformatics applications and pipelines increasingly use k-mer indexes to search for similar sequences. The major problem with k-mer indexes is that they require lots of memory. Sampling is often used to reduce index size and query time. Most applications use one of two major types of sampling: fixed sampling and minimizer sampling. It is well known that fixed sampling will produce a smaller index, typically by roughly a factor of two, whereas it is generally assumed that minimizer sampling will produce faster query times since query k-mers can also be sampled. However, no direct comparison of fixed and minimizer sampling has been performed to verify these assumptions. We systematically compare fixed and minimizer sampling using the human genome as our database. We use the resulting k-mer indexes for fixed sampling and minimizer sampling to find all maximal exact matches between our database, the human genome, and three separate query sets, the mouse genome, the chimp genome, and an NGS data set. We reach the following conclusions. First, using larger k-mers reduces query time for both fixed sampling and minimizer sampling at a cost of requiring more space. If we use the same k-mer size for both methods, fixed sampling requires typically half as much space whereas minimizer sampling processes queries only slightly faster. If we are allowed to use any k-mer size for each method, then we can choose a k-mer size such that fixed sampling both uses less space and processes queries faster than minimizer sampling. The reason is that although minimizer sampling is able to sample query k-mers, the number of shared k-mer occurrences that must be processed is much larger for minimizer sampling than fixed sampling. In conclusion, we argue that for any application where each shared k-mer occurrence must be processed, fixed sampling is the right sampling method.

  18. Comparing fixed sampling with minimizer sampling when using k-mer indexes to find maximal exact matches

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    Torng, Eric

    2018-01-01

    Bioinformatics applications and pipelines increasingly use k-mer indexes to search for similar sequences. The major problem with k-mer indexes is that they require lots of memory. Sampling is often used to reduce index size and query time. Most applications use one of two major types of sampling: fixed sampling and minimizer sampling. It is well known that fixed sampling will produce a smaller index, typically by roughly a factor of two, whereas it is generally assumed that minimizer sampling will produce faster query times since query k-mers can also be sampled. However, no direct comparison of fixed and minimizer sampling has been performed to verify these assumptions. We systematically compare fixed and minimizer sampling using the human genome as our database. We use the resulting k-mer indexes for fixed sampling and minimizer sampling to find all maximal exact matches between our database, the human genome, and three separate query sets, the mouse genome, the chimp genome, and an NGS data set. We reach the following conclusions. First, using larger k-mers reduces query time for both fixed sampling and minimizer sampling at a cost of requiring more space. If we use the same k-mer size for both methods, fixed sampling requires typically half as much space whereas minimizer sampling processes queries only slightly faster. If we are allowed to use any k-mer size for each method, then we can choose a k-mer size such that fixed sampling both uses less space and processes queries faster than minimizer sampling. The reason is that although minimizer sampling is able to sample query k-mers, the number of shared k-mer occurrences that must be processed is much larger for minimizer sampling than fixed sampling. In conclusion, we argue that for any application where each shared k-mer occurrence must be processed, fixed sampling is the right sampling method. PMID:29389989

  19. Kmerind: A Flexible Parallel Library for K-mer Indexing of Biological Sequences on Distributed Memory Systems.

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    Pan, Tony; Flick, Patrick; Jain, Chirag; Liu, Yongchao; Aluru, Srinivas

    2017-10-09

    Counting and indexing fixed length substrings, or k-mers, in biological sequences is a key step in many bioinformatics tasks including genome alignment and mapping, genome assembly, and error correction. While advances in next generation sequencing technologies have dramatically reduced the cost and improved latency and throughput, few bioinformatics tools can efficiently process the datasets at the current generation rate of 1.8 terabases every 3 days. We present Kmerind, a high performance parallel k-mer indexing library for distributed memory environments. The Kmerind library provides a set of simple and consistent APIs with sequential semantics and parallel implementations that are designed to be flexible and extensible. Kmerind's k-mer counter performs similarly or better than the best existing k-mer counting tools even on shared memory systems. In a distributed memory environment, Kmerind counts k-mers in a 120 GB sequence read dataset in less than 13 seconds on 1024 Xeon CPU cores, and fully indexes their positions in approximately 17 seconds. Querying for 1% of the k-mers in these indices can be completed in 0.23 seconds and 28 seconds, respectively. Kmerind is the first k-mer indexing library for distributed memory environments, and the first extensible library for general k-mer indexing and counting. Kmerind is available at https://github.com/ParBLiSS/kmerind.

  20. Implementation of hierarchical clustering using k-mer sparse matrix to analyze MERS-CoV genetic relationship

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    Bustamam, A.; Ulul, E. D.; Hura, H. F. A.; Siswantining, T.

    2017-07-01

    Hierarchical clustering is one of effective methods in creating a phylogenetic tree based on the distance matrix between DNA (deoxyribonucleic acid) sequences. One of the well-known methods to calculate the distance matrix is k-mer method. Generally, k-mer is more efficient than some distance matrix calculation techniques. The steps of k-mer method are started from creating k-mer sparse matrix, and followed by creating k-mer singular value vectors. The last step is computing the distance amongst vectors. In this paper, we analyze the sequences of MERS-CoV (Middle East Respiratory Syndrome - Coronavirus) DNA by implementing hierarchical clustering using k-mer sparse matrix in order to perform the phylogenetic analysis. Our results show that the ancestor of our MERS-CoV is coming from Egypt. Moreover, we found that the MERS-CoV infection that occurs in one country may not necessarily come from the same country of origin. This suggests that the process of MERS-CoV mutation might not only be influenced by geographical factor.

  1. A pipeline for the de novo assembly of the Themira biloba (Sepsidae: Diptera) transcriptome using a multiple k-mer length approach.

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    Melicher, Dacotah; Torson, Alex S; Dworkin, Ian; Bowsher, Julia H

    2014-03-12

    The Sepsidae family of flies is a model for investigating how sexual selection shapes courtship and sexual dimorphism in a comparative framework. However, like many non-model systems, there are few molecular resources available. Large-scale sequencing and assembly have not been performed in any sepsid, and the lack of a closely related genome makes investigation of gene expression challenging. Our goal was to develop an automated pipeline for de novo transcriptome assembly, and to use that pipeline to assemble and analyze the transcriptome of the sepsid Themira biloba. Our bioinformatics pipeline uses cloud computing services to assemble and analyze the transcriptome with off-site data management, processing, and backup. It uses a multiple k-mer length approach combined with a second meta-assembly to extend transcripts and recover more bases of transcript sequences than standard single k-mer assembly. We used 454 sequencing to generate 1.48 million reads from cDNA generated from embryo, larva, and pupae of T. biloba and assembled a transcriptome consisting of 24,495 contigs. Annotation identified 16,705 transcripts, including those involved in embryogenesis and limb patterning. We assembled transcriptomes from an additional three non-model organisms to demonstrate that our pipeline assembled a higher-quality transcriptome than single k-mer approaches across multiple species. The pipeline we have developed for assembly and analysis increases contig length, recovers unique transcripts, and assembles more base pairs than other methods through the use of a meta-assembly. The T. biloba transcriptome is a critical resource for performing large-scale RNA-Seq investigations of gene expression patterns, and is the first transcriptome sequenced in this Dipteran family.

  2. Designing small universal k-mer hitting sets for improved analysis of high-throughput sequencing.

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    Yaron Orenstein

    2017-10-01

    Full Text Available With the rapidly increasing volume of deep sequencing data, more efficient algorithms and data structures are needed. Minimizers are a central recent paradigm that has improved various sequence analysis tasks, including hashing for faster read overlap detection, sparse suffix arrays for creating smaller indexes, and Bloom filters for speeding up sequence search. Here, we propose an alternative paradigm that can lead to substantial further improvement in these and other tasks. For integers k and L > k, we say that a set of k-mers is a universal hitting set (UHS if every possible L-long sequence must contain a k-mer from the set. We develop a heuristic called DOCKS to find a compact UHS, which works in two phases: The first phase is solved optimally, and for the second we propose several efficient heuristics, trading set size for speed and memory. The use of heuristics is motivated by showing the NP-hardness of a closely related problem. We show that DOCKS works well in practice and produces UHSs that are very close to a theoretical lower bound. We present results for various values of k and L and by applying them to real genomes show that UHSs indeed improve over minimizers. In particular, DOCKS uses less than 30% of the 10-mers needed to span the human genome compared to minimizers. The software and computed UHSs are freely available at github.com/Shamir-Lab/DOCKS/ and acgt.cs.tau.ac.il/docks/, respectively.

  3. Influence of defects on the effective electrical conductivity of a monolayer produced by random sequential adsorption of linear k-mers onto a square lattice

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    Tarasevich, Yuri Yu.; Laptev, Valeri V.; Goltseva, Valeria A.; Lebovka, Nikolai I.

    2017-07-01

    The effect of defects on the behaviour of electrical conductivity, σ, in a monolayer produced by the random sequential adsorption of linear k-mers (particles occupying k adjacent sites) onto a square lattice is studied by means of a Monte Carlo simulation. The k-mers are deposited on the substrate until a jamming state is reached. The presence of defects in the lattice (impurities) and of defects in the k-mers with concentrations of dl and dk, respectively, is assumed. The defects in the lattice are distributed randomly before deposition and these lattice sites are forbidden for the deposition of k-mers. The defects of the k-mers are distributed randomly on the deposited k-mers. The sites filled with k-mers have high electrical conductivity, σk, whereas the empty sites, and the sites filled by either types of defect have a low electrical conductivity, σl, i.e., a high-contrast, σk /σl ≫ 1, is assumed. We examined isotropic (both the possible x and y orientations of a particle are equiprobable) and anisotropic (all particles are aligned along one given direction, y) deposition. To calculate the effective electrical conductivity, the monolayer was presented as a random resistor network and the Frank-Lobb algorithm was used. The effects of the concentrations of defects dl and dk on the electrical conductivity for the values of k =2n, where n = 1 , 2 , … , 5, were studied. Increase of both the dl and dk parameters values resulted in decreases in the value of σ and the suppression of percolation. Moreover, for anisotropic deposition the electrical conductivity along the y direction was noticeably larger than in the perpendicular direction, x. Phase diagrams in the (dl ,dk)-plane for different values of k were obtained.

  4. kWIP: The k-mer weighted inner product, a de novo estimator of genetic similarity.

    Science.gov (United States)

    Murray, Kevin D; Webers, Christfried; Ong, Cheng Soon; Borevitz, Justin; Warthmann, Norman

    2017-09-01

    Modern genomics techniques generate overwhelming quantities of data. Extracting population genetic variation demands computationally efficient methods to determine genetic relatedness between individuals (or "samples") in an unbiased manner, preferably de novo. Rapid estimation of genetic relatedness directly from sequencing data has the potential to overcome reference genome bias, and to verify that individuals belong to the correct genetic lineage before conclusions are drawn using mislabelled, or misidentified samples. We present the k-mer Weighted Inner Product (kWIP), an assembly-, and alignment-free estimator of genetic similarity. kWIP combines a probabilistic data structure with a novel metric, the weighted inner product (WIP), to efficiently calculate pairwise similarity between sequencing runs from their k-mer counts. It produces a distance matrix, which can then be further analysed and visualised. Our method does not require prior knowledge of the underlying genomes and applications include establishing sample identity and detecting mix-up, non-obvious genomic variation, and population structure. We show that kWIP can reconstruct the true relatedness between samples from simulated populations. By re-analysing several published datasets we show that our results are consistent with marker-based analyses. kWIP is written in C++, licensed under the GNU GPL, and is available from https://github.com/kdmurray91/kwip.

  5. A k-mer-based barcode DNA classification methodology based on spectral representation and a neural gas network.

    Science.gov (United States)

    Fiannaca, Antonino; La Rosa, Massimo; Rizzo, Riccardo; Urso, Alfonso

    2015-07-01

    In this paper, an alignment-free method for DNA barcode classification that is based on both a spectral representation and a neural gas network for unsupervised clustering is proposed. In the proposed methodology, distinctive words are identified from a spectral representation of DNA sequences. A taxonomic classification of the DNA sequence is then performed using the sequence signature, i.e., the smallest set of k-mers that can assign a DNA sequence to its proper taxonomic category. Experiments were then performed to compare our method with other supervised machine learning classification algorithms, such as support vector machine, random forest, ripper, naïve Bayes, ridor, and classification tree, which also consider short DNA sequence fragments of 200 and 300 base pairs (bp). The experimental tests were conducted over 10 real barcode datasets belonging to different animal species, which were provided by the on-line resource "Barcode of Life Database". The experimental results showed that our k-mer-based approach is directly comparable, in terms of accuracy, recall and precision metrics, with the other classifiers when considering full-length sequences. In addition, we demonstrate the robustness of our method when a classification is performed task with a set of short DNA sequences that were randomly extracted from the original data. For example, the proposed method can reach the accuracy of 64.8% at the species level with 200-bp fragments. Under the same conditions, the best other classifier (random forest) reaches the accuracy of 20.9%. Our results indicate that we obtained a clear improvement over the other classifiers for the study of short DNA barcode sequence fragments. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Spectra of conformal sigma models

    International Nuclear Information System (INIS)

    Tlapak, Vaclav

    2015-04-01

    In this thesis the spectra of conformal sigma models defined on (generalized) symmetric spaces are analysed. The spaces where sigma models are conformal without the addition of a Wess-Zumino term are supermanifolds, in other words spaces that include fermionic directions. After a brief review of the general construction of vertex operators and the background field expansion, we compute the diagonal terms of the one-loop anomalous dimensions of sigma models on semi-symmetric spaces. We find that the results are formally identical to the symmetric case. However, unlike for sigma models on symmetric spaces, off diagonal terms that lead to operator mixing are also present. These are not computed here. We then present a detailed analysis of the one-loop spectrum of the supersphere S 3 vertical stroke 2 sigma model as one of the simplest examples. The analysis illustrates the power and simplicity of the construction. We use this data to revisit a duality with the OSP(4 vertical stroke 2) Gross-Neveu model that was proposed by Candu and Saleur. With the help of a recent all-loop result for the anomalous dimension of (1)/(2)BPS operators of Gross-Neveu models, we are able to recover the entire zero-mode spectrum of the supersphere model. We also argue that the sigma model constraints and its equations of motion are implemented correctly in the Gross-Neveu model, including the one-loop data. The duality is further supported by a new all-loop result for the anomalous dimension of the ground states of the sigma model. However, higher-gradient operators cannot be completely recovered. It is possible that this discrepancy is related to a known instability of the sigma model. The instability of sigma models is due to symmetry preserving high-gradient operators that become relevant at arbitrarily small values of the coupling. This feature has been observed long ago in one-loop calculations of the O(N)-vector model and soon been realized to be a generic property of sigma models

  7. Identification of species based on DNA barcode using k-mer feature vector and Random forest classifier.

    Science.gov (United States)

    Meher, Prabina Kumar; Sahu, Tanmaya Kumar; Rao, A R

    2016-11-05

    DNA barcoding is a molecular diagnostic method that allows automated and accurate identification of species based on a short and standardized fragment of DNA. To this end, an attempt has been made in this study to develop a computational approach for identifying the species by comparing its barcode with the barcode sequence of known species present in the reference library. Each barcode sequence was first mapped onto a numeric feature vector based on k-mer frequencies and then Random forest methodology was employed on the transformed dataset for species identification. The proposed approach outperformed similarity-based, tree-based, diagnostic-based approaches and found comparable with existing supervised learning based approaches in terms of species identification success rate, while compared using real and simulated datasets. Based on the proposed approach, an online web interface SPIDBAR has also been developed and made freely available at http://cabgrid.res.in:8080/spidbar/ for species identification by the taxonomists. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. PCA: Principal Component Analysis for spectra modeling

    Science.gov (United States)

    Hurley, Peter D.; Oliver, Seb; Farrah, Duncan; Wang, Lingyu; Efstathiou, Andreas

    2012-07-01

    The mid-infrared spectra of ultraluminous infrared galaxies (ULIRGs) contain a variety of spectral features that can be used as diagnostics to characterize the spectra. However, such diagnostics are biased by our prior prejudices on the origin of the features. Moreover, by using only part of the spectrum they do not utilize the full information content of the spectra. Blind statistical techniques such as principal component analysis (PCA) consider the whole spectrum, find correlated features and separate them out into distinct components. This code, written in IDL, classifies principal components of IRS spectra to define a new classification scheme using 5D Gaussian mixtures modelling. The five PCs and average spectra for the four classifications to classify objects are made available with the code.

  9. Spectra of coset sigma models

    Energy Technology Data Exchange (ETDEWEB)

    Candu, Constantin [Institut fuer Theoretische Physik, Zuerich (Switzerland); Mitev, Vladimir [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Mathematik; Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Schomerus, Volker [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group

    2013-08-15

    We compute the complete 1-loop spectrum of anomalous dimensions for the bulk fields of non-linear sigma models on symmetric coset (super)spaces G/H, both with and without world-sheet supersymmetry. In addition, we provide two new methods for the construction of partition functions in the infinite radius limit and demonstrate their efficiency in the case of (super)sphere sigma models. Our results apply to a large number of target spaces including superspheres and superprojective spaces such as the N=2 sigma model on CP{sup 3} {sup vertical} {sup stroke} {sup 4}.

  10. Spectra of coset sigma models

    International Nuclear Information System (INIS)

    Candu, Constantin; Mitev, Vladimir; Humboldt-Universitaet, Berlin; Schomerus, Volker

    2013-08-01

    We compute the complete 1-loop spectrum of anomalous dimensions for the bulk fields of non-linear sigma models on symmetric coset (super)spaces G/H, both with and without world-sheet supersymmetry. In addition, we provide two new methods for the construction of partition functions in the infinite radius limit and demonstrate their efficiency in the case of (super)sphere sigma models. Our results apply to a large number of target spaces including superspheres and superprojective spaces such as the N=2 sigma model on CP 3 vertical stroke 4 .

  11. Optimization of de novo transcriptome assembly from high-throughput short read sequencing data improves functional annotation for non-model organisms

    Directory of Open Access Journals (Sweden)

    Haznedaroglu Berat Z

    2012-07-01

    Full Text Available Abstract Background The k-mer hash length is a key factor affecting the output of de novo transcriptome assembly packages using de Bruijn graph algorithms. Assemblies constructed with varying single k-mer choices might result in the loss of unique contiguous sequences (contigs and relevant biological information. A common solution to this problem is the clustering of single k-mer assemblies. Even though annotation is one of the primary goals of a transcriptome assembly, the success of assembly strategies does not consider the impact of k-mer selection on the annotation output. This study provides an in-depth k-mer selection analysis that is focused on the degree of functional annotation achieved for a non-model organism where no reference genome information is available. Individual k-mers and clustered assemblies (CA were considered using three representative software packages. Pair-wise comparison analyses (between individual k-mers and CAs were produced to reveal missing Kyoto Encyclopedia of Genes and Genomes (KEGG ortholog identifiers (KOIs, and to determine a strategy that maximizes the recovery of biological information in a de novo transcriptome assembly. Results Analyses of single k-mer assemblies resulted in the generation of various quantities of contigs and functional annotations within the selection window of k-mers (k-19 to k-63. For each k-mer in this window, generated assemblies contained certain unique contigs and KOIs that were not present in the other k-mer assemblies. Producing a non-redundant CA of k-mers 19 to 63 resulted in a more complete functional annotation than any single k-mer assembly. However, a fraction of unique annotations remained (~0.19 to 0.27% of total KOIs in the assemblies of individual k-mers (k-19 to k-63 that were not present in the non-redundant CA. A workflow to recover these unique annotations is presented. Conclusions This study demonstrated that different k-mer choices result in various quantities

  12. Infrared Model Spectra for Evolving Red Supergiants

    Directory of Open Access Journals (Sweden)

    Kyung-Won Suh

    1993-06-01

    Full Text Available The space and ground based infrared spectra of red supergiants are modeled and arranged in order of their evolutionary status with their theoretical model parameters. The chemical compositions of the dust shells around red supergiants are affected by the nuclear reaction and dredge-up processes of the cental stars. The processes are sensitively dependent on the initial mass, the initial chemical composition, and the evolutionary status. Miras, infrared carbon stars, and OH/IR stars have close link in their evolution in manu aspects, i,e., the chemical composition, the optical depths and the mass loss rates. The evolutionary tracks for the three classes of red supergiants on infrared two-color diagrams have been made from model calculations and IRAS observational data.

  13. Spectroscopic modeling for tungsten EUV spectra

    International Nuclear Information System (INIS)

    Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Suzuki, Chihiro; Morita, Shigeru; Goto, Motoshi; Sasaki, Akira; Nakamura, Nobuyuki; Yamamoto, Norimasa; Koike, Fumihiro

    2014-01-01

    We have constructed an atomic model for tungsten extreme ultraviolet (EUV) spectra to reconstruct characteristic spectral feature of unresolved transition array (UTA) observed at 4-7 nm for tungsten ions. In the tungsten atomic modeling, we considered fine-structure levels with the quantum principal number n up to 6 as the atomic structure and calculated the electron-impact collision cross sections by relativistic distorted-wave method, using HULLAC atomic code. We measured tungsten EUV spectra in Large Helical Device (LHD) and Compact Electron Beam Ion Trap device (CoBIT) and compared them with the model calculation. The model successfully explain series of emission peaks at 1.5-3.5 nm as n=5-4 and 6-4 transitions of W"2"4"+ - W"3"2"+ measured in CoBIT and LHD and the charge state distributions were estimated for LHD plasma. The UTA feature observed at 4-7 nm was also successfully reconstructed with our model. The peak at ∼5 nm is produced mainly by many 4f-4d transition of W"2"2"+ - W"3"5"+ ions, and the second peak at ∼6 nm is produced by 4f-4d transition of W"2"5"+ - W"2"8"+ ions, and 4d-4p inner-shell transitions, 4p"54d"n"+"1 - 4p"64d"n, of W"2"9"+ - W"3"5"+ ions. These 4d-4p inner-shell transitions become strong since we included higher excited states such as 4p"54d"n4f state, which ADAS atomic data set does not include for spectroscopic modeling with fine structure levels. (author)

  14. Boundary spectra in superspace σ-models

    International Nuclear Information System (INIS)

    Quella, T.; Schomerus, V.; Creutzig, T.

    2007-12-01

    In this note we compute exact boundary spectra for D-instantons in σ-models on the supergroup PSL(22). Our results are obtained through an explicit summation of the perturbative expansion for conformal dimensions to all orders in the curvature radius. The analysis exploits several remarkable properties of the perturbation series that arises from rescalings of the metric on PSL(22) relative to a fixed Wess- Zumino term. According to Berkovits, Vafa and Witten, the models are relevant in the context of string theory on AdS 3 with non-vanishing RR-flux. The note concludes with a number of comments on various possible generalizations to other supergroups and higher dimensional supercoset theories. (orig.)

  15. Modeling degradation in SOEC impedance spectra

    DEFF Research Database (Denmark)

    Jensen, Søren Højgaard; Hauch, Anne; Knibbe, Ruth

    2013-01-01

    Solid oxide cell (SOC) performance is limited by various processes. One way to investigate these processes is by electrochemical impedance spectroscopy. In order to quantify and characterize the processes, an equivalent circuit can be used to model the SOC impedance spectra (IS). Unfortunately......, the optimal equivalent circuit is often unknown and to complicate matters further, several processes contribute to the SOC impedance - making detailed process characterization difficult. In this work we analyze and model a series of IS measured during steam electrolysis operation of an SOC. During testing......, degradation is only observed in the Ni/YSZ electrode and not in the electrolyte or the LSM/YSZ electrode. A batch fit of the differences between the IS shows that a modified Gerischer element provides a better fit to the Ni/YSZ electrode impedance than the frequently used RQ element - albeit neither...

  16. Theoretical modelling of actinide spectra in solution

    International Nuclear Information System (INIS)

    Danilo, Cecile

    2009-01-01

    The framework of this PhD is the interpretation of Nuclear Magnetic Relaxation Dispersion experiments performed on solvated U"4"+, NpO_2"+ and PuO_2"2"+, which all have a f"2 configuration. Unexpectedly the two actinyl ions have a much higher relaxivity than U"4"+,. One possible explanation is that the electronic relaxation rate is faster for Uranium(IV) than for the actinyl ions. We address this problem by exploring the electronic spectrum of the three compounds in gas phase and in solution with a two-step SOCI (Spin-Orbit Configuration-Interaction) method. The influence of electron correlation (treated in the first step) and spin-orbit relaxation effects (considered in the second step) has been discussed thoroughly. Solvent effects have been investigated as well. Another issue that has been questioned is the accuracy of Density Functional Theory for the study of actinide species. This matter has been discussed by comparing its performance to wave-function based correlated methods. The chemical problem chosen was the water exchange in [UO_2"2"+ (H_2O)_5]. We looked at the associative and at the dissociative mechanisms using a model with one additional water in the second hydration sphere. The last part of the thesis dealt with the spectroscopy of coordinated Uranyl(V). Absorption spectrum of Uranyl(V) with various ligands has been recorded. The first sharp absorption bands in the Near-Infrared region were assigned to the Uranium centered 5f-5f transitions, but uncertainties remained for the assignment of transitions observed in the Visible region. We computed the spectra of naked UO_2"+ and [UO_2(CO_3)_3]"5"- to elucidate the spectral changes induced by the carbonate ligands. (author) [fr

  17. Raman spectra of lignin model compounds

    Science.gov (United States)

    Umesh P. Agarwal; Richard S. Reiner; Ashok K. Pandey; Sally A. Ralph; Kolby C. Hirth; Rajai H. Atalla

    2005-01-01

    To fully exploit the value of Raman spectroscopy for analyzing lignins and lignin containing materials, a detailed understanding of lignins’ Raman spectra needs to be achieved. Although advances made thus far have led to significant growth in application of Raman techniques, further developments are needed to improve upon the existing knowledge. Considering that lignin...

  18. Meson spectra using relativistic quark models

    International Nuclear Information System (INIS)

    Eggers, M.C.

    1985-01-01

    The complexity of QCD has led to the use of simpler, phenomenological models for hadrons, notably potential models. A short overview of the origin, rationale, merits and demerits of such models is given. Nonrelativistic models and scaling laws are discussed using the WKB technique for illustrative purposes. The failure of nonrelativistic models to describe the lighter mesons motivates the introduction of relativistic equations. Relativistic kinematics are incorporated into a Schroedinger formalism using equations derived by A. Barut, while two-body kinematics are brought into a one-body form via a substitution related to the Todorov equation. The potential used involves a semi-analytic solution to a harmonic oscillator modified by a spin-spin interaction term. The results seem to indicate that such a harmonic oscillator is unsuitable to describe diquark systems adequately

  19. Comparative Modelling of the Spectra of Cool Giants

    Science.gov (United States)

    Lebzelter, T.; Heiter, U.; Abia, C.; Eriksson, K.; Ireland, M.; Neilson, H.; Nowotny, W; Maldonado, J; Merle, T.; Peterson, R.; hide

    2012-01-01

    Our ability to extract information from the spectra of stars depends on reliable models of stellar atmospheres and appropriate techniques for spectral synthesis. Various model codes and strategies for the analysis of stellar spectra are available today. Aims. We aim to compare the results of deriving stellar parameters using different atmosphere models and different analysis strategies. The focus is set on high-resolution spectroscopy of cool giant stars. Methods. Spectra representing four cool giant stars were made available to various groups and individuals working in the area of spectral synthesis, asking them to derive stellar parameters from the data provided. The results were discussed at a workshop in Vienna in 2010. Most of the major codes currently used in the astronomical community for analyses of stellar spectra were included in this experiment. Results. We present the results from the different groups, as well as an additional experiment comparing the synthetic spectra produced by various codes for a given set of stellar parameters. Similarities and differences of the results are discussed. Conclusions. Several valid approaches to analyze a given spectrum of a star result in quite a wide range of solutions. The main causes for the differences in parameters derived by different groups seem to lie in the physical input data and in the details of the analysis method. This clearly shows how far from a definitive abundance analysis we still are.

  20. Energy spectra of odd nuclei in the generalized model

    Directory of Open Access Journals (Sweden)

    I. O. Korzh

    2015-04-01

    Full Text Available Based on the generalized nuclear model, energy spectra of the odd nuclei of such elements as 25Mg, 41K, and 65Cu are determined, and the structure of wave functions of these nuclei in the excited and normal states is studied. High quality in determining the energy spectra is possible due to the accurate calculations of all elements of the energy matrix. It is demonstrated that the structure of the wave functions so determined provides the possibility to more accurately select the nuclear model and the method for calculating the nucleon cross-sections of the inelastic scattering of nucleons by odd nuclei.

  1. Fitting PAC spectra with stochastic models: PolyPacFit

    Energy Technology Data Exchange (ETDEWEB)

    Zacate, M. O., E-mail: zacatem1@nku.edu [Northern Kentucky University, Department of Physics and Geology (United States); Evenson, W. E. [Utah Valley University, College of Science and Health (United States); Newhouse, R.; Collins, G. S. [Washington State University, Department of Physics and Astronomy (United States)

    2010-04-15

    PolyPacFit is an advanced fitting program for time-differential perturbed angular correlation (PAC) spectroscopy. It incorporates stochastic models and provides robust options for customization of fits. Notable features of the program include platform independence and support for (1) fits to stochastic models of hyperfine interactions, (2) user-defined constraints among model parameters, (3) fits to multiple spectra simultaneously, and (4) any spin nuclear probe.

  2. Real-Time Pathogen Detection in the Era of Whole-Genome Sequencing and Big Data: Comparison of k-mer and Site-Based Methods for Inferring the Genetic Distances among Tens of Thousands of Salmonella Samples.

    Directory of Open Access Journals (Sweden)

    James B Pettengill

    Full Text Available The adoption of whole-genome sequencing within the public health realm for molecular characterization of bacterial pathogens has been followed by an increased emphasis on real-time detection of emerging outbreaks (e.g., food-borne Salmonellosis. In turn, large databases of whole-genome sequence data are being populated. These databases currently contain tens of thousands of samples and are expected to grow to hundreds of thousands within a few years. For these databases to be of optimal use one must be able to quickly interrogate them to accurately determine the genetic distances among a set of samples. Being able to do so is challenging due to both biological (evolutionary diverse samples and computational (petabytes of sequence data issues. We evaluated seven measures of genetic distance, which were estimated from either k-mer profiles (Jaccard, Euclidean, Manhattan, Mash Jaccard, and Mash distances or nucleotide sites (NUCmer and an extended multi-locus sequence typing (MLST scheme. When analyzing empirical data (whole-genome sequence data from 18,997 Salmonella isolates there are features (e.g., genomic, assembly, and contamination that cause distances inferred from k-mer profiles, which treat absent data as informative, to fail to accurately capture the distance between samples when compared to distances inferred from differences in nucleotide sites. Thus, site-based distances, like NUCmer and extended MLST, are superior in performance, but accessing the computing resources necessary to perform them may be challenging when analyzing large databases.

  3. Real-Time Pathogen Detection in the Era of Whole-Genome Sequencing and Big Data: Comparison of k-mer and Site-Based Methods for Inferring the Genetic Distances among Tens of Thousands of Salmonella Samples.

    Science.gov (United States)

    Pettengill, James B; Pightling, Arthur W; Baugher, Joseph D; Rand, Hugh; Strain, Errol

    2016-01-01

    The adoption of whole-genome sequencing within the public health realm for molecular characterization of bacterial pathogens has been followed by an increased emphasis on real-time detection of emerging outbreaks (e.g., food-borne Salmonellosis). In turn, large databases of whole-genome sequence data are being populated. These databases currently contain tens of thousands of samples and are expected to grow to hundreds of thousands within a few years. For these databases to be of optimal use one must be able to quickly interrogate them to accurately determine the genetic distances among a set of samples. Being able to do so is challenging due to both biological (evolutionary diverse samples) and computational (petabytes of sequence data) issues. We evaluated seven measures of genetic distance, which were estimated from either k-mer profiles (Jaccard, Euclidean, Manhattan, Mash Jaccard, and Mash distances) or nucleotide sites (NUCmer and an extended multi-locus sequence typing (MLST) scheme). When analyzing empirical data (whole-genome sequence data from 18,997 Salmonella isolates) there are features (e.g., genomic, assembly, and contamination) that cause distances inferred from k-mer profiles, which treat absent data as informative, to fail to accurately capture the distance between samples when compared to distances inferred from differences in nucleotide sites. Thus, site-based distances, like NUCmer and extended MLST, are superior in performance, but accessing the computing resources necessary to perform them may be challenging when analyzing large databases.

  4. TRANSMISSION SPECTRA OF THREE-DIMENSIONAL HOT JUPITER MODEL ATMOSPHERES

    International Nuclear Information System (INIS)

    Fortney, J. J.; Shabram, M.; Showman, A. P.; Lian, Y.; Lewis, N. K.; Freedman, R. S.; Marley, M. S.

    2010-01-01

    We compute models of the transmission spectra of planets HD 209458b, HD 189733b, and generic hot Jupiters. We examine the effects of temperature, surface gravity, and metallicity for the generic planets as a guide to understanding transmission spectra in general. We find that carbon dioxide absorption at 4.4 and 15 μm is prominent at high metallicity, and is a clear metallicity indicator. For HD 209458b and HD 189733b, we compute spectra for both one-dimensional and three-dimensional model atmospheres and examine the differences between them. The differences are usually small, but can be large if atmospheric temperatures are near important chemical abundance boundaries. The calculations for the three-dimensional atmospheres, and their comparison with data, serve as constraints on these dynamical models that complement the secondary eclipse and light curve data sets. For HD 209458b, even if TiO and VO gases are abundant on the dayside, their abundances can be considerably reduced on the cooler planetary limb. However, given the predicted limb temperatures and TiO abundances, the model's optical opacity is too high. For HD 189733b we find a good match with some infrared data sets and constrain the altitude of a postulated haze layer. For this planet, substantial differences can exist between the transmission spectra of the leading and trailing hemispheres, which are an excellent probe of carbon chemistry. In thermochemical equilibrium, the cooler leading hemisphere is methane-dominated, and the hotter trailing hemisphere is CO-dominated, but these differences may be eliminated by non-equilibrium chemistry due to vertical mixing. It may be possible to constrain the carbon chemistry of this planet, and its spatial variation, with James Webb Space Telescope.

  5. Gigahertz-peaked Spectra Pulsars and Thermal Absorption Model

    Energy Technology Data Exchange (ETDEWEB)

    Kijak, J.; Basu, R.; Lewandowski, W.; Rożko, K. [Janusz Gil Institute of Astronomy, University of Zielona Góra, ul. Z. Szafrana 2, PL-65-516 Zielona Góra (Poland); Dembska, M., E-mail: jkijak@astro.ia.uz.zgora.pl [DLR Institute of Space Systems, Robert-Hooke-Str. 7 D-28359 Bremen (Germany)

    2017-05-10

    We present the results of our radio interferometric observations of pulsars at 325 and 610 MHz using the Giant Metrewave Radio Telescope. We used the imaging method to estimate the flux densities of several pulsars at these radio frequencies. The analysis of the shapes of the pulsar spectra allowed us to identify five new gigahertz-peaked spectra (GPS) pulsars. Using the hypothesis that the spectral turnovers are caused by thermal free–free absorption in the interstellar medium, we modeled the spectra of all known objects of this kind. Using the model, we were able to put some observational constraints on the physical parameters of the absorbing matter, which allows us to distinguish between the possible sources of absorption. We also discuss the possible effects of the existence of GPS pulsars on future search surveys, showing that the optimal frequency range for finding such objects would be from a few GHz (for regular GPS sources) to possibly 10 GHz for pulsars and radio magnetars exhibiting very strong absorption.

  6. Nonscaling parametrization of hadronic spectra and dual parton model

    International Nuclear Information System (INIS)

    Gaponenko, O.N.

    2001-01-01

    Using the popular Wdowczyk-Wolfendale parametrization (WW-parametrization) as an example one studies restrictions imposed by a dual parton model for different nonscaling parametrizations of the pulsed hadron spectra in soft hadron-hadron and hadron-nuclear interactions. One derived a new parametrization free from basic drawback of the WW-formulae. In the central range the determined parametrization show agreement with the Wdowczyk-Wolfendale formula, but in contrast to the last-named one it does not result in contradiction with the experiment due to fast reduction of inelastic factor reduction with energy increase [ru

  7. Modeling of A-DLTS Spectra of MOS Structures

    Directory of Open Access Journals (Sweden)

    Peter Hockicko

    2008-01-01

    Full Text Available Acquisition of basic characteristic of defects has become possible through a wide class of measurement techniqueswhich probe the interface, the near interface, as well as the bulk of semiconductor. Results presented here are basedessentially on the acoustic version of Deep Level Transient Spectroscopy (A-DLTS measurements. This method is based onthe acoustoelectric response effect observed at the interface. The A-DLTS uses the acoustoelectric response signal (ARSproduced by MOS structure interface when a longitudal acoustic wave propagates through a structure. The ARS is extremelysensitive to external conditions of the structure and reflects any changes in the charge distribution connected with chargedtraps. The temperature dependence of ARS after bias voltage step application is investigated and the activation energies andsome other parameters of traps at the insulator – semiconductor interface are determined. The results obtained formArrhenius plots of A-DLTS spectra of selected MOS structures are compared with results obtained from modeling of ADLTS spectra using theoretical model.

  8. Modeling Blazar Spectra by Solving an Electron Transport Equation

    Science.gov (United States)

    Lewis, Tiffany; Finke, Justin; Becker, Peter A.

    2018-01-01

    Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.

  9. A model of tungsten anode x-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Hernández, G.; Fernández, F., E-mail: fdz@usal.es [Física Fundamental, Universidad de Salamanca, Salamanca 37008 (Spain)

    2016-08-15

    Purpose: A semiempirical model for x-ray production in tungsten thick-targets was evaluated using a new characterization of electron fluence. Methods: Electron fluence is modeled taking into account both the energy and angular distributions, each of them adjusted to Monte Carlo simulated data. Distances were scaled by the CSDA range to reduce the energy dependence. Bremsstrahlung production was found by integrating the cross section with the fluence in a 1D penetration model. Characteristic radiation was added using a semiempirical law whose validity was checked. The results were compared the experimental results of Bhat et al., with the SpekCalc numerical tool, and with MCNPX simulation results from the work of Hernandez and Boone. Results: The model described shows better agreement with the experimental results than the SpekCalc predictions in the sense of area between the spectra. A general improvement of the predictions of half-value layers is also found. The results are also in good agreement with the simulation results in the 50–640 keV energy range. Conclusions: A complete model for x-ray production in thick bremsstrahlung targets has been developed, improving the results of previous works and extending the energy range covered to the 50–640 keV interval.

  10. Spectra of heavy-light mesons in a relativistic model

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jing-Bin; Lue, Cai-Dian [Institute of High Energy Physics, Beijing (China)

    2017-05-15

    The spectra and wave functions of heavy-light mesons are calculated within a relativistic quark model which is based on a heavy-quark expansion of the instantaneous Bethe-Salpeter equation by applying the Foldy-Wouthuysen transformation. The kernel we choose is the standard combination of linear scalar and Coulombic vector. The effective Hamiltonian for heavy-light quark-antiquark system is calculated up to order 1/m{sub Q}{sup 2}. Our results are in good agreement with available experimental data except for the anomalous D{sub s0}{sup *}(2317) and D{sub s1}(2460) states. The newly observed heavy-light meson states can be accommodated successfully in the relativistic quark model with their assignments presented. The D{sub sJ}{sup *}(2860) can be interpreted as the vertical stroke 1{sup 3/2}D{sub 1} right angle and vertical stroke 1{sup 5/2}D{sub 3} right angle states being members of the 1D family with J{sup P} = 1{sup -} and 3{sup -}. (orig.)

  11. Laboratory-based grain-shape models for simulating dust infrared spectra

    NARCIS (Netherlands)

    Mutschke, H.; Min, M.; Tamanai, A.

    2009-01-01

    Context. Analysis of thermal dust emission spectra for dust mineralogy and physical grain properties depends on comparison spectra, which are either laboratory-measured infrared extinction spectra or calculated extinction cross sections based on certain grain models. Often, the agreement between

  12. Electronic Raman spectra in iron-based superconductors with two-orbital model

    International Nuclear Information System (INIS)

    Lu Hongyan; Wang Da; Chen San; Wang Wei; Gong Pifeng

    2011-01-01

    Electronic Raman spectra were calculated in orbital space in a microscopic theory. Both Raman spectra and spectra weight were presented. Raman spectra for the gap symmetries are different from each other. The results can help decide the gap symmetry by comparing with experiments. Electronic Raman spectra in iron-based superconductors with two-orbital model is discussed. In the orbital space, some possible pairing symmetries of the gap are selected. To further discriminate them, electronic Raman spectra and spectra weight at Fermi surface (FS) which helps understand the Raman spectra are calculated in each case. From the low energy threshold, the number of Raman peaks, and the low frequency power law behavior, we can judge whether it is full gap or nodal gap, and even one gap or multi-gaps. The results provide useful predictions for comparison with experiments.

  13. Modelling Velocity Spectra in the Lower Part of the Planetary Boundary Layer

    DEFF Research Database (Denmark)

    Olesen, H.R.; Larsen, Søren Ejling; Højstrup, Jørgen

    1984-01-01

    of the planetary boundary layer. Knowledge of the variation with stability of the (reduced) frequency f, for the spectral maximum is utilized in this modelling. Stable spectra may be normalized so that they adhere to one curve only, irrespective of stability, and unstable w-spectra may also be normalized to fit...... one curve. The problem of using filtered velocity variances when modelling spectra is discussed. A simplified procedure to provide a first estimate of the filter effect is given. In stable, horizontal velocity spectra, there is often a ‘gap’ at low frequencies. Using dimensional considerations...... and the spectral model previously derived, an expression for the gap frequency is found....

  14. Synthesis of audio spectra using a diffraction model.

    Science.gov (United States)

    Vijayakumar, V; Eswaran, C

    2006-12-01

    It is shown that the intensity variations of an audio signal in the frequency domain can be obtained by using a mathematical function containing a series of weighted complex Bessel functions. With proper choice of values for two parameters, this function can transform an input spectrum of discrete frequencies of unit intensity into the known spectra of different musical instruments. Specific examples of musical instruments are considered for evaluating the performance of this method. It is found that this function yields musical spectra with a good degree of accuracy.

  15. Modeling a gamma spectroscopy system and predicting spectra with Geant-4

    International Nuclear Information System (INIS)

    Sahin, D.; Uenlue, K.

    2009-01-01

    An activity predictor software was previously developed to foresee activities, exposure rates and gamma spectra of activated samples for Radiation Science and Engineering Center (RSEC), Penn State Breazeale Reactor (PSBR), Neutron Activation Analysis (NAA) measurements. With Activity Predictor it has been demonstrated that the predicted spectra were less than satisfactory. In order to obtain better predicted spectra, a new detailed model for the RSEC NAA spectroscopy system with High Purity Germanium (HPGe) detector is developed using Geant-4. The model was validated with a National Bureau of Standards certified 60 Co source and tree activated high purity samples at PSBR. The predicted spectra agreed well with measured spectra. Error in net photo peak area values were 8.6-33.6%. Along with the previously developed activity predictor software, this new model in Geant-4 provided realistic spectra prediction for NAA experiments at RSEC PSBR. (author)

  16. Inclusive zero-angle neutron spectra at the ISR and OPER-model

    International Nuclear Information System (INIS)

    Grigoryan, A.A.

    1977-01-01

    The invlusive zero-angle neutron spectra in pp-collisions measured at the ISR are compared with the OPER-model predictions. OPER-model rather well describes the experimental data. Some features of the spectra behaviour at fixed transverse momentum and large x are considered

  17. Modeling of XANES-spectra with the FEFF-program

    Energy Technology Data Exchange (ETDEWEB)

    Bosman, E; Thieme, J, E-mail: e.bosman@gmx.d, E-mail: jthieme@gwdg.d [Institute for X-Ray Physics, Georg-August-University Gottingen, Friedrich-Hund-Platz 1, 37077 Gottingen (Germany)

    2009-09-01

    The aim of this project is the calculation of the absorption coefficient {mu} of x-ray absorption spectra as a function of energy and a comparison with experimental data. A characteristic fine structure can be found in x-ray absorption spectra (XAS) consisting of the XANES (X-Ray Absorption Near Edge Structure) and the EXAFS (Extended X-Ray Absorption Fine Structure) region. XANES is characterized by multiple scattering and provides information about coordination chemistry and bonding angles of the irradiated sample. The program FEFF 8.4 was used for the calculations of the absorption K-edge spectra. FEFF was generated for ab initio multiple scattering calculations of X-ray Absorption Fine Structure (XAFS) of atom-clusters. The code yields scattering amplitudes, phases and other quantities. We computed {mu} at the K-edge of several elements like Ti, S and Fe. For this purpose, clusters of Na{sub 2}SO{sub 4}, Ba{sub 2}TiO{sub 4}, FeS{sub 2}, CaSO{sub 2} 2(H {sub 2}O) were used, working with several space groups. Some of the calculations are consistent with the results of the experiments, but others show energy shifts in the range of some eV. In summary, the FEFF calculations and the experimental data exhibit similarities as well as deviations. By using trimming parameters, deviations could be eliminated to a certain extent, which will be presented.

  18. Model independent method to deconvolve hard X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Polcaro, V.F.; Bazzano, A.; Ubertini, P.; La Padula, C. (Consiglio Nazionale delle Ricerche, Frascati (Italy). Lab. di Astrofisica Spaziale); Manchanda, R.K. (Tata Inst. of Fundamental Research, Bombay (India))

    1984-07-01

    A general purpose method to deconvolve the energy spectra detected by means of the use of a hard X-ray telescope is described. The procedure does not assume any form of input spectrum and the observed energy loss spectrum is directly deconvolved into the incident photon spectrum, the form of which can be determined independently of physical interpretation of the data. Deconvolution of the hard X-ray spectrum of Her X-1, detected during the HXR 81M experiment, by the method independent method is presented.

  19. Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

    Science.gov (United States)

    Wang, Lihua

    2012-01-01

    A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

  20. An Inverse Modeling Approach to Estimating Phytoplankton Pigment Concentrations from Phytoplankton Absorption Spectra

    Science.gov (United States)

    Moisan, John R.; Moisan, Tiffany A. H.; Linkswiler, Matthew A.

    2011-01-01

    Phytoplankton absorption spectra and High-Performance Liquid Chromatography (HPLC) pigment observations from the Eastern U.S. and global observations from NASA's SeaBASS archive are used in a linear inverse calculation to extract pigment-specific absorption spectra. Using these pigment-specific absorption spectra to reconstruct the phytoplankton absorption spectra results in high correlations at all visible wavelengths (r(sup 2) from 0.83 to 0.98), and linear regressions (slopes ranging from 0.8 to 1.1). Higher correlations (r(sup 2) from 0.75 to 1.00) are obtained in the visible portion of the spectra when the total phytoplankton absorption spectra are unpackaged by multiplying the entire spectra by a factor that sets the total absorption at 675 nm to that expected from absorption spectra reconstruction using measured pigment concentrations and laboratory-derived pigment-specific absorption spectra. The derived pigment-specific absorption spectra were further used with the total phytoplankton absorption spectra in a second linear inverse calculation to estimate the various phytoplankton HPLC pigments. A comparison between the estimated and measured pigment concentrations for the 18 pigment fields showed good correlations (r(sup 2) greater than 0.5) for 7 pigments and very good correlations (r(sup 2) greater than 0.7) for chlorophyll a and fucoxanthin. Higher correlations result when the analysis is carried out at more local geographic scales. The ability to estimate phytoplankton pigments using pigment-specific absorption spectra is critical for using hyperspectral inverse models to retrieve phytoplankton pigment concentrations and other Inherent Optical Properties (IOPs) from passive remote sensing observations.

  1. Modelling Viscoelasticity of Loudspeaker Suspensions using Retardation Spectra

    DEFF Research Database (Denmark)

    Ritter, Tobias; Agerkvist, Finn T.

    2010-01-01

    , the viscoelastic retardation spectrum, which provides a more fundamental description of the suspension viscoelasticity, is rst used to explain the accuracy of the empirical LOG creep model (Knudsen et al.). Then, two extensions to the LOG model are proposed which include the low and high frequency limit...... of the compliance, not accounted for in the original LOG model. The new creep models are veried by measurements on two 5.5 loudspeakers with different surrounds....

  2. White Dwarf Model Atmospheres: Synthetic Spectra for Super Soft Sources

    OpenAIRE

    Rauch, Thomas

    2011-01-01

    The T\\"ubingen NLTE Model-Atmosphere Package (TMAP) calculates fully metal-line blanketed white dwarf model atmospheres and spectral energy distributions (SEDs) at a high level of sophistication. Such SEDs are easily accessible via the German Astrophysical Virtual Observatory (GAVO) service TheoSSA. We discuss applications of TMAP models to (pre) white dwarfs during the hottest stages of their stellar evolution, e.g. in the parameter range of novae and super soft sources.

  3. White Dwarf Model Atmospheres: Synthetic Spectra for Supersoft Sources

    Science.gov (United States)

    Rauch, Thomas

    2013-01-01

    The Tübingen NLTE Model-Atmosphere Package (TMAP) calculates fully metal-line blanketed white dwarf model atmospheres and spectral energy distributions (SEDs) at a high level of sophistication. Such SEDs are easily accessible via the German Astrophysical Virtual Observatory (GAVO) service TheoSSA. We discuss applications of TMAP models to (pre) white dwarfs during the hottest stages of their stellar evolution, e.g. in the parameter range of novae and supersoft sources.

  4. Modelling telluric line spectra in the optical and infrared with an application to VLT/X-Shooter spectra

    Science.gov (United States)

    Rudolf, N.; Günther, H. M.; Schneider, P. C.; Schmitt, J. H. M. M.

    2016-01-01

    Context. Earth's atmosphere imprints a large number of telluric absorption and emission lines on astronomical spectra, especially in the near infrared, that need to be removed before analysing the affected wavelength regions. Aims: These lines are typically removed by comparison to A- or B-type stars used as telluric standards that themselves have strong hydrogen lines, which complicates the removal of telluric lines. We have developed a method to circumvent that problem. Methods: For our IDL software package tellrem we used a recent approach to model telluric absorption features with the line-by-line radiative transfer model (LBLRTM). The broad wavelength coverage of the X-Shooter at VLT allows us to expand their technique by determining the abundances of the most important telluric molecules H2O, O2, CO2, and CH4 from sufficiently isolated line groups. For individual observations we construct a telluric absorption model for most of the spectral range that is used to remove the telluric absorption from the object spectrum. Results: We remove telluric absorption from both continuum regions and emission lines without systematic residuals for most of the processable spectral range; however, our method increases the statistical errors. The errors of the corrected spectrum typically increase by 10% for S/N ~ 10 and by a factor of two for high-quality data (S/N ~ 100), I.e. the method is accurate on the percent level. Conclusions: Modelling telluric absorption can be an alternative to the observation of standard stars for removing telluric contamination. Based on observations collected at the European Southern Observatory, Paranal, Chile, 085.C-0764(A) and 60.A-9022(C).The tellrem package is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/585/A113

  5. Spectra of Anderson type models with decaying randomness

    Indian Academy of Sciences (India)

    Springer Verlag Heidelberg #4 2048 1996 Dec 15 10:16:45

    Our models include potentials decaying in all directions in which case ..... the free operators with some uniform bounds of low moments of the measure µ weighted ..... We have the following inequality coming out of Cauchy–Schwarz and Fubini, ... The required statement on the limit follows if we now show that the quantity in ...

  6. Scale-invariant inclusive spectra in a dual model

    International Nuclear Information System (INIS)

    Chikovani, Z.E.; Jenkovsky, L.L.; Martynov, E.S.

    1979-01-01

    One-particle inclusive distributions at large transverse momentum phisub(tr) are shown to scale, Edσ/d 3 phi approximately phisub(tr)sup(-N)(1-Xsub(tr))sup(1+N/2)lnphisub(tr), in a dual model with Mandelstam analyticity if the Regge trajectories are logarithmic asymptotically

  7. Theoretical modeling of infrared spectra of twinned lead zirconate

    Czech Academy of Sciences Publication Activity Database

    Dočekalová, Zuzana; Pasciak, Marek; Hlinka, Jiří

    2017-01-01

    Roč. 90, č. 1 (2017), s. 17-23 ISSN 0141-1594 R&D Projects: GA ČR GA15-04121S Institutional support: RVO:68378271 Keywords : domains * IR spectroscopy * dielectric permittivity * lead zirconate * shell model * Born effective charge Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.060, year: 2016

  8. Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra

    Czech Academy of Sciences Publication Activity Database

    Hopmann, K. H.; Ruud, K.; Pecul, M.; Kudelski, A.; Dračínský, Martin; Bouř, Petr

    2011-01-01

    Roč. 115, č. 14 (2011), s. 4128-4137 ISSN 1520-6106 R&D Projects: GA MŠk(CZ) LH11033; GA ČR GAP208/11/0105 Grant - others:AV ČR(CZ) M200550902 Institutional research plan: CEZ:AV0Z40550506 Keywords : raman optical activity * lactamide * solvent models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.696, year: 2011

  9. Finite-volume spectra of the Lee-Yang model

    Energy Technology Data Exchange (ETDEWEB)

    Bajnok, Zoltan [MTA Lendület Holographic QFT Group, Wigner Research Centre for Physics,H-1525 Budapest 114, P.O.B. 49 (Hungary); Deeb, Omar el [MTA Lendület Holographic QFT Group, Wigner Research Centre for Physics,H-1525 Budapest 114, P.O.B. 49 (Hungary); Physics Department, Faculty of Science, Beirut Arab University (BAU),Beirut (Lebanon); Pearce, Paul A. [School of Mathematics and Statistics, University of Melbourne,Parkville, Victoria 3010 (Australia)

    2015-04-15

    We consider the non-unitary Lee-Yang minimal model M(2,5) in three different finite geometries: (i) on the interval with integrable boundary conditions labelled by the Kac labels (r,s)=(1,1),(1,2), (ii) on the circle with periodic boundary conditions and (iii) on the periodic circle including an integrable purely transmitting defect. We apply φ{sub 1,3} integrable perturbations on the boundary and on the defect and describe the flow of the spectrum. Adding a Φ{sub 1,3} integrable perturbation to move off-criticality in the bulk, we determine the finite size spectrum of the massive scattering theory in the three geometries via Thermodynamic Bethe Ansatz (TBA) equations. We derive these integral equations for all excitations by solving, in the continuum scaling limit, the TBA functional equations satisfied by the transfer matrices of the associated A{sub 4} RSOS lattice model of Forrester and Baxter in Regime III. The excitations are classified in terms of (m,n) systems. The excited state TBA equations agree with the previously conjectured equations in the boundary and periodic cases. In the defect case, new TBA equations confirm previously conjectured transmission factors.

  10. Geometric singularities and spectra of Landau-Ginzburg models

    International Nuclear Information System (INIS)

    Greene, B.R.; Roan, S.S.; Yau, S.T.

    1991-01-01

    Some mathematical and physical aspects of superconformal string compactification in weighted projective space are discussed. In particular, we recast the path integral argument establishing the connection between Landau-Ginsburg conformal theories and Calabi-Yau string compactification in a geometric framework. We then prove that the naive expression for the vanishing of the first Chern class for a complete intersection (adopted from the smooth case) is sufficient to ensure that the resulting variety, which is generically singular, can be resolved to a smooth Calabi-Yau space. This justifies much analysis which has recently been expended on the study of Landau-Ginzburg models. Furthermore, we derive some simple formulae for the determination of the Witten index in these theories which are complementary to those derived using semiclassical reasoning by Vafa. Finally, we also comment on the possible geometrical significance of unorbifolded Landau-Ginzburg theories. (orig.)

  11. [Analysis of the stability and adaptability of near infrared spectra qualitative analysis model].

    Science.gov (United States)

    Cao, Wu; Li, Wei-jun; Wang, Ping; Zhang, Li-ping

    2014-06-01

    The stability and adaptability of model of near infrared spectra qualitative analysis were studied. Method of separate modeling can significantly improve the stability and adaptability of model; but its ability of improving adaptability of model is limited. Method of joint modeling can not only improve the adaptability of the model, but also the stability of model, at the same time, compared to separate modeling, the method can shorten the modeling time, reduce the modeling workload; extend the term of validity of model, and improve the modeling efficiency. The experiment of model adaptability shows that, the correct recognition rate of separate modeling method is relatively low, which can not meet the requirements of application, and joint modeling method can reach the correct recognition rate of 90%, and significantly enhances the recognition effect. The experiment of model stability shows that, the identification results of model by joint modeling are better than the model by separate modeling, and has good application value.

  12. Excitation spectra of an effective d-wave model for cuprate superconductivity

    NARCIS (Netherlands)

    Yamaguchi, M; Ohta, Y; Eder, R

    An exact-diagonalization technique on finite-size clusters is used to study the ground states and some excitation spectra of the two-dimensional effective Fermi-liquid model derived from numerical studies of the t-J model. We show that there is actually a reasonable range of parameter values where

  13. The geometric content of the interacting boson model for molecular spectra

    International Nuclear Information System (INIS)

    Levit, S.; Smilansky, U.

    1981-12-01

    The recently proposed algebraic model for collective spectra of diatomic molecules is analysed in terms of conventional geometrical degrees of freedom. We present a mapping of the algebraic Hamiltonian onto an exactly solvable geometrical Hamiltonian with the Morse potential. This mapping explains the success of the algebraic model in reproducing the low lying part of molecular spectra. At the same time the mapping shows that the expression for the dipole transition operator in terms of boson operators differs from the simplest IBM expression and in general must include many-body boson terms. The study also provides an insight into the problem of possible interpretations of the bosons in the nuclear IBM. (author)

  14. Calculations of the energy spectra of Zn, Ga and Ge isotopes by the shell model

    International Nuclear Information System (INIS)

    Sakakura, M.; Shikata, Y.; Arima, A.; Sebe, T.

    1979-01-01

    The effective Hamiltonian which was determined empirically by Koops and Glaudemans is tested in shell model calculations for the 65-68 Zn, 67-69 Ga, and 68-70 Ge nuclei in the full (1p 3 / 2 , 0f 5 / 2 , 1p 1 / 2 )n space. The resulting energy spectra are compared with the experimental spectra and results of previous calculations. The overall agreement with experiment is as satisfactory for these nuclei as for the Ni and Cu isotopes, by which the Hamiltonian was determined. It is noticed that the spectra of 67 Zn and 67 , 69 Ga calculated in this work are similar to those provided by the Alaga model. (orig.) [de

  15. Atomic physics modeling of transmission spectra of Sc-doped aerogel foams to support OMEGA experiments

    Energy Technology Data Exchange (ETDEWEB)

    Johns, H. M., E-mail: hjohns@lanl.gov; Lanier, N. E.; Kline, J. L.; Fontes, C. J.; Perry, T. S.; Fryer, C. L.; Sherrill, M. E. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87544 (United States); Brown, C. R. D.; Morton, J. W. [AWE Aldermaston, Berkshire, Reading RG7 4PR (United Kingdom); Hager, J. D. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87544 (United States); Lockheed-Martin, 497 Electronics Parkway, Syracuse, New York 13221 (United States)

    2016-11-15

    We present synthetic transmission spectra generated with PrismSPECT utilizing both the ATBASE model and the Los Alamos opacity library (OPLIB) to evaluate whether an alternative choice in atomic data will impact modeling of experimental data from radiation transport experiments using Sc-doped aerogel foams (ScSi{sub 6}O{sub 12} at 75 mg/cm{sup 3} density). We have determined that in the 50-200 eV T{sub e} range there is a significant difference in the 1s-3p spectra, especially below 100 eV, and for T{sub e} = 200 eV above 5000 eV in photon energy. Examining synthetic spectra generated using OPLIB with 300 resolving power reveals spectral sensitivity to T{sub e} changes of ∼3 eV.

  16. Drag Coefficient Comparisons Between Observed and Model Simulated Directional Wave Spectra Under Hurricane Conditions

    Science.gov (United States)

    2016-04-19

    the Wave Model (WAM; Hasselmann t al., 1988 ), and Simulating Waves Nearshore ( SWAN ; Booij et al., 999...of the circle represents the maximum wind speed of the hurricane. The black lines in the vicinity of the hurricane track represent the aircraft...contour maps and black contour lines for the model spec- ra at the same location. Then, the model spectra energy exceeds RA pk are plotted as

  17. Sulfur Speciation of Crude Oils by Partial Least Squares Regression Modeling of Their Infrared Spectra

    NARCIS (Netherlands)

    de Peinder, P.; Visser, T.; Wagemans, R.W.P.; Blomberg, J.; Chaabani, H.; Soulimani, F.; Weckhuysen, B.M.

    2013-01-01

    Research has been carried out to determine the feasibility of partial least-squares regression (PLS) modeling of infrared (IR) spectra of crude oils as a tool for fast sulfur speciation. The study is a continuation of a previously developed method to predict long and short residue properties of

  18. Model-independent separation of poorly resolved hypperfine split spectra by a linear combination method

    International Nuclear Information System (INIS)

    Nagy, D.L.; Dengler, J.; Ritter, G.

    1988-01-01

    A model-independent evaluation of the components of poorly resolved Moessbauer spectra based on a linear combination method is possible if there is a parameter as a function of which the shape of the individual components do not but their intensities do change and the dependence of the intensities on this parameter is known. The efficiency of the method is demonstrated on the example of low temperature magnetically split spectra of the high-T c superconductor YBa 2 (Cu 0.9 Fe 0 .1 ) 3 O 7-y . (author)

  19. Ionization potential depression and optical spectra in a Debye plasma model

    Science.gov (United States)

    Lin, Chengliang; Röpke, Gerd; Reinholz, Heidi; Kraeft, Wolf-Dietrich

    2017-11-01

    We show how optical spectra in dense plasmas are determined by the shift of energy levels as well as the broadening owing to collisions with the plasma particles. In lowest approximation, the interaction with the plasma particles is described by the RPA dielectric function, leading to the Debye shift of the continuum edge. The bound states remain nearly un-shifted, their broadening is calculated in Born approximation. The role of ionization potential depression as well as the Inglis-Teller effect are shown. The model calculations have to be improved going beyond the lowest (RPA) approximation when applying to WDM spectra.

  20. Predictive modelling of the dielectric response of plasmonic substrates: application to the interpretation of ellipsometric spectra

    Science.gov (United States)

    Pugliara, A.; Bayle, M.; Bonafos, C.; Carles, R.; Respaud, M.; Makasheva, K.

    2018-03-01

    A predictive modelling of plasmonic substrates appropriate to read ellipsometric spectra is presented in this work. We focus on plasmonic substrates containing a single layer of silver nanoparticles (AgNPs) embedded in silica matrices. The model uses the Abeles matrix formalism and is based on the quasistatic approximation of the classical Maxwell-Garnett mixing rule, however accounting for the electronic confinement effect through the damping parameter. It is applied on samples elaborated by: (i) RF-diode sputtering followed by Plasma Enhanced Chemical Vapor Deposition (PECVD) and (ii) Low Energy Ion Beam Synthesis (LE-IBS), and represents situations with increasing degree of complexity that can be accounted for by the model. It allows extraction of the main characteristics of the AgNPs population: average size, volume fraction and distance of the AgNPs layer from the matrix free surface. Model validation is achieved through comparison with results obtained from transmission electron microscopy approving for its applicability. The advantages and limitations of the proposed model are discussed after eccentricity-based statistical analysis along with further developments related to the quality of comparison between the model-generated spectra and the experimentally-recorded ellipsometric spectra.

  1. Analytical Model of Doppler Spectra of Light Backscattered from Rotating Convex Bodies of Revolution in the Global Cartesian Coordinate System

    International Nuclear Information System (INIS)

    Yan-Jun, Gong; Zhen-Sen, Wu; Jia-Ji, Wu

    2009-01-01

    We present an analytical model of Doppler spectra in backscattering from arbitrary rough convex bodies of revolution rotating around their axes in the global Cartesian coordinate system. This analytical model is applied to analyse Doppler spectra in backscatter from two cones and two cylinders, as well as two ellipsoids of revolution. We numerically analyse the influences of attitude and geometry size of objects on Doppler spectra. The analytical model can give contribution of the surface roughness, attitude and geometry size of convex bodies of revolution to Doppler spectra and may contribute to laser Doppler velocimetry as well as ladar applications

  2. A library of ATMO forward model transmission spectra for hot Jupiter exoplanets

    Science.gov (United States)

    Goyal, Jayesh M.; Mayne, Nathan; Sing, David K.; Drummond, Benjamin; Tremblin, Pascal; Amundsen, David S.; Evans, Thomas; Carter, Aarynn L.; Spake, Jessica; Baraffe, Isabelle; Nikolov, Nikolay; Manners, James; Chabrier, Gilles; Hebrard, Eric

    2018-03-01

    We present a grid of forward model transmission spectra, adopting an isothermal temperature-pressure profile, alongside corresponding equilibrium chemical abundances for 117 observationally significant hot exoplanets (equilibrium temperatures of 547-2710 K). This model grid has been developed using a 1D radiative-convective-chemical equilibrium model termed ATMO, with up-to-date high-temperature opacities. We present an interpretation of observations of 10 exoplanets, including best-fitting parameters and χ2 maps. In agreement with previous works, we find a continuum from clear to hazy/cloudy atmospheres for this sample of hot Jupiters. The data for all the 10 planets are consistent with subsolar to solar C/O ratio, 0.005 to 10 times solar metallicity and water rather than methane-dominated infrared spectra. We then explore the range of simulated atmospheric spectra for different exoplanets, based on characteristics such as temperature, metallicity, C/O ratio, haziness and cloudiness. We find a transition value for the metallicity between 10 and 50 times solar, which leads to substantial changes in the transmission spectra. We also find a transition value of C/O ratio, from water to carbon species dominated infrared spectra, as found by previous works, revealing a temperature dependence of this transition point ranging from ˜0.56 to ˜1-1.3 for equilibrium temperatures from ˜900 to ˜2600 K. We highlight the potential of the spectral features of HCN and C2H2 to constrain the metallicities and C/O ratios of planets, using James Webb Space Telescope (JWST) observations. Finally, our entire grid (˜460 000 simulations) is publicly available and can be used directly with the JWST simulator PandExo for planning observations.

  3. A Library of ATMO Forward Model Transmission Spectra for Hot Jupiter Exoplanets

    Science.gov (United States)

    Goyal, Jayesh M.; Mayne, Nathan; Sing, David K.; Drummond, Benjamin; Tremblin, Pascal; Amundsen, David S.; Evans, Thomas; Carter, Aarynn L.; Spake, Jessica; Baraffe, Isabelle; hide

    2017-01-01

    We present a grid of forward model transmission spectra, adopting an isothermal temperature-pressure profile, alongside corresponding equilibrium chemical abundances for 117 observationally significant hot exoplanets (equilibrium temperatures of 547-2710 K). This model grid has been developed using a 1D radiative-convective-chemical equilibrium model termed ATMO, with up-to-date high-temperature opacities. We present an interpretation of observations of 10 exoplanets, including best-fitting parameters and X(exp 2) maps. In agreement with previous works, we find a continuum from clear to hazy/cloudy atmospheres for this sample of hot Jupiters. The data for all the 10 planets are consistent with subsolar to solar C/O ratio, 0.005 to 10 times solar metallicity and water rather than methane-dominated infrared spectra. We then explore the range of simulated atmospheric spectra for different exoplanets, based on characteristics such as temperature, metallicity, C/O ratio, haziness and cloudiness. We find a transition value for the metallicity between 10 and 50 times solar, which leads to substantial changes in the transmission spectra. We also find a transition value of C/O ratio, from water to carbon species dominated infrared spectra, as found by previous works, revealing a temperature dependence of this transition point ranging from approximately 0.56 to approximately 1-1.3 for equilibrium temperatures from approximately 900 to approximately 2600 K. We highlight the potential of the spectral features of HCN and C2H2 to constrain the metallicities and C/O ratios of planets, using James Webb Space Telescope (JWST) observations. Finally, our entire grid (approximately 460 000 simulations) is publicly available and can be used directly with the JWST simulator PandExo for planning observations.

  4. Optimization of tungsten x-ray spectra for digital mammography: a comparison of model to experiment

    Science.gov (United States)

    Andre, Michael P.; Spivey, Brett A.

    1997-05-01

    Tungsten (W) target x-rays tubes are being studied for use in digital mammography to improve x-ray flux, reduce noise and increase tube heat capacity. A parametric model was developed for digital mammography to evaluate optimization of x-ray spectra for a particular sensor. The model computes spectra and mean glandular doses (MGD) for combinations of W target, beam filters, kVp, breast type and thickness. Two figures of merit were defined: (signal/noise)2/MGD and spectral quantum efficiency; these were computed as a means to approach optimization of object contrast. The model is derived from a combination of classic equations, XCOM from NBS, and published data. X-ray spectra were calculated and measured for filters of Al, Sn, Rh, Mo and Ag on a Eureka tube. (Signal/noise)2/MGD was measured for a filtered W target tube and a digital camera employing CsI scintillator optically coupled to a CCD for which the detective quantum efficiency (DQE) was known. A 3-mm thick acrylic disk was imaged on thickness of 3-8 cm of acrylic and the results were compared to the predictions of the model. The relative error between predicted and measured spectra was +/- 2 percent from 24 to 34 kVp. Calculated MGD as a function of breast thickness, half-value layer and beam filter compares very well to published data. Best performance was found for the following combinations: Mo filter with 30 mm breast, Ag filter with 45 mm, Sn filter for 60 mm, and Al filter for 75 mm thick breast. The parametric model agrees well with measurement and provides a means to explore optimum combinations of kVp and beam filter. For a particular detector, this data may be used with the DQE to estimate total system signal-to-noise ratio for a particular imaging task.

  5. Evaluation of the spectra of baryons containing two heavy quarks in a bag model

    International Nuclear Information System (INIS)

    He Daheng; Qian Ke; Ding Yibing; Li Xueqian; Shen Pengnian

    2004-01-01

    In this work, we evaluate the mass spectra of baryons which consist of two heavy quarks and one light quark in the MIT bag model. The two heavy quarks constitute a heavy scalar or axial-vector diquark. Concretely, we calculate the spectra of vertical bar q(QQ ' )> 1/2 and vertical bar q(QQ ' )> 3/2 where Q and Q ' stand for b and/or c quarks. Especially, for vertical bar q(bc)> 1/2 there can be a mixing between vertical bar q(bc) 0 > 1/2 and vertical bar q(bc) 1 > 1/2 where the subscripts 0 and 1 refer to the spin state of the diquark (bc), the mixing is not calculable in the framework of quantum mechanics as the potential model is employed, but can be evaluated by the quantum field theory. Our numerical results indicate that the mixing is sizable

  6. Spectra of nuclei 9Be and 9B in a three-cluster microscopic model

    International Nuclear Information System (INIS)

    Nesterov, A.V.; Vasilevsky, V.S.; Kovalenko, T.P.

    2012-01-01

    Within a microscopic three-cluster α + α + n(p) model, which is a three-cluster version of the algebraic approach to the Resonating Group Method (RGM), we consider the spectra of the low-lying states of mirror nuclei 9 Be and 9 B in the energy range from zero to 5 MeV excitation. The obtained theoretical results are compared with the available experimental data

  7. Computer model for calculating gamma-ray pulse-height spectra for logging applications

    International Nuclear Information System (INIS)

    Evans, M.L.

    1981-01-01

    A generalized computer model has been devised to simulate the emission, transport, and detection of natural gamma radiation from various logging environments. The model yields high-resolution gamma-ray pulse-height spectra that can be used to correct both gross gamma and spectral gamma-ray logs. The technique can help provide corrections to airborne and surface radiometric survey logs for the effects of varying altitude, formation composition, and overburden. Applied to borehole logging, the model can yield estimates of the effects of varying borehole fluid and casing attenuations, as well as varying formation porosity and saturation

  8. Late time optical spectra from the /sup 56/Ni model for Type I supernovae

    Energy Technology Data Exchange (ETDEWEB)

    Axelrod, T.S.

    1980-07-01

    The hypothesis that the optical luminosity of Type I supernovae results from the radioactive decay of /sup 56/Ni synthesized and ejected by the explosion has been investigated by numerical simulation of the optical spectrum resulting from a homologously expanding shell composed initially of pure /sup 56/Ni core. This model, which neglects the effects of material external to the /sup 56/Ni core, is expected to provide a reasonable representation of the supernova at late times when the star is nearly transparent to optical photons. The numerical simulation determines the temperature, ionization state, and non-LTE level populations which result from energy deposition by the radioactive decay products of /sup 56/Ni and /sup 56/Co. The optical spectrum includes the effects of both allowed and forbidden lines. The optical spectra resulting from the simulation are found to be sensitive to the mass and ejection velocity of the /sup 56/Ni shell. A range of these parameters has been found which results in good agreement with the observed spectra of SN1972e over a considerable range of time. In particular, evidence for the expected decaying abundance of /sup 56/Co has been found in the spectra of SN1972e. These results are used to assess the validity of the /sup 56/Ni model and set limits on the mass and explosion mechanism of the Type I progenitor. The possibilities for improvement of the numerical model are discussed and future atomic data requirements defined.

  9. Generation of floor response spectra for a model structure of nuclear power plant

    International Nuclear Information System (INIS)

    Vaidyanathan, C.V.; Kamatchi, P.; Ravichandran, R.; Lakshmanan, N.

    2003-01-01

    The importance of Nuclear power plants and the consequences of a nuclear accident require that the nuclear structures be designed for the most severe environmental conditions. Earthquakes constitutes major design consideration for the system, structures and equipment of a nuclear power plant. The design of structures on ground is based on the ground response spectra. Many important parts of a nuclear power plant facility are attached to the principal parts of the structure and respond in a manner determined by the structural response rather than by the general ground motion to which the structure is supported. Hence the seismic response of equipment is generally based on the response spectrum of the floor on which it is mounted. In this paper such floor response spectra have been generated at different nodes of a chosen model structure of a nuclear power plant. In the present study a detailed nonlinear time history analysis has been carried out on the mathematical model of the chosen Nuclear Power Plant model structure with the spectrum compatible time history. The acceleration response results of the time history analysis has been used in the spectral analysis and the response spectra are generated. Further peak broadening has been done to account for uncertainties in the material properties and soil characteristics. (author)

  10. Late time optical spectra from the 56Ni model for Type I supernovae

    International Nuclear Information System (INIS)

    Axelrod, T.S.

    1980-07-01

    The hypothesis that the optical luminosity of Type I supernovae results from the radioactive decay of 56 Ni synthesized and ejected by the explosion has been investigated by numerical simulation of the optical spectrum resulting from a homologously expanding shell composed initially of pure 56 Ni core. This model, which neglects the effects of material external to the 56 Ni core, is expected to provide a reasonable representation of the supernova at late times when the star is nearly transparent to optical photons. The numerical simulation determines the temperature, ionization state, and non-LTE level populations which result from energy deposition by the radioactive decay products of 56 Ni and 56 Co. The optical spectrum includes the effects of both allowed and forbidden lines. The optical spectra resulting from the simulation are found to be sensitive to the mass and ejection velocity of the 56 Ni shell. A range of these parameters has been found which results in good agreement with the observed spectra of SN1972e over a considerable range of time. In particular, evidence for the expected decaying abundance of 56 Co has been found in the spectra of SN1972e. These results are used to assess the validity of the 56 Ni model and set limits on the mass and explosion mechanism of the Type I progenitor. The possibilities for improvement of the numerical model are discussed and future atomic data requirements defined

  11. Deconvolution of Complex 1D NMR Spectra Using Objective Model Selection.

    Directory of Open Access Journals (Sweden)

    Travis S Hughes

    Full Text Available Fluorine (19F NMR has emerged as a useful tool for characterization of slow dynamics in 19F-labeled proteins. One-dimensional (1D 19F NMR spectra of proteins can be broad, irregular and complex, due to exchange of probe nuclei between distinct electrostatic environments; and therefore cannot be deconvoluted and analyzed in an objective way using currently available software. We have developed a Python-based deconvolution program, decon1d, which uses Bayesian information criteria (BIC to objectively determine which model (number of peaks would most likely produce the experimentally obtained data. The method also allows for fitting of intermediate exchange spectra, which is not supported by current software in the absence of a specific kinetic model. In current methods, determination of the deconvolution model best supported by the data is done manually through comparison of residual error values, which can be time consuming and requires model selection by the user. In contrast, the BIC method used by decond1d provides a quantitative method for model comparison that penalizes for model complexity helping to prevent over-fitting of the data and allows identification of the most parsimonious model. The decon1d program is freely available as a downloadable Python script at the project website (https://github.com/hughests/decon1d/.

  12. Modeling of aircraft exhaust emissions and infrared spectra for remote measurement of nitrogen oxides

    Directory of Open Access Journals (Sweden)

    K. Beier

    Full Text Available Infrared (IR molecular spectroscopy is proposed to perform remote measurements of NOx concentrations in the exhaust plume and wake of aircraft. The computer model NIRATAM is applied to simulate the physical and chemical properties of the exhaust plume and to generate low resolution IR spectra and synthetical thermal images of the aircraft in its natural surroundings. High-resolution IR spectra of the plume, including atmospheric absorption and emission, are simulated using the molecular line-by-line radiation model FASCODE2. Simulated IR spectra of a Boeing 747-400 at cruising altitude for different axial and radial positions in the jet region of the exhaust plume are presented. A number of spectral lines of NO can be identified that can be discriminated from lines of other exhaust gases and the natural atmospheric background in the region around 5.2 µm. These lines can be used to determine NO concentration profiles in the plume. The possibility of measuring nitrogen dioxide NO2 is also discussed briefly, although measurements turn out to be substantially less likely than those of NO. This feasibility study compiles fundamental data for the optical and radiometric design of an airborne Fourier transform spectrometer and the preparation of in-flight measurements for monitoring of aircraft pollutants.

  13. Modeling of aircraft exhaust emissions and infrared spectra for remote measurement of nitrogen oxides

    Directory of Open Access Journals (Sweden)

    K. Beier

    1994-08-01

    Full Text Available Infrared (IR molecular spectroscopy is proposed to perform remote measurements of NOx concentrations in the exhaust plume and wake of aircraft. The computer model NIRATAM is applied to simulate the physical and chemical properties of the exhaust plume and to generate low resolution IR spectra and synthetical thermal images of the aircraft in its natural surroundings. High-resolution IR spectra of the plume, including atmospheric absorption and emission, are simulated using the molecular line-by-line radiation model FASCODE2. Simulated IR spectra of a Boeing 747-400 at cruising altitude for different axial and radial positions in the jet region of the exhaust plume are presented. A number of spectral lines of NO can be identified that can be discriminated from lines of other exhaust gases and the natural atmospheric background in the region around 5.2 µm. These lines can be used to determine NO concentration profiles in the plume. The possibility of measuring nitrogen dioxide NO2 is also discussed briefly, although measurements turn out to be substantially less likely than those of NO. This feasibility study compiles fundamental data for the optical and radiometric design of an airborne Fourier transform spectrometer and the preparation of in-flight measurements for monitoring of aircraft pollutants.

  14. De Novo Assembly of Complete Chloroplast Genomes from Non-model Species Based on a K-mer Frequency-Based Selection of Chloroplast Reads from total DNA Sequences.

    NARCIS (Netherlands)

    Izan, Shairul; Esselink, G.; Visser, R.G.F.; Smulders, M.J.M.; Borm, T.J.A.

    2017-01-01

    Whole Genome Shotgun (WGS) sequences of plant species often contain an abundance of reads that are derived from the chloroplast genome. Up to now these reads have generally been identified and assembled into chloroplast genomes based on homology to chloroplasts from related species. This

  15. Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians.

    Science.gov (United States)

    Ghosh, Soumen; Andersen, Amity; Gagliardi, Laura; Cramer, Christopher J; Govind, Niranjan

    2017-09-12

    We present an implementation of a time-dependent semiempirical method (INDO/S) in NWChem using real-time (RT) propagation to address, in principle, the entire spectrum of valence electronic excitations. Adopting this model, we study the UV/vis spectra of medium-sized systems such as P3B2 and f-coronene, and in addition much larger systems such as ubiquitin in the gas phase and the betanin chromophore in the presence of two explicit solvents (water and methanol). RT-INDO/S provides qualitatively and often quantitatively accurate results when compared with RT- TDDFT or experimental spectra. Even though we only consider the INDO/S Hamiltonian in this work, our implementation provides a framework for performing electron dynamics in large systems using semiempirical Hartree-Fock Hamiltonians in general.

  16. Thermal Infrared Spectra of a Suite of Forsterite Samples and Ab-initio Modelling of theirs Spectra

    Science.gov (United States)

    Maturilli, A.; Stangarone, C.; Helbert, J.; Tribaudino, M.; Prencipe, M.

    2017-12-01

    Forsterite is the dominating component in olivine, a major constituent in ultrafemic rocks, as well as planetary bodies. Messenger X-ray spectrometer has shown that Mg-rich silicate minerals, such as enstatite and forsterite, dominate Mercury's surface (Weider et al 2012). A careful and detailed acquaintance with the forsterite spectral features and their dependence wrt environmental conditions on Mercury is needed to interpret the remote sensing data from previous and forthcoming missions. We propose an experimental vs calculation approach to reproduce and describe the spectral features of forsterite. TIR emissivity measurements are performed by the Planetary Spectroscopy Laboratory (PSL) of DLR. PSL offers the unique capability to measure the emissivity of samples at temperature up to 1000K under vacuum conditions. TIR emissivity and reflectance measurements are performed on 11 olivine samples having a different composition within the forsterite-fayalite series. When available, the sample has been measured in 2 different grain sizes (chameleon-like effects of Mercury surface already observed (Helbert et al. 2013), this study wants to point out the main spectral features due to the composition and temperature. Our results are used to create a theoretical background to interpret the high temperature infrared emissivity spectra from MERTIS onboard the ESA BepiColombo mission to Mercury (Helbert et al. 2010).

  17. Energy spectra of vibron and cluster models in molecular and nuclear systems

    Science.gov (United States)

    Jalili Majarshin, A.; Sabri, H.; Jafarizadeh, M. A.

    2018-03-01

    The relation of the algebraic cluster model, i.e., of the vibron model and its extension, to the collective structure, is discussed. In the first section of the paper, we study the energy spectra of vibron model, for diatomic molecule then we derive the rotation-vibration spectrum of 2α, 3α and 4α configuration in the low-lying spectrum of 8Be, 12C and 16O nuclei. All vibrational and rotational states with ground and excited A, E and F states appear to have been observed, moreover the transitional descriptions of the vibron model and α-cluster model were considered by using an infinite-dimensional algebraic method based on the affine \\widehat{SU(1,1)} Lie algebra. The calculated energy spectra are compared with experimental data. Applications to the rotation-vibration spectrum for the diatomic molecule and many-body nuclear clusters indicate that there are solvable models and they can be approximated very well using the transitional theory.

  18. CASTHY, Statistical Model for Neutron Cross-Sections and Gamma-Ray Spectra

    International Nuclear Information System (INIS)

    Igarasi, Sin-iti; Fukahori, Tokio

    1998-01-01

    Description of program or function: CASTHY calculates neutron cross sections of total, shape elastic scattering and compound nucleus formation with the optical model, and compound elastic, inelastic and capture cross sections by the statistical model. The other cross sections, such as (n,2n), (n,p), (n,f) reactions are treated as cross sections of competing processes, and their sum is given through input data. Capture gamma-ray spectra can also be calculated. The branching ratio for primary transition can be treated in a particular way, if required

  19. Influence of smoothing of X-ray spectra on parameters of calibration model

    International Nuclear Information System (INIS)

    Antoniak, W.; Urbanski, P.; Kowalska, E.

    1998-01-01

    Parameters of the calibration model before and after smoothing of X-ray spectra have been investigated. The calibration model was calculated using multivariate procedure - namely the partial least square regression (PLS). Investigations have been performed on an example of six sets of various standards used for calibration of some instruments based on X-ray fluorescence principle. The smoothing methods were compared: regression splines, Savitzky-Golay and Discrete Fourier Transform. The calculations were performed using a software package MATLAB and some home-made programs. (author)

  20. Retrieving CO concentrations from FT-IR spectra with nonmodeled interferences and fluctuating baselines using PCR model parameters

    DEFF Research Database (Denmark)

    Bak, J.

    2001-01-01

    It is demonstrated that good predictions of gas concentrations based on measured spectra can be made even if these spectra contain totally overlapping spectral features from nonidentified and non-modeled interfering compounds and fluctuating baselines. The prediction program (CONTOUR) is based...... solely on principal component regression (PCR) model parameters, CONTOUR consists of two smaller algorithms. The first of these is used to calculate pure component spectra based on the PCR model parameters at different concentrations. In the second algorithm, the calculated pure component spectra...... remains. The assumptions are that the background and analytical signals must be additive and that no accidental match between these signals takes place. The best results are obtained with the use of spectra with a high selectivity. The use of the program is demonstrated hg applying simple single...

  1. Identifying Student and Teacher Difficulties in Interpreting Atomic Spectra Using a Quantum Model of Emission and Absorption of Radiation

    Science.gov (United States)

    Savall-Alemany, Francisco; Domènech-Blanco, Josep Lluís; Guisasola, Jenaro; Martínez-Torregrosa, Joaquín

    2016-01-01

    Our study sets out to identify the difficulties that high school students, teachers, and university students encounter when trying to explain atomic spectra. To do so, we identify the key concepts that any quantum model for the emission and absorption of electromagnetic radiation must include to account for the gas spectra and we then design two…

  2. The effects of soil-structure interaction modeling techniques on in-structure response spectra

    International Nuclear Information System (INIS)

    Johnson, J.J.; Wesley, D.A.; Almajan, I.T.

    1977-01-01

    The structure considered for this investigation consisted of the reactor containment building (RCB) and prestressed concrete reactor vessel (PCRV) for a HTGR plant. A conventional lumped-mass dynamic model in three dimensions was used in the study. The horizontal and vertical response, which are uncoupled due to the symmetry of the structure, were determined for horizontal and vertical excitation. Five different site conditions ranging from competent rock to a soft soil site were considered. The simplified approach to the overall plant analysis utilized stiffness proportional composite damping with a limited amount of soil damping consistent with US NRC regulatory guidelines. Selected cases were also analyzed assuming a soil damping value approximating the theoretical value. The results from the simplified approach were compared to those determined by rigorously coupling the structure to a frequency independent half-space representation of the soil. Finally, equivalent modal damping ratios were found by matching the frequency response at a point within the coupled soil-structure system determined by solution of the coupled and uncoupled equations of motion. The basis for comparison of the aforementioned techniques was the response spectra at selected locations within the soil-structure system. Each of the five site conditions was analyzed and in-structure response spectra were generated. The response spectra were combined to form a design envelope which encompasses the entire range of site parameters. Both the design envelopes and the site-by-site results were compared

  3. A model study of tunneling conductance spectra of ferromagnetically ordered manganites

    Science.gov (United States)

    Panda, Saswati; Kar, J. K.; Rout, G. C.

    2018-02-01

    We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

  4. Discriminating model for diagnosis of basal cell carcinoma and melanoma in vitro based on the Raman spectra of selected biochemicals

    Science.gov (United States)

    Silveira, Landulfo; Silveira, Fabrício Luiz; Bodanese, Benito; Zângaro, Renato Amaro; Pacheco, Marcos Tadeu T.

    2012-07-01

    Raman spectroscopy has been employed to identify differences in the biochemical constitution of malignant [basal cell carcinoma (BCC) and melanoma (MEL)] cells compared to normal skin tissues, with the goal of skin cancer diagnosis. We collected Raman spectra from compounds such as proteins, lipids, and nucleic acids, which are expected to be represented in human skin spectra, and developed a linear least-squares fitting model to estimate the contributions of these compounds to the tissue spectra. We used a set of 145 spectra from biopsy fragments of normal (30 spectra), BCC (96 spectra), and MEL (19 spectra) skin tissues, collected using a near-infrared Raman spectrometer (830 nm, 50 to 200 mW, and 20 s exposure time) coupled to a Raman probe. We applied the best-fitting model to the spectra of biochemicals and tissues, hypothesizing that the relative spectral contribution of each compound to the tissue Raman spectrum changes according to the disease. We verified that actin, collagen, elastin, and triolein were the most important biochemicals representing the spectral features of skin tissues. A classification model applied to the relative contribution of collagen III, elastin, and melanin using Euclidean distance as a discriminator could differentiate normal from BCC and MEL.

  5. Model and measurements of linear mixing in thermal IR ground leaving radiance spectra

    Science.gov (United States)

    Balick, Lee; Clodius, William; Jeffery, Christopher; Theiler, James; McCabe, Matthew; Gillespie, Alan; Mushkin, Amit; Danilina, Iryna

    2007-10-01

    Hyperspectral thermal IR remote sensing is an effective tool for the detection and identification of gas plumes and solid materials. Virtually all remotely sensed thermal IR pixels are mixtures of different materials and temperatures. As sensors improve and hyperspectral thermal IR remote sensing becomes more quantitative, the concept of homogeneous pixels becomes inadequate. The contributions of the constituents to the pixel spectral ground leaving radiance are weighted by their spectral emissivities and their temperature, or more correctly, temperature distributions, because real pixels are rarely thermally homogeneous. Planck's Law defines a relationship between temperature and radiance that is strongly wavelength dependent, even for blackbodies. Spectral ground leaving radiance (GLR) from mixed pixels is temperature and wavelength dependent and the relationship between observed radiance spectra from mixed pixels and library emissivity spectra of mixtures of 'pure' materials is indirect. A simple model of linear mixing of subpixel radiance as a function of material type, the temperature distribution of each material and the abundance of the material within a pixel is presented. The model indicates that, qualitatively and given normal environmental temperature variability, spectral features remain observable in mixtures as long as the material occupies more than roughly 10% of the pixel. Field measurements of known targets made on the ground and by an airborne sensor are presented here and serve as a reality check on the model. Target spectral GLR from mixtures as a function of temperature distribution and abundance within the pixel at day and night are presented and compare well qualitatively with model output.

  6. A self-consistent model for the Galactic cosmic ray, antiproton and positron spectra

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    In this talk I will present the escape model of Galactic cosmic rays. This model explains the measured cosmic ray spectra of individual groups of nuclei from TeV to EeV energies. It predicts an early transition to extragalactic cosmic rays, in agreement with recent Auger data. The escape model also explains the soft neutrino spectrum 1/E^2.5 found by IceCube in concordance with Fermi gamma-ray data. I will show that within the same model one can explain the excess of positrons and antiprotons above 20 GeV found by PAMELA and AMS-02, the discrepancy in the slopes of the spectra of cosmic ray protons and heavier nuclei in the TeV-PeV energy range and the plateau in cosmic ray dipole anisotropy in the 2-50 TeV energy range by adding the effects of a 2 million year old nearby supernova.

  7. A model for quasi parity-doublet spectra with strong coriolis mixing

    International Nuclear Information System (INIS)

    Minkov, N.; Drenska, S.; Strecker, M.

    2013-01-01

    The model of coherent quadrupole and octupole motion (CQOM) is combined with the reflection-asymmetric deformed shell model (DSM) in a way allowing fully microscopic description of the Coriolis decoupling and K-mixing effects in the quasi parity-doublet spectra of odd-mass nuclei. In this approach the even-even core is considered within the CQOM model, while the odd nucleon is described within DSM with pairing interaction. The Coriolis decoupling/mixing factors are calculated through a parity-projection of the single-particle wave function. Expressions for the Coriolis mixed quasi parity-doublet levels are obtained in the second order of perturbation theory, while the K-mixed core plus particle wave function is obtained in the first order. Expressions for the B(E1), B(E2) and B(E3) reduced probabilities for transitions within and between different quasi-doublets are obtained by using the total K-mixed wave function. The model scheme is elaborated in a form capable of describing the yrast and non-yrast quasi parity-doublet spectra in odd-mass nuclei. (author)

  8. Forward Modeling of Reduced Power Spectra from Three-dimensional k-space

    Science.gov (United States)

    von Papen, Michael; Saur, Joachim

    2015-06-01

    We present results from a numerical forward model to evaluate one-dimensional reduced power spectral densities (PSDs) from arbitrary energy distributions in {\\boldsymbol{k}} -space. In this model, we can separately calculate the diagonal elements of the spectral tensor for incompressible axisymmetric turbulence with vanishing helicity. Given a critically balanced turbulent cascade with {{k}\\parallel }∼ k\\bot α and α \\lt 1, we explore the implications on the reduced PSD as a function of frequency. The spectra are obtained under the assumption of Taylor’s hypothesis. We further investigate the functional dependence of the spectral index κ on the field-to-flow angle θ between plasma flow and background magnetic field from MHD to electron kinetic scales. We show that critically balanced turbulence asymptotically develops toward θ-independent spectra with a slope corresponding to the perpendicular cascade. This occurs at a transition frequency {{f}2D}(L,α ,θ ), which is analytically estimated and depends on outer scale L, critical balance exponent α, and field-to-flow angle θ. We discuss anisotropic damping terms acting on the {\\boldsymbol{k}} -space distribution of energy and their effects on the PSD. Further, we show that the spectral anisotropies κ (θ ) as found by Horbury et al. and Chen et al. in the solar wind are in accordance with a damped critically balanced cascade of kinetic Alfvén waves. We also model power spectra obtained by Papen et al. in Saturn’s plasma sheet and find that the change of spectral indices inside 9 {{R}s} can be explained by damping on electron scales.

  9. Bayesian model comparison using Gauss approximation on multicomponent mass spectra from CH4 plasma

    International Nuclear Information System (INIS)

    Kang, H.D.; Dose, V.

    2004-01-01

    We performed Bayesian model comparison on mass spectra from CH4 rf process plasmas to detect radicals produced in the plasma. The key ingredient for its implementation is the high-dimensional evidence integral. We apply Gauss approximation to evaluate the evidence. The results were compared with those calculated by the thermodynamic integration method using Markov Chain Monte Carlo technique. In spite of very large difference in the computation time between two methods a very good agreement was obtained. Alternatively, a Monte Carlo integration method based on the approximated Gaussian posterior density is presented. Its applicability to the problem of mass spectrometry is discussed

  10. Calculational analysis of errors for various models of an experiment on measuring leakage neutron spectra

    International Nuclear Information System (INIS)

    Androsenko, A.A.; Androsenko, P.A.; Deeva, V.V.; Prokof'eva, Z.A.

    1990-01-01

    Analysis is made for the effect of mathematical model accuracy of the system concerned on the calculation results using the BRAND program system. Consideration is given to the impact of the following factors: accuracy of neutron source energy-angular characteristics description, various degrees of system geometry approximation, adequacy of Monte-Carlo method estimation to a real physical neutron detector. The calculation results analysis is made on the basis of the experiments on leakage neutron spectra measurement in spherical lead assemblies with the 14 MeV-neutron source in the centre. 4 refs.; 2 figs.; 10 tabs

  11. Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules

    International Nuclear Information System (INIS)

    Wang Feng; Ma Xiaoguang; Selvam, Lalitha; Gribakin, Gleb; Surko, Clifford M

    2012-01-01

    The Doppler-shift spectra of the γ-rays from positron annihilation in molecules were determined by using the momentum distribution of the annihilation electron–positron pair. The effect of the positron wavefunction on spectra was analysed in a recent paper (Green et al 2012 New J. Phys. 14 035021). In this companion paper, we focus on the dominant contribution to the spectra, which arises from the momenta of the bound electrons. In particular, we use computational quantum chemistry models (Hartree–Fock with two basis sets and density functional theory (DFT)) to calculate the wavefunctions of the bound electrons. Numerical results are presented for noble gases and small molecules such as H 2 , N 2 , O 2 , CH 4 and CF 4 . The calculations reveal relatively small effects on the Doppler-shift spectra from the level of inclusion of electron correlation energy in the models. For atoms, the difference in the full-width at half-maximum of the spectra obtained using the Hartree–Fock and DFT models does not exceed 2%. For molecules the difference can be much larger, reaching 8% for some molecular orbitals. These results indicate that the predicted positron annihilation spectra for molecules are generally more sensitive to inclusion of electron correlation energies in the quantum chemistry model than the spectra for atoms are. (paper)

  12. Fingerprints of a riming event on cloud radar Doppler spectra: observations and modeling

    Directory of Open Access Journals (Sweden)

    H. Kalesse

    2016-03-01

    Full Text Available Radar Doppler spectra measurements are exploited to study a riming event when precipitating ice from a seeder cloud sediment through a supercooled liquid water (SLW layer. The focus is on the "golden sample" case study for this type of analysis based on observations collected during the deployment of the Atmospheric Radiation Measurement Program's (ARM mobile facility AMF2 at Hyytiälä, Finland, during the Biogenic Aerosols – Effects on Clouds and Climate (BAECC field campaign. The presented analysis of the height evolution of the radar Doppler spectra is a state-of-the-art retrieval with profiling cloud radars in SLW layers beyond the traditional use of spectral moments. Dynamical effects are considered by following the particle population evolution along slanted tracks that are caused by horizontal advection of the cloud under wind shear conditions. In the SLW layer, the identified liquid peak is used as an air motion tracer to correct the Doppler spectra for vertical air motion and the ice peak is used to study the radar profiles of rimed particles. A 1-D steady-state bin microphysical model is constrained using the SLW and air motion profiles and cloud top radar observations. The observed radar moment profiles of the rimed snow can be simulated reasonably well by the model, but not without making several assumptions about the ice particle concentration and the relative role of deposition and aggregation. This suggests that in situ observations of key ice properties are needed to complement the profiling radar observations before process-oriented studies can effectively evaluate ice microphysical parameterizations.

  13. Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal

    Science.gov (United States)

    Ghalla, Houcine; Rekik, Najeh; Michta, Anna; Oujia, Brahim; Flakus, Henryk T.

    2010-01-01

    An extended quantum theoretical approach of the ν IR lineshape of cyclic dimers of weakly H-bonded species is proposed. We have extended a previous approach [M.E.-A. Benmalti, P. Blaise, H.T. Flakus, O. Henri-Rousseau, Chem. Phys. 320 (2006) 267] by accounting for the anharmonicity of the slow mode which is described by a "Morse" potential in order to reproduce the polarized infrared spectra of the hydrogen and deuterium bond in acetylsalicylic acid (aspirin) crystals. From comparison of polarized IR spectra of isotopically neat and isotopically diluted aspirin crystals it resulted that centrosymmetric aspirin dimer was the bearer of the crystal main spectral properties. In this approach, the adiabatic approximation is performed for each separate H-bond bridge of the dimer and a strong non-adiabatic correction is introduced into the model via the resonant exchange between the fast mode excited states of the two moieties. Within the strong anharmonic coupling theory, according to which the X-H→⋯Y high-frequency mode is anharmonically coupled to the H-bond bridge, this model incorporated the Davydov coupling between the excited states of the two moieties, the quantum direct and indirect dampings and the anharmonicity for the H-bond bridge. The spectral density is obtained within the linear response theory by Fourier transform of the damped autocorrelation functions. The evaluated spectra are in fairly good agreement with the experimental ones by using a minimum number of independent parameters. The effect of deuteration has been well reproduced by reducing simply the angular frequency of the fast mode and the anharmonic coupling parameter.

  14. Modeling X-ray Spectra of Astrophysical Plasmas: Current Status and Future Needs

    Science.gov (United States)

    Smith, Randall

    Existing high-resolution astrophysical X-ray spectra has exposed the need for high-quality atomic data of all stripes: wavelengths, collisional and absorption cross sections, and radiative rates. The Astro-H soft X-ray spectrometer (2015 launch) will vastly increase the number and type of high-resolution X-ray spectra available and likely expose a number of shortcomings in our models. I will describe recent advances in theoretical calculations and laboratory measurements, as well as a number of existing needs in the field. These include accurate soft X-ray wavelengths for L-shell ions, diagnostic emission line ratios with estimated error bars, and high-resolution absorption cross sections for abundant ions and molecules. Finally, new models of emission from non-equilibrium ionization plasmas and astrophysical charge exchange will be discussed. This latter emission arises due to the interaction of highly charged ions with neutral atoms, forming a diffuse background in the case of solar wind ions and possibly also arising in more distant environments.

  15. Spectra and neutron dose of an 18 MV Linac using two geometric models of the head

    International Nuclear Information System (INIS)

    Barrera, M. T.; Pino, F.; Barros, H.; Sajo-Bohus, L.; Davila, J.; Salcedo, E.; Vega C, H. R.; Benites R, J. L.

    2015-10-01

    Full text: Using the Monte Carlo method, by MCNP5 code, simulations were performed with different source terms and 2 geometric models of the head to obtain spectra in energy, flow and doses of photo-neutrons at different positions on the stretcher and in the radiotherapy room. The simplest model was a spherical shell of tungsten; the second was the complete model of a heterogeneous head of an accelerator Varian ix. In both models Tosi function was used as a source term. In addition, for the second model Sheikh-Bagheri distribution was used for photons and photo-neutrons were generated. Also in both models the radiotherapy room of Gurve group of the Teaching Medical Center La Trinidad was included, which is equipped with an accelerator Varian Clinic 2100. In this Center passive detectors PADC (Cr-39) were irradiated with neutron converters, with 18 MeV photons radiation. The measured neutron flow was compared with that obtained with Monte Carlo calculations. The Monte Carlo flows are similar to those measured at the isocenter. The simplest model underestimates the neutron flow compared with the calculated flows with the heterogeneous model of the head. (Author)

  16. Radiative-Transfer Modeling of Spectra of Densely Packed Particulate Media

    Science.gov (United States)

    Ito, G.; Mishchenko, M. I.; Glotch, T. D.

    2017-12-01

    Remote sensing measurements over a wide range of wavelengths from both ground- and space-based platforms have provided a wealth of data regarding the surfaces and atmospheres of various solar system bodies. With proper interpretations, important properties, such as composition and particle size, can be inferred. However, proper interpretation of such datasets can often be difficult, especially for densely packed particulate media with particle sizes on the order of wavelength of light being used for remote sensing. Radiative transfer theory has often been applied to the study of densely packed particulate media like planetary regoliths and snow, but with difficulty, and here we continue to investigate radiative transfer modeling of spectra of densely packed media. We use the superposition T-matrix method to compute scattering properties of clusters of particles and capture the near-field effects important for dense packing. Then, the scattering parameters from the T-matrix computations are modified with the static structure factor correction, accounting for the dense packing of the clusters themselves. Using these corrected scattering parameters, reflectance (or emissivity via Kirchhoff's Law) is computed with the method of invariance imbedding solution to the radiative transfer equation. For this work we modeled the emissivity spectrum of the 3.3 µm particle size fraction of enstatite, representing some common mineralogical and particle size components of regoliths, in the mid-infrared wavelengths (5 - 50 µm). The modeled spectrum from the T-matrix method with static structure factor correction using moderate packing densities (filling factors of 0.1 - 0.2) produced better fits to the laboratory measurement of corresponding spectrum than the spectrum modeled by the equivalent method without static structure factor correction. Future work will test the method of the superposition T-matrix and static structure factor correction combination for larger particles

  17. Fast forward modeling of Titan’s infrared spectra to invert VIMS/CASSINI hyperspectral images

    Science.gov (United States)

    Rodriguez, S.; Le Mouélic, S.; Rannou, P.; Combe, J.; Le Corre, L.; Griffith, C. A.; Tobie, G.; Barnes, J. W.; Sotin, C.; Brown, R. H.; Baines, K. H.; Buratti, B. J.; Clark, R. N.

    2009-12-01

    The surface of Titan, the largest icy moon of Saturn, is veiled by a very thick and hazy atmosphere. The Visual and Infrared Mapping Spectrometer onboard the Cassini spacecraft, in orbit around Saturn since July 2004, has been conducting an intensive survey of Titan with the objective of understanding the complex nature and interaction of the atmosphere and surface of this mysterious moon. Retrieving and separating contributions from the surface and the atmosphere in Titan’s infrared spectra requires accurate radiative transfer modeling, which is often very demanding of computer resources. As Cassini has gathered hitherto millions of spectra of Titan and will continue to observe it until at least 2010, we report here on the development of a new rapid, simple and versatile radiative transfer model specially designed to process VIMS datacubes. Currently, our model accounts for gas absorption, haze scattering and surface reflectance and can be implemented in an inversion scheme. First results of forward modeling provide spectral shapes that are consistent with VIMS measurements, as well as surface and aerosol properties in the range of validity for Titan. Further inversion tests will be carried on VIMS hyperspectral images for the estimate of spatial coherence of the results, accuracy of the surface reflectance within the atmospheric windows, and potential needs for improved input data and modeling. This work was partly performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract to the National Aeronautics and Space Administration. Calibrated VIMS data appear courtesy of the VIMS team. We thank the CNES French agency for its financial support.

  18. Nonlinear permittivity spectra of supercooled ionic liquids: Observation of a "hump" in the third-order permittivity spectra and comparison to double-well potential models.

    Science.gov (United States)

    Patro, L N; Burghaus, O; Roling, B

    2017-04-21

    We have measured the third-order permittivity spectra ε 3 3 of a monocationic and of a dicationic liquid close to the glass transition temperature by applying ac electric fields with large amplitudes up to 180 kV/cm. A peak ("hump") in the modulus of ε 3 3 is observed for a mono-cationic liquid after subtraction of the dc contribution from the imaginary part of ε 3 3 . We show that the origin of this experimental "hump" is a peak in the imaginary part of ε 3 3 , with the peak height strongly increasing with decreasing temperature. Overall, the spectral shape of the third-order permittivity of both ionic liquids is similar to the predictions of a symmetric double well potential model, although this model does not predict a "hump" in the modulus. In contrast, an asymmetric double well potential model predicts a "hump," but the spectral shape of both the real and imaginary part of ε 3 3 deviates significantly from the experimental spectra. These results show that not only the modulus of ε 3 3 but also its phase is an important quantity when comparing experimental results with theoretical predictions.

  19. Cross-spectra over the sea from observations and mesoscale modelling

    DEFF Research Database (Denmark)

    Vincent, Claire Louise; Larsén, Xiaoli Guo; Larsen, Søren Ejling

    2013-01-01

    of the cross-correlation function and an exponentially decaying coherence function are fitted to the normalized cospectra and quadrature spectra. The expressions are shown to be a good fit to the spectra calculated from the WRF simulations and to the observed spectra for directions with a long sea-fetch, which...

  20. Rock properties influencing impedance spectra (IS) studied by lab measurements on porous model systems

    Energy Technology Data Exchange (ETDEWEB)

    Volkmann, J.; Klitzsch, N.; Mohnke, O. [RWTH Aachen Univ. (Germany). Applied Geophysics and Geothermal Energy; Schleifer, N. [Wintershall Holding GmbH, Barnstorf (Germany)

    2013-08-01

    The wetting condition of reservoir rocks is a crucial parameter for the estimation of reservoir characteristics like permeability and saturation with residual oil or water. Since standard methods are often costly, at least in terms of time, we aim at assessing wettability of reservoir rocks using impedance spectroscopy (IS), a frequency dependent measurement of complex electric resistivity. This approach is promising, because IS is sensitive to the electrochemical properties of the inner surface of rocks which, on the other hand, are decisively influencing wettability. Unfortunately, there is large number of rock parameters - besides wettability - influencing the impedance spectra often not exactly known for natural rock samples. Therefore, we study model systems to improve the understanding of the underlying mechanisms and to quantify the influencing parameters. The model systems consist of sintered porous silica beads of different sizes leading to samples with different pore sizes. The main advantage of these samples compared to natural rocks is their well-defined and uniform mineralogical composition and thus their uniform electrochemical surface property. In order to distinguish pore geometry and fluid electrochemistry effects on the IS properties we measured the IS response of the fully water saturated model systems in a wide frequency range - from 1 mHz to 35 MHz - to capture different often overlapping polarization processes. With these measurements we study the influence of pore or grain size, fluid conductivity, and wettability (contact angle) on the impedance spectra. The influence of wettability was studied by modifying the originally hydrophilic inner surface into a hydrophobic state. The wettability change was verified by contact angle measurements. As results, we find pore size dependent relaxation times and salinity dependent chargeabilities for the hydrophilic samples in the low frequency range (< 10 kHz), whereas for the hydrophobic samples

  1. Studying the highly bent spectra of FR II-type radio galaxies with the KDA EXT model

    Science.gov (United States)

    Kuligowska, Elżbieta

    2018-04-01

    Context. The Kaiser, Dennett-Thorpe & Alexander (KDA, 1997, MNRAS, 292, 723) EXT model, that is, the extension of the KDA model of Fanaroff & Riley (FR) II-type source evolution, is applied and confronted with the observational data for selected FR II-type radio sources with significantly aged radio spectra. Aim. A sample of FR II-type radio galaxies with radio spectra strongly bent at their highest frequencies is used for testing the usefulness of the KDA EXT model. Methods: The dynamical evolution of FR II-type sources predicted with the KDA EXT model is briefly presented and discussed. The results are then compared to the ones obtained with the classical KDA approach, assuming the source's continuous injection and self-similarity. Results: The results and corresponding diagrams obtained for the eight sample sources indicate that the KDA EXT model predicts the observed radio spectra significantly better than the best spectral fit provided by the original KDA model.

  2. [Outlier sample discriminating methods for building calibration model in melons quality detecting using NIR spectra].

    Science.gov (United States)

    Tian, Hai-Qing; Wang, Chun-Guang; Zhang, Hai-Jun; Yu, Zhi-Hong; Li, Jian-Kang

    2012-11-01

    Outlier samples strongly influence the precision of the calibration model in soluble solids content measurement of melons using NIR Spectra. According to the possible sources of outlier samples, three methods (predicted concentration residual test; Chauvenet test; leverage and studentized residual test) were used to discriminate these outliers respectively. Nine suspicious outliers were detected from calibration set which including 85 fruit samples. Considering the 9 suspicious outlier samples maybe contain some no-outlier samples, they were reclaimed to the model one by one to see whether they influence the model and prediction precision or not. In this way, 5 samples which were helpful to the model joined in calibration set again, and a new model was developed with the correlation coefficient (r) 0. 889 and root mean square errors for calibration (RMSEC) 0.6010 Brix. For 35 unknown samples, the root mean square errors prediction (RMSEP) was 0.854 degrees Brix. The performance of this model was more better than that developed with non outlier was eliminated from calibration set (r = 0.797, RMSEC= 0.849 degrees Brix, RMSEP = 1.19 degrees Brix), and more representative and stable with all 9 samples were eliminated from calibration set (r = 0.892, RMSEC = 0.605 degrees Brix, RMSEP = 0.862 degrees).

  3. Application of class-modelling techniques to infrared spectra for analysis of pork adulteration in beef jerkys.

    Science.gov (United States)

    Kuswandi, Bambang; Putri, Fitra Karima; Gani, Agus Abdul; Ahmad, Musa

    2015-12-01

    The use of chemometrics to analyse infrared spectra to predict pork adulteration in the beef jerky (dendeng) was explored. In the first step, the analysis of pork in the beef jerky formulation was conducted by blending the beef jerky with pork at 5-80 % levels. Then, they were powdered and classified into training set and test set. The second step, the spectra of the two sets was recorded by Fourier Transform Infrared (FTIR) spectroscopy using atenuated total reflection (ATR) cell on the basis of spectral data at frequency region 4000-700 cm(-1). The spectra was categorised into four data sets, i.e. (a) spectra in the whole region as data set 1; (b) spectra in the fingerprint region (1500-600 cm(-1)) as data set 2; (c) spectra in the whole region with treatment as data set 3; and (d) spectra in the fingerprint region with treatment as data set 4. The third step, the chemometric analysis were employed using three class-modelling techniques (i.e. LDA, SIMCA, and SVM) toward the data sets. Finally, the best result of the models towards the data sets on the adulteration analysis of the samples were selected and the best model was compared with the ELISA method. From the chemometric results, the LDA model on the data set 1 was found to be the best model, since it could classify and predict 100 % accuracy of the sample tested. The LDA model was applied toward the real samples of the beef jerky marketed in Jember, and the results showed that the LDA model developed was in good agreement with the ELISA method.

  4. Dual regression physiological modeling of resting-state EPI power spectra: Effects of healthy aging.

    Science.gov (United States)

    Viessmann, Olivia; Möller, Harald E; Jezzard, Peter

    2018-02-02

    Aging and disease-related changes in the arteriovasculature have been linked to elevated levels of cardiac cycle-induced pulsatility in the cerebral microcirculation. Functional magnetic resonance imaging (fMRI), acquired fast enough to unalias the cardiac frequency contributions, can be used to study these physiological signals in the brain. Here, we propose an iterative dual regression analysis in the frequency domain to model single voxel power spectra of echo planar imaging (EPI) data using external recordings of the cardiac and respiratory cycles as input. We further show that a data-driven variant, without external physiological traces, produces comparable results. We use this framework to map and quantify cardiac and respiratory contributions in healthy aging. We found a significant increase in the spatial extent of cardiac modulated white matter voxels with age, whereas the overall strength of cardiac-related EPI power did not show an age effect. Copyright © 2018. Published by Elsevier Inc.

  5. A Study of Precataclysmic Binaries Through Theoretic Modeling of Light Curves and Spectra

    Science.gov (United States)

    Mitrofanova, A. A.; Shimansky, V. V.; Borisov, N. V.

    2017-06-01

    The article presents results of three pre-cataclysmic binaries (PN G068.1+11.0, TW Crv and RE J2013+4002) investigation. Spectroscopic and photometric observations were obtained on BTA and Zeiss-1000 of SAO RAS and on RTT-150. We used the modeling of light curves and spectra to determine the fundamental parameters for all three systems. The PN G068.1+11.0 parameters were obtained with the use of the evolutionary tracks for the nuclei of planetary nebulae of different masses. According to the results of the study, it was found that the secondary components of PN G068.1+11.0 and TW Crv have luminosity excess, but secondary component of RE J2013+4002 doesn't have one.

  6. Cooperativity in Molecular Dynamics Structural Models and the Dielectric Spectra of 1,2-Ethanediol

    Science.gov (United States)

    Usacheva, T. M.

    2018-05-01

    Linear relationships are established between the experimental equilibrium correlation factor and the molecular dynamics (MD) mean value of the O-H···O bond angle and the longitudinal component of the unit vector of the mean statistical dipole moment of the cluster in liquid 1,2-ethanediol (12ED). The achievements of modern MD models in describing the experimental dispersion of the permittivity of 12ED by both continuous and discrete relaxation time spectra are analyzed. The advantage computer MD experiments have over dielectric spectroscopy for calculating relaxation time and determining the molecular diffusion mechanisms of the rearrangement of the network 12ED structure, which is more complex than water, is demonstrated.

  7. Modelling of oscillations in two-dimensional echo-spectra of the Fenna-Matthews-Olson complex

    International Nuclear Information System (INIS)

    Hein, Birgit; Kreisbeck, Christoph; Kramer, Tobias; Rodríguez, Mirta

    2012-01-01

    Recent experimental observations of time-dependent beatings in the two-dimensional echo-spectra of light-harvesting complexes at ambient temperatures have opened up the question of whether coherence and wave-like behaviour play a significant role in photosynthesis. We carry out a numerical study of the absorption and echo-spectra of the Fenna-Matthews-Olson (FMO) complex in Chlorobium tepidum and analyse the requirements in the theoretical model needed to reproduce beatings in the calculated spectra. The energy transfer in the FMO pigment-protein complex is theoretically described by an exciton Hamiltonian coupled to a phonon bath which accounts for the pigments' electronic and vibrational excitations, respectively. We use the hierarchical equations of motions method to treat the strong couplings in a non-perturbative way. We show that the oscillations in the two-dimensional echo-spectra persist in the presence of thermal noise and static disorder. (paper)

  8. Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models.

    Science.gov (United States)

    Martínez-Fernández, L; Pepino, A J; Segarra-Martí, J; Banyasz, A; Garavelli, M; Improta, R

    2016-09-13

    The optical spectra of 5-methylcytidine in three different solvents (tetrahydrofuran, acetonitrile, and water) is measured, showing that both the absorption and the emission maximum in water are significantly blue-shifted (0.08 eV). The absorption spectra are simulated based on CAM-B3LYP/TD-DFT calculations but including solvent effects with three different approaches: (i) a hybrid implicit/explicit full quantum mechanical approach, (ii) a mixed QM/MM static approach, and (iii) a QM/MM method exploiting the structures issuing from molecular dynamics classical simulations. Ab-initio Molecular dynamics simulations based on CAM-B3LYP functionals have also been performed. The adopted approaches all reproduce the main features of the experimental spectra, giving insights on the chemical-physical effects responsible for the solvent shifts in the spectra of 5-methylcytidine and providing the basis for discussing advantages and limitations of the adopted solvation models.

  9. Can a one-layer optical skin model including melanin and inhomogeneously distributed blood explain spatially resolved diffuse reflectance spectra?

    Science.gov (United States)

    Karlsson, Hanna; Pettersson, Anders; Larsson, Marcus; Strömberg, Tomas

    2011-02-01

    Model based analysis of calibrated diffuse reflectance spectroscopy can be used for determining oxygenation and concentration of skin chromophores. This study aimed at assessing the effect of including melanin in addition to hemoglobin (Hb) as chromophores and compensating for inhomogeneously distributed blood (vessel packaging), in a single-layer skin model. Spectra from four humans were collected during different provocations using a twochannel fiber optic probe with source-detector separations 0.4 and 1.2 mm. Absolute calibrated spectra using data from either a single distance or both distances were analyzed using inverse Monte Carlo for light transport and Levenberg-Marquardt for non-linear fitting. The model fitting was excellent using a single distance. However, the estimated model failed to explain spectra from the other distance. The two-distance model did not fit the data well at either distance. Model fitting was significantly improved including melanin and vessel packaging. The most prominent effect when fitting data from the larger separation compared to the smaller separation was a different light scattering decay with wavelength, while the tissue fraction of Hb and saturation were similar. For modeling spectra at both distances, we propose using either a multi-layer skin model or a more advanced model for the scattering phase function.

  10. Modelling of the anti-neutrino production and spectra from a Magnox reactor

    Science.gov (United States)

    Mills, Robert W.; Mountford, David J.; Coleman, Jonathon P.; Metelko, Carl; Murdoch, Matthew; Schnellbach, Yan-Jie

    2018-01-01

    The anti-neutrino source properties of a fission reactor are governed by the production and beta decay of the radionuclides present and the summation of their individual anti-neutrino spectra. The fission product radionuclide production changes during reactor operation and different fissioning species give rise to different product distributions. It is thus possible to determine some details of reactor operation, such as power, from the anti-neutrino emission to confirm safeguards records. Also according to some published calculations, it may be feasible to observe different anti-neutrino spectra depending on the fissile contents of the reactor fuel and thus determine the reactor's fissile material inventory during operation which could considerable improve safeguards. In mid-2014 the University of Liverpool deployed a prototype anti-neutrino detector at the Wylfa R1 station in Anglesey, United Kingdom based upon plastic scintillator technology developed for the T2K project. The deployment was used to develop the detector electronics and software until the reactor was finally shutdown in December 2015. To support the development of this detector technology for reactor monitoring and to understand its capabilities, the National Nuclear Laboratory modelled this graphite moderated and natural uranium fuelled reactor with existing codes used to support Magnox reactor operations and waste management. The 3D multi-physics code PANTHER was used to determine the individual powers of each fuel element (8×6152) during the year and a half period of monitoring based upon reactor records. The WIMS/TRAIL/FISPIN code route was then used to determine the radionuclide inventory of each nuclide on a daily basis in each element. These nuclide inventories were then used with the BTSPEC code to determine the anti-neutrino spectra and source strength using JEFF-3.1.1 data. Finally the anti-neutrino source from the reactor for each day during the year and a half of monitored reactor

  11. Modelling of the anti-neutrino production and spectra from a Magnox reactor

    Directory of Open Access Journals (Sweden)

    Mills Robert W

    2018-01-01

    Full Text Available The anti-neutrino source properties of a fission reactor are governed by the production and beta decay of the radionuclides present and the summation of their individual anti-neutrino spectra. The fission product radionuclide production changes during reactor operation and different fissioning species give rise to different product distributions. It is thus possible to determine some details of reactor operation, such as power, from the anti-neutrino emission to confirm safeguards records. Also according to some published calculations, it may be feasible to observe different anti-neutrino spectra depending on the fissile contents of the reactor fuel and thus determine the reactor's fissile material inventory during operation which could considerable improve safeguards. In mid-2014 the University of Liverpool deployed a prototype anti-neutrino detector at the Wylfa R1 station in Anglesey, United Kingdom based upon plastic scintillator technology developed for the T2K project. The deployment was used to develop the detector electronics and software until the reactor was finally shutdown in December 2015. To support the development of this detector technology for reactor monitoring and to understand its capabilities, the National Nuclear Laboratory modelled this graphite moderated and natural uranium fuelled reactor with existing codes used to support Magnox reactor operations and waste management. The 3D multi-physics code PANTHER was used to determine the individual powers of each fuel element (8×6152 during the year and a half period of monitoring based upon reactor records. The WIMS/TRAIL/FISPIN code route was then used to determine the radionuclide inventory of each nuclide on a daily basis in each element. These nuclide inventories were then used with the BTSPEC code to determine the anti-neutrino spectra and source strength using JEFF-3.1.1 data. Finally the anti-neutrino source from the reactor for each day during the year and a half of

  12. MODEL SPECTRA OF THE FIRST POTENTIALLY HABITABLE SUPER-EARTH-Gl581d

    International Nuclear Information System (INIS)

    Kaltenegger, Lisa; Segura, AntIgona; Mohanty, Subhanjoy

    2011-01-01

    Gl581d has a minimum mass of 7 M Earth and is the first detected potentially habitable rocky Super-Earth. Our models confirm that a habitable atmosphere can exist on Gl581d. We derive spectroscopic features for atmospheres assuming an Earth-like composition for this planet, from high-oxygen atmosphere analogous to Earth's to high-CO 2 atmospheres with and without biotic oxygen concentrations. We find that a minimum CO 2 partial pressure of about 7 bar, in an atmosphere with a total surface pressure of 7.6 bar, is needed to maintain a mean surface temperature above freezing on Gl581d. We model transmission and emergent synthetic spectra from 0.4 μm to 40 μm and show where indicators of biological activities in such a planet's atmosphere could be observed by future ground- and space-based telescopes. The model we present here only represents one possible nature-an Earth-like composition-of a planet like Gl581d in a wide parameter space. Future observations of atmospheric features can be used to examine if our concept of habitability and its dependence on the carbonate-silicate cycle is correct, and assess whether Gl581d is indeed a habitable Super-Earth.

  13. Influence of spin and charge fluctuations on spectra of the two-dimensional Hubbard model

    Science.gov (United States)

    Sherman, A.

    2018-05-01

    The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions , temperatures and electron concentrations with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at . At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from at the highest temperatures to U  =  2t at for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for . For and doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.

  14. A systematic approach to obtain validated Partial Least Square models for predicting lipoprotein subclasses from serum NMR spectra

    NARCIS (Netherlands)

    Mihaleva, V.V.; van Schalkwijk, D.B.; de Graaf, A.A.; van Duynhoven, J.; van Dorsten, F.A.; Vervoort, J.; Smilde, A.; Westerhuis, J.A.; Jacobs, D.M.

    2014-01-01

    A systematic approach is described for building validated PLS models that predict cholesterol and triglyceride concentrations in lipoprotein subclasses in fasting serum from a normolipidemic, healthy population. The PLS models were built on diffusion-edited 1H NMR spectra and calibrated on

  15. A systematic approach to obtain validated partial least square models for predicting lipoprotein subclasses from serum NMR spectra

    NARCIS (Netherlands)

    Mihaleva, V.V.; Schalkwijk, van D.B.; Graaf, de A.A.; Duynhoven, van J.P.M.; Dorsten, van F.A.; Vervoort, J.J.M.; Smilde, A.K.; Westerhuis, J.A.; Jacobs, D.M.

    2014-01-01

    A systematic approach is described for building validated PLS models that predict cholesterol and triglyceride concentrations in lipoprotein subclasses in fasting serum from a normolipidemic, healthy population. The PLS models were built on diffusion-edited (1)H NMR spectra and calibrated on

  16. A systematic approach to obtain validated partial least square models for predicting lipoprotein subclasses from serum nmr spectra

    NARCIS (Netherlands)

    Mihaleva, V.V.; Schalkwijk, D.B. van; Graaf, A.A. de; Duynhoven, J. van; Dorsten, F.A. van; Vervoort, J.; Smilde, A.; Westerhuis, J.A.; Jacobs, D.M.

    2014-01-01

    A systematic approach is described for building validated PLS models that predict cholesterol and triglyceride concentrations in lipoprotein subclasses in fasting serum from a normolipidemic, healthy population. The PLS models were built on diffusion-edited 1H NMR spectra and calibrated on

  17. Extracting Optical Fiber Background from Surface-Enhanced Raman Spectroscopy Spectra Based on Bi-Objective Optimization Modeling.

    Science.gov (United States)

    Huang, Jie; Shi, Tielin; Tang, Zirong; Zhu, Wei; Liao, Guanglan; Li, Xiaoping; Gong, Bo; Zhou, Tengyuan

    2017-08-01

    We propose a bi-objective optimization model for extracting optical fiber background from the measured surface-enhanced Raman spectroscopy (SERS) spectrum of the target sample in the application of fiber optic SERS. The model is built using curve fitting to resolve the SERS spectrum into several individual bands, and simultaneously matching some resolved bands with the measured background spectrum. The Pearson correlation coefficient is selected as the similarity index and its maximum value is pursued during the spectral matching process. An algorithm is proposed, programmed, and demonstrated successfully in extracting optical fiber background or fluorescence background from the measured SERS spectra of rhodamine 6G (R6G) and crystal violet (CV). The proposed model not only can be applied to remove optical fiber background or fluorescence background for SERS spectra, but also can be transferred to conventional Raman spectra recorded using fiber optic instrumentation.

  18. Modeling of LMM-MVV Auger-Auger Coincidence Spectra From Solids

    Science.gov (United States)

    Sundaramoorthy, R.; Weiss, A. H.; Hulbert, S. L.; Bartynski, R. A.

    2006-03-01

    Atoms that are highly excited due to the presence of a hole in an inner shell often relax via an Auger transition. This auto-ionizing process results in a final state with two or more holes from an Auger cascade. We present results of the direct measurements of the second and third Auger decays in this sequence. We have measured the Mn MVV Auger spectra from a single-crystal sample of MnO in time coincidence with Auger electrons emitted from prior Mn LMM Auger decays and find these to be much wider than the MVV spectrum measured in time coincidence with M core photoelectron emission. We present a model which attributes the increased energy width of the MVV transitions that follow LMM decays to the rearrangement of ``not so innocent'' bystander hole(s) in the valence band. The energetics of the Auger cascade process are modeled mathematically in terms of correlation integral(s) and convolution integral(s) over the valence band density of states. Comparisons with recent Auger-Auger coincidence studies of Ag and Pd will be made. Acknowledgements: Welch Foundation, NSF DMR98-12628, NSF DMR98-01681, and DOE DE-AC02-98CH10886.

  19. Doubly 15N-substituted diazenylium: THz laboratory spectra and fractionation models

    Science.gov (United States)

    Dore, L.; Bizzocchi, L.; Wirström, E. S.; Degli Esposti, C.; Tamassia, F.; Charnley, S. B.

    2017-07-01

    Context. Isotopic fractionation in dense molecular cores has been suggested as a possible origin of large 14N/15N ratio variations in solar system materials. While chemical models can explain some observed variations with different fractionation patterns for molecules with -NH or -CN functional groups, they fail to reproduce the observed ratios in diazenylium (N2H+). Aims: Observations of doubly 15N-substituted species could provide important constraints and insights for theoretical chemical models of isotopic fractionation. However, spectroscopic data are very scarce. Methods: The rotational spectra of the fully 15N-substituted isopologues of the diazenylium ion, 15N2H+ and 15N2D+, have been investigated in the laboratory well into the THz region by using a source-modulation microwave spectrometer equipped with a negative glow discharge cell. An extended chemical reaction network has been used to estimate what ranges of 15N fractionation in doubly 15N-substituted species could be expected in the interstellar medium (ISM). Results: For each isotopologue of the H- and D-containing pair, nine rotational transitions were accurately measured in the frequency region 88 GHz-1.2 THz. The analysis of the spectrum provided very precise rest frequencies at millimeter and sub-millimeter wavelengths, useful for the radioastronomical identification of the rotational lines of 15N2H+ and 15N2D+ in the ISM.

  20. A fast and flexible reactor physics model for simulating neutron spectra and depletion in fast reactors - 202

    International Nuclear Information System (INIS)

    Recktenwald, G.D.; Bronk, L.A.; Deinert, M.R.

    2010-01-01

    Determining the time dependent concentration of isotopes within a nuclear reactor core is central to the analysis of nuclear fuel cycles. We present a fast, flexible tool for determining the time dependent neutron spectrum within fast reactors. The code (VBUDS: visualization, burnup, depletion and spectra) uses a two region, multigroup collision probability model to simulate the energy dependent neutron flux and tracks the buildup and burnout of 24 actinides, as well as fission products. While originally developed for LWR simulations, the model is shown to produce fast reactor spectra that show high degree of fidelity to available fast reactor benchmarks. (authors)

  1. GPI Spectra of HR8799 C, D, and E in H-K Bands with KLIP Forward Modeling

    Science.gov (United States)

    Greenbaum, Alexandra Z.; Pueyo, Laurent; Ruffio, Jean-Baptiste; Wang, Jason J.; De Rosa, Robert J.; Aguilar, Jonathan; Rameau, Julien; Barman, Travis; Marois, Christian; Marley, Mark S.; hide

    2018-01-01

    We demonstrate KLIP forward modeling spectral extraction on Gemini Planet Imager coronagraphic data of HR8799, using PyKLIP. We report new and re-reduced spectrophotometry of HR8799 c, d, and e from H-K bands. We discuss a strategy for choosing optimal KLIP PSF subtraction parameters by injecting fake sources and recovering them over a range of parameters. The K1/K2 spectra for planets c and d are similar to previously published results from the same dataset. We also present a K band spectrum of HR8799e for the first time and show that our H-band spectra agree well with previously published spectra from the VLT/SPHERE instrument. We compare planets c, d, and e with M, L, and T-type field objects. All objects are consistent with low gravity mid-to-late L dwarfs, however, a lack of standard spectra for low gravity late L-type objects lead to poor fit for gravity. We place our results in context of atmospheric models presented in previous publications and discuss differences in the spectra of the three planets.

  2. Modeling midwave infrared muzzle flash spectra from unsuppressed and flash-suppressed large caliber munitions

    Science.gov (United States)

    Steward, Bryan J.; Perram, Glen P.; Gross, Kevin C.

    2012-07-01

    Time-resolved infrared spectra of firings from a 152 mm howitzer were acquired over an 1800-6000 cm-1 spectral range using a Fourier-transform spectrometer. The instrument collected primarily at 32 cm-1 spectral and 100 Hz temporal resolutions. Munitions included unsuppressed and chemically flash suppressed propellants. Secondary combustion occurred with unsuppressed propellants resulting in flash emissions lasting ˜100 ms and dominated by H2O and CO2 spectral structure. Non-combusting plume emissions were one-tenth as intense and approached background levels within 20-40 ms. A low-dimensional phenomenological model was used to reduce the data to temperatures, soot absorbances, and column densities of H2O, CO2, CH4, and CO. The combusting plumes exhibit peak temperatures of ˜1400 K, areas of greater than 32 m2, low soot emissivity of ˜0.04, with nearly all the CO converted to CO2. The non-combusting plumes exhibit lower temperatures of ˜1000 K, areas of ˜5 m2, soot emissivity of greater than 0.38 and CO as the primary product. Maximum fit residual relative to peak intensity are 14% and 8.9% for combusting and non-combusting plumes, respectively. The model was generalized to account for turbulence-induced variations in the muzzle plumes. Distributions of temperature and concentration in 1-2 spatial regions demonstrate a reduction in maximum residuals by 40%. A two-region model of combusting plumes provides a plausible interpretation as a ˜1550 K, optically thick plume core and ˜2550 K, thin, surface-layer flame-front. Temperature rate of change was used to characterize timescales and energy release for plume emissions. Heat of combustion was estimated to be ˜5 MJ/kg.

  3. Modeling of X-ray Images and Energy Spectra Produced by Stepping Lightning Leaders

    Science.gov (United States)

    Xu, Wei; Marshall, Robert A.; Celestin, Sebastien; Pasko, Victor P.

    2017-11-01

    Recent ground-based measurements at the International Center for Lightning Research and Testing (ICLRT) have greatly improved our knowledge of the energetics, fluence, and evolution of X-ray emissions during natural cloud-to-ground (CG) and rocket-triggered lightning flashes. In this paper, using Monte Carlo simulations and the response matrix of unshielded detectors in the Thunderstorm Energetic Radiation Array (TERA), we calculate the energy spectra of X-rays as would be detected by TERA and directly compare with the observational data during event MSE 10-01. The good agreement obtained between TERA measurements and theoretical calculations supports the mechanism of X-ray production by thermal runaway electrons during the negative corona flash stage of stepping lightning leaders. Modeling results also suggest that measurements of X-ray bursts can be used to estimate the approximate range of potential drop of lightning leaders. Moreover, the X-ray images produced during the leader stepping process in natural negative CG discharges, including both the evolution and morphological features, are theoretically quantified. We show that the compact emission pattern as recently observed in X-ray images is likely produced by X-rays originating from the source region, and the diffuse emission pattern can be explained by the Compton scattering effects.

  4. Quantum-Gravitational Effects on Primordial Power Spectra in Slow-Roll Inflationary Models

    Directory of Open Access Journals (Sweden)

    David Brizuela

    2018-01-01

    Full Text Available We review the computation of the power spectra of inflationary gauge-invariant perturbations in the context of canonical quantum gravity for generic slow-roll models. A semiclassical approximation, based on an expansion in inverse powers of the Planck mass, is applied to the complete Wheeler–DeWitt equation describing a perturbed inflationary universe. This expansion leads to a hierarchy of equations at consecutive orders of the approximation and allows us to write down a corrected Schrödinger equation that encodes information about quantum-gravitational effects. The analytical dependence of the correction to the power spectrum on the wavenumber is obtained. Nonetheless, some numerical work is needed in order to obtain its precise value. Finally, it is shown that the correction turns out to be positive, which leads to an enhancement of the power spectrum especially prominent for large scales. We will also discuss whether this correction leads to a measurable effect in the cosmic microwave background anisotropies.

  5. MCNP modelling of scintillation-detector gamma-ray spectra from natural radionuclides.

    Science.gov (United States)

    Hendriks, P H G M; Maucec, M; de Meijer, R J

    2002-09-01

    gamma-ray spectra of natural radionuclides are simulated for a BGO detector in a borehole geometry using the Monte Carlo code MCNP. All gamma-ray emissions of the decay of 40K and the series of 232Th and 238U are used to describe the source. A procedure is proposed which excludes the time-consuming electron tracking in less relevant areas of the geometry. The simulated gamma-ray spectra are benchmarked against laboratory data.

  6. A Comparison of the Lower Stratospheric Age-Spectra Derived from a General Circulation Model and Two Data Assimilation Systems

    Science.gov (United States)

    Schoeberl, Mark R.; Douglass, Anne R.; Zhu, Zhengxin; Pawson, Steven

    2002-01-01

    We use kinematic and diabatic back trajectory calculations, driven by winds from a general circulation model (GCM) and two different data assimilation systems (DAS), to compute the age spectrum at three latitudes in the lower stratosphere. The age-spectra are compared to chemical transport model (CTM) calculations, and the mean ages from all of these studies are compared to observations. The age spectra computed using the GCM winds show a reasonably isolated tropics in good agreement with observations; however, the age spectra determined from the DAS differ from the GCM spectra. For the DAS diabatic trajectory calculations there is too much exchange between the tropics and mid-latitudes. The age spectrum is thus too broad and the tropical mean age is too old as a result of mixing older mid latitude air with tropical air. Likewise the mid latitude mean age is too young due to the in mixing of tropical air. The DAS kinematic trajectory calculations show excessive vertical dispersion of parcels in addition to excessive exchange between the tropics and mid latitudes. Because air is moved rapidly to the troposphere from the vertical dispersion, the age spectrum is shifted toward the young side. The excessive vertical and meridional dispersion compensate in the kinematic case giving a reasonable tropical mean age. The CTM calculation of the age spectrum using the DAS winds shows the same vertical and meridional dispersive characteristics of the kinematic trajectory calculation. These results suggest that the current DAS products will not give realistic trace gas distributions for long integrations; they also help explain why the extra tropical mean ages determined in a number of previous DAS driven CTM s are too young compared with observations. Finally, we note trajectory-generated age spectra . show significant age anomalies correlated with the seasonal cycles. These anomalies can be linked to year-to-year variations in the tropical heating rate. The anomalies are

  7. Modeling the complexity of acoustic emission during intermittent plastic deformation: Power laws and multifractal spectra.

    Science.gov (United States)

    Kumar, Jagadish; Ananthakrishna, G

    2018-01-01

    Scale-invariant power-law distributions for acoustic emission signals are ubiquitous in several plastically deforming materials. However, power-law distributions for acoustic emission energies are reported in distinctly different plastically deforming situations such as hcp and fcc single and polycrystalline samples exhibiting smooth stress-strain curves and in dilute metallic alloys exhibiting discontinuous flow. This is surprising since the underlying dislocation mechanisms in these two types of deformations are very different. So far, there have been no models that predict the power-law statistics for discontinuous flow. Furthermore, the statistics of the acoustic emission signals in jerky flow is even more complex, requiring multifractal measures for a proper characterization. There has been no model that explains the complex statistics either. Here we address the problem of statistical characterization of the acoustic emission signals associated with the three types of the Portevin-Le Chatelier bands. Following our recently proposed general framework for calculating acoustic emission, we set up a wave equation for the elastic degrees of freedom with a plastic strain rate as a source term. The energy dissipated during acoustic emission is represented by the Rayleigh-dissipation function. Using the plastic strain rate obtained from the Ananthakrishna model for the Portevin-Le Chatelier effect, we compute the acoustic emission signals associated with the three Portevin-Le Chatelier bands and the Lüders-like band. The so-calculated acoustic emission signals are used for further statistical characterization. Our results show that the model predicts power-law statistics for all the acoustic emission signals associated with the three types of Portevin-Le Chatelier bands with the exponent values increasing with increasing strain rate. The calculated multifractal spectra corresponding to the acoustic emission signals associated with the three band types have a maximum

  8. BATMAN--an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model.

    Science.gov (United States)

    Hao, Jie; Astle, William; De Iorio, Maria; Ebbels, Timothy M D

    2012-08-01

    Nuclear Magnetic Resonance (NMR) spectra are widely used in metabolomics to obtain metabolite profiles in complex biological mixtures. Common methods used to assign and estimate concentrations of metabolites involve either an expert manual peak fitting or extra pre-processing steps, such as peak alignment and binning. Peak fitting is very time consuming and is subject to human error. Conversely, alignment and binning can introduce artefacts and limit immediate biological interpretation of models. We present the Bayesian automated metabolite analyser for NMR spectra (BATMAN), an R package that deconvolutes peaks from one-dimensional NMR spectra, automatically assigns them to specific metabolites from a target list and obtains concentration estimates. The Bayesian model incorporates information on characteristic peak patterns of metabolites and is able to account for shifts in the position of peaks commonly seen in NMR spectra of biological samples. It applies a Markov chain Monte Carlo algorithm to sample from a joint posterior distribution of the model parameters and obtains concentration estimates with reduced error compared with conventional numerical integration and comparable to manual deconvolution by experienced spectroscopists. http://www1.imperial.ac.uk/medicine/people/t.ebbels/ t.ebbels@imperial.ac.uk.

  9. A Generalized Approach to Model the Spectra and Radiation Dose Rate of Solar Particle Events on the Surface of Mars

    Science.gov (United States)

    Guo, Jingnan; Zeitlin, Cary; Wimmer-Schweingruber, Robert F.; McDole, Thoren; Kühl, Patrick; Appel, Jan C.; Matthiä, Daniel; Krauss, Johannes; Köhler, Jan

    2018-01-01

    For future human missions to Mars, it is important to study the surface radiation environment during extreme and elevated conditions. In the long term, it is mainly galactic cosmic rays (GCRs) modulated by solar activity that contribute to the radiation on the surface of Mars, but intense solar energetic particle (SEP) events may induce acute health effects. Such events may enhance the radiation level significantly and should be detected as immediately as possible to prevent severe damage to humans and equipment. However, the energetic particle environment on the Martian surface is significantly different from that in deep space due to the influence of the Martian atmosphere. Depending on the intensity and shape of the original solar particle spectra, as well as particle types, the surface spectra may induce entirely different radiation effects. In order to give immediate and accurate alerts while avoiding unnecessary ones, it is important to model and well understand the atmospheric effect on the incoming SEPs, including both protons and helium ions. In this paper, we have developed a generalized approach to quickly model the surface response of any given incoming proton/helium ion spectra and have applied it to a set of historical large solar events, thus providing insights into the possible variety of surface radiation environments that may be induced during SEP events. Based on the statistical study of more than 30 significant solar events, we have obtained an empirical model for estimating the surface dose rate directly from the intensities of a power-law SEP spectra.

  10. Image simulation and a model of noise power spectra across a range of mammographic beam qualities

    Energy Technology Data Exchange (ETDEWEB)

    Mackenzie, Alistair, E-mail: alistairmackenzie@nhs.net; Dance, David R.; Young, Kenneth C. [National Coordinating Centre for the Physics of Mammography, Royal Surrey County Hospital, Guildford GU2 7XX, United Kingdom and Department of Physics, University of Surrey, Guildford GU2 7XH (United Kingdom); Diaz, Oliver [Centre for Vision, Speech and Signal Processing, Faculty of Engineering and Physical Sciences, University of Surrey, Guildford GU2 7XH, United Kingdom and Computer Vision and Robotics Research Institute, University of Girona, Girona 17071 (Spain)

    2014-12-15

    Purpose: The aim of this work is to create a model to predict the noise power spectra (NPS) for a range of mammographic radiographic factors. The noise model was necessary to degrade images acquired on one system to match the image quality of different systems for a range of beam qualities. Methods: Five detectors and x-ray systems [Hologic Selenia (ASEh), Carestream computed radiography CR900 (CRc), GE Essential (CSI), Carestream NIP (NIPc), and Siemens Inspiration (ASEs)] were characterized for this study. The signal transfer property was measured as the pixel value against absorbed energy per unit area (E) at a reference beam quality of 28 kV, Mo/Mo or 29 kV, W/Rh with 45 mm polymethyl methacrylate (PMMA) at the tube head. The contributions of the three noise sources (electronic, quantum, and structure) to the NPS were calculated by fitting a quadratic at each spatial frequency of the NPS against E. A quantum noise correction factor which was dependent on beam quality was quantified using a set of images acquired over a range of radiographic factors with different thicknesses of PMMA. The noise model was tested for images acquired at 26 kV, Mo/Mo with 20 mm PMMA and 34 kV, Mo/Rh with 70 mm PMMA for three detectors (ASEh, CRc, and CSI) over a range of exposures. The NPS were modeled with and without the noise correction factor and compared with the measured NPS. A previous method for adapting an image to appear as if acquired on a different system was modified to allow the reference beam quality to be different from the beam quality of the image. The method was validated by adapting the ASEh flat field images with two thicknesses of PMMA (20 and 70 mm) to appear with the imaging characteristics of the CSI and CRc systems. Results: The quantum noise correction factor rises with higher beam qualities, except for CR systems at high spatial frequencies, where a flat response was found against mean photon energy. This is due to the dominance of secondary quantum noise

  11. Mass spectra and wave functions of meson systems and the covariant oscillator quark model as an expansion basis

    International Nuclear Information System (INIS)

    Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo

    1999-01-01

    We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)

  12. Spectra of late type dwarf stars of known abundance for stellar population models

    Science.gov (United States)

    Oconnell, R. W.

    1990-01-01

    The project consisted of two parts. The first was to obtain new low-dispersion, long-wavelength, high S/N IUE spectra of F-G-K dwarf stars with previously determined abundances, temperatures, and gravities. To insure high quality, the spectra are either trailed, or multiple exposures are taken within the large aperture. Second, the spectra are assembled into a library which combines the new data with existing IUE Archive data to yield mean spectral energy distributions for each important type of star. My principal responsibility is the construction and maintenance of this UV spectral library. It covers the spectral range 1200-3200A and is maintained in two parts: a version including complete wavelength coverage at the full spectral resolution of the Low Resolution cameras; and a selected bandpass version, consisting of the mean flux in pre-selected 20A bands. These bands are centered on spectral features or continuum regions of special utility - e.g. the C IV lambda 1550 or Mg II lambda 2800 feature. In the middle-UV region, special emphasis is given to those features (including continuum 'breaks') which are most useful in the study of F-G-K star spectra in the integrated light of old stellar populations.

  13. Modeling and measurements of XRD spectra of extended solids under high pressure

    Science.gov (United States)

    Batyrev, I. G.; Coleman, S. P.; Stavrou, E.; Zaug, J. M.; Ciezak-Jenkins, J. A.

    2017-06-01

    We present results of evolutionary simulations based on density functional calculations of various extended solids: N-Si and N-H using variable and fixed concentration methods of USPEX. Predicted from the evolutionary simulations structures were analyzed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction spectra. Stability of the predicted system was estimated from convex-hull plots. X-ray diffraction spectra were calculated using a virtual diffraction algorithm which computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculations of thousands of XRD spectra were used to search for a structure of extended solids at certain pressures with best fits to experimental data according to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Comparison of Raman and IR spectra calculated for best fitted structures with available experimental data shows reasonable agreement for certain vibration modes. Part of this work was performed by LLNL, Contract DE-AC52-07NA27344. We thank the Joint DoD / DOE Munitions Technology Development Program, the HE C-II research program at LLNL and Advanced Light Source, supported by BES DOE, Contract No. DE-AC02-05CH112.

  14. MCNP modelling of scintillation-detector gamma-ray spectra from natural radionuclides

    NARCIS (Netherlands)

    Hendriks, Peter; Maucec, M; de Meijer, RJ

    gamma-ray spectra of natural radionuclides are simulated for a BGO detector in a borehole geometry using the Monte Carlo code MCNP. All gamma-ray emissions of the decay of K-40 and the series of Th-232 and U-238 are used to describe the source. A procedure is proposed which excludes the

  15. Modeling and interpretation of electrical impedance spectra of dye solar cells operated under open-circuit conditions

    International Nuclear Information System (INIS)

    Kern, R.; Sastrawan, R.; Ferber, J.; Stangl, R.; Luther, J.

    2002-01-01

    Electrical impedance spectroscopy (EIS) was applied in order to investigate electrochemical nanocrystalline TiO 2 dye solar cells (DSC). Typically, three characteristic frequency peaks were observed in the spectra. These frequency peaks could be explained by variations of cell parameters and by comparison with intensity-modulated photovoltage spectroscopy (IMVS). It was shown that the low-frequency peak (in the mHz range) corresponds to the Nernstian diffusion within the electrolyte, while the middle-frequency peak (in the 10-100 Hz range) reflects the properties of the photoinjected electrons within the TiO 2 . The high-frequency peak (in the kHz range) corresponds to the charge-transfer at the platinum counter electrode. For a detailed analysis of the spectra, a model was developed which allows the evaluation of EIS spectra, measured under bias illumination and under open-circuit conditions. The influence of cell parameters such as the TiO 2 layer thickness, cell thickness, charge-transfer resistance of the platinum counter electrode, and the lifetime of the photoinjected electrons, on the impedance spectra was studied both experimentally and theoretically. Finally, it is shown that EIS is a measurement method suited well for the investigation of the long-term stability of DSC, as changes of the inner cell parameters can be revealed

  16. Testing electric field models using ring current ion energy spectra from the Equator-S ion composition (ESIC instrument

    Directory of Open Access Journals (Sweden)

    L. M. Kistler

    Full Text Available During the main and early recovery phase of a geomagnetic storm on February 18, 1998, the Equator-S ion composition instrument (ESIC observed spectral features which typically represent the differences in loss along the drift path in the energy range (5–15 keV/e where the drift changes from being E × B dominated to being gradient and curvature drift dominated. We compare the expected energy spectra modeled using a Volland-Stern electric field and a Weimer electric field, assuming charge exchange along the drift path, with the observed energy spectra for H+ and O+. We find that using the Weimer electric field gives much better agreement with the spectral features, and with the observed losses. Neither model, however, accurately predicts the energies of the observed minima.

    Key words. Magnetospheric physics (energetic particles trapped; plasma convection; storms and substorms

  17. Neutron spectra and cross sections for ice and clathrate generated from the synthetic spectrum and synthetic model for molecular solids

    International Nuclear Information System (INIS)

    Petriw, S; Cantargi, F; Granada, R

    2006-01-01

    We present here a Synthetic Model for Molecular Solids, aimed at the description of the interaction of thermal neutrons with this kind of systems.Simple representations of the molecular dynamical modes are used, in order to produce a fair description of neutron scattering kernels and cross sections with a minimum set of input data. Using those spectra, we have generated thermal libraries for M C N P [es

  18. Finite temperature magnon spectra in yttrium iron garnet from a mean field approach in a tight-binding model

    Science.gov (United States)

    Shen, Ka

    2018-04-01

    We study magnon spectra at finite temperature in yttrium iron garnet using a tight-binding model with nearest-neighbor exchange interaction. The spin reduction due to thermal magnon excitation is taken into account via the mean field approximation to the local spin and is found to be different at two sets of iron atoms. The resulting temperature dependence of the spin wave gap shows good agreement with experiment. We find that only two magnon modes are relevant to the ferromagnetic resonance.

  19. FIER: Software for analytical modeling of delayed gamma-ray spectra

    Science.gov (United States)

    Matthews, E. F.; Goldblum, B. L.; Bernstein, L. A.; Quiter, B. J.; Brown, J. A.; Younes, W.; Burke, J. T.; Padgett, S. W.; Ressler, J. J.; Tonchev, A. P.

    2018-05-01

    A new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed γ-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman equations to calculate the time-dependent populations of fission products and their decay daughters resulting from irradiation of a fissionable isotope. These populations are then used in the calculation of γ-ray emission rates to obtain the corresponding delayed γ-ray spectra. FIER output was compared to experimental data obtained by irradiation of a 235U sample in the Godiva critical assembly. This investigation illuminated discrepancies in the input nuclear data libraries, showcasing the usefulness of FIER as a tool to address nuclear data deficiencies through comparison with experimental data. FIER provides traceability between γ-ray emissions and their contributing nuclear species, decay chains, and parent fission fragments, yielding a new capability for the nuclear science community.

  20. Neutron and gamma-ray spectra measurement on the model of the KS-150 reactor radial shielding

    International Nuclear Information System (INIS)

    Holman, M.; Hogel, J.; Marik, J.; Kovarik, K.; Franc, L.; Vespalec, R.

    1977-01-01

    A shortened model of the peripheral region of the KS-150 reactor core consisting of two rows of fuel elements and a reflector was constructed from the peripheral fuel elements of the KS-150 reactor core in an experiment on the TR-0 reactor. The mockup of the thermal shield (10 cm of steel), the pressure vessel (15 cm of steel) and the inner wall of the water biological shielding (2 cm of steel) of the KS-150 reactor were erected outside the TR-0 vessel. Fast neutron and gamma spectra were measured with a stilbene crystal scintillation spectrometer. The resonance neutron spectra were measured with 197 Au, 63 Cu and 23 Na resonance activation detectors. Fast neutron spectra inside the reactor were measured with a 10 mm diameter by 10 mm thick stilbene crystal spectrometer, outside the reactor with a 10 mm diameter by 10 mm thick and a 20 mm diameter by 20 mm thick stilbene crystal spectrometer. Neutron spectra in the energy regions of 1 eV to 3 keV and 0.6 MeV to 0.8 MeV were obtained on the core periphery, on the reflector half-thickness and in front of and behind the reactor thermal shield. Gamma spectra were obtained in front of and behind the thermal shield. It was found that the attenuation of neutron fluxes by the reflector and the thermal shield increased with increasing energy while gamma radiation attenuation decreased with increasing energy. It was not possible to obtain the neutron spectrum in the 10 to 600 keV energy range because suitable detection instrumentation was not available. (J.P.)

  1. GNASH: a preequilibrium, statistical nuclear-model code for calculation of cross sections and emission spectra

    International Nuclear Information System (INIS)

    Young, P.G.; Arthur, E.D.

    1977-11-01

    A new multistep Hauser--Feshbach code that includes corrections for preequilibrium effects is described. The code can calculate up to 60 decay reactions (cross sections and energy spectra) in one computation, and thereby provide considerable flexibility for handling processes with complicated reaction chains. Input parameter setup, problem output, and subroutine descriptions are given along with a sample problem calculation. A brief theoretical description is also included. 8 figures, 3 tables

  2. Modeling of X-ray images and energy spectra produced by stepping lightning leaders

    OpenAIRE

    Xu , Wei; Marshall , Robert A.; Celestin , Sébastien; Pasko , Victor P.

    2017-01-01

    International audience; Recent ground-based measurements at the International Center for Lightning Research and Testing (ICLRT) have greatly improved our knowledge of the energetics, fluence, and evolution of X-ray emissions during natural cloud-to-ground (CG) and rocket-triggered lightning flashes. In this paper, using Monte Carlo simulations and the response matrix of unshielded detectors in the Thunderstorm Energetic Radiation Array (TERA), we calculate the energy spectra of X-rays as woul...

  3. X-ray Reflected Spectra from Accretion Disk Models. III. A Complete Grid of Ionized Reflection Calculations

    Science.gov (United States)

    Garcia, J.; Dauser, T.; Reynolds, C. S.; Kallman, T. R.; McClintock, J. E.; Wilms, J.; Ekmann, W.

    2013-01-01

    We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code xillver that incorporates new routines and a richer atomic data base. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Gamma of the illuminating radiation, the ionization parameter zeta at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A(sub Fe) relative to the solar value. The ranges of the parameters covered are: 1.2 <= Gamma <= 3.4, 1 <= zeta <= 104, and 0.5 <= A(sub Fe) <= 10. These ranges capture the physical conditions typically inferred from observations of active galactic nuclei, and also stellar-mass black holes in the hard state. This library is intended for use when the thermal disk flux is faint compared to the incident power-law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file suitable for the analysis of X-ray observations via the atable model in xspec. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of xillver.

  4. Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model

    Energy Technology Data Exchange (ETDEWEB)

    Shi, L.; Ni, Y.; Drews, S. E. P.; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

    2014-08-28

    Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm{sup −1} in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecular interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.

  5. BETA SPECTRA. I. Negatrons spectra

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Garcia-Torano, E.

    1978-01-01

    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  6. Ab-initio modeling of an iron laser-induced plasma: Comparison between theoretical and experimental atomic emission spectra

    International Nuclear Information System (INIS)

    Colgan, J.; Judge, E.J.; Kilcrease, D.P.; Barefield, J.E.

    2014-01-01

    We report on efforts to model the Fe emission spectrum generated from laser-induced breakdown spectroscopy (LIBS) measurements on samples of pure iron oxide (Fe 2 O 3 ). Our modeling efforts consist of several components. We begin with ab-initio atomic structure calculations performed by solving the Hartree–Fock equations for the neutral and singly ionized stages of Fe. Our energy levels are then adjusted to their experimentally known values. The atomic transition probabilities and atomic collision quantities are also computed in an ab-initio manner. We perform LTE or non-LTE calculations that generate level populations and, subsequently, an emission spectrum for the iron plasma for a range of electron temperatures and electron densities. Such calculations are then compared to the experimental spectrum. We regard our work as a preliminary modeling effort that ultimately strives towards the modeling of emission spectra from even more complex samples where less atomic data are available. - Highlights: • LIBS plasma of iron oxide • Ab-initio theoretical Modeling • Discussion of LTE versus non-LTE criteria and assessment • Boltzmann plots for Fe—determination of when LTE is a valid assumption • Emission spectra for Fe—comparison of theoretical modeling and measurement: good agreement obtained

  7. A model independent method to deconvolve hard X-ray spectra

    International Nuclear Information System (INIS)

    Polcaro, V.F.; Bazzano, A.; Ubertini, P.; La Padula, C.

    1984-01-01

    A general purpose method to deconvolve the energy spectra detected by means of the use of a hard X-ray telescope is described. The procedure does not assume any form of input spectrum and the observed energy loss spectrum is directly deconvolved into the incident photon spectrum, the form of which can be determined independently of physical interpretation of the data. Deconvolution of the hard X-ray spectrum of Her X-1, detected during the HXR 81M experiment, by the method independent method is presented. (orig.)

  8. Predicting the Shifts of Absorption Maxima of Azulene Derivatives Using Molecular Modeling and ZINDO CI Calculations of UV-Vis Spectra

    Science.gov (United States)

    Patalinghug, Wyona C.; Chang, Maharlika; Solis, Joanne

    2007-01-01

    The deep blue color of azulene is drastically changed by the addition of substituents such as CH[subscript 3], F, or CHO. Computational semiempirical methods using ZINDO CI are used to model azulene and azulene derivatives and to calculate their UV-vis spectra. The calculated spectra are used to show the trends in absorption band shifts upon…

  9. Prediction of long-residue properties of potential blends from mathematically mixed infrared spectra of pure crude oils by partial least-squares regression models

    NARCIS (Netherlands)

    de Peinder, P.; Visser, T.; Petrauskas, D.D.; Salvatori, F.; Soulimani, F.; Weckhuysen, B.M.

    2009-01-01

    Research has been carried out to determine the feasibility of partial least-squares (PLS) regression models to predict the long-residue (LR) properties of potential blends from infrared (IR) spectra that have been created by linearly co-adding the IR spectra of crude oils. The study is the follow-up

  10. New Spectral Model for Constraining Torus Covering Factors from Broadband X-Ray Spectra of Active Galactic Nuclei

    Science.gov (United States)

    Baloković, M.; Brightman, M.; Harrison, F. A.; Comastri, A.; Ricci, C.; Buchner, J.; Gandhi, P.; Farrah, D.; Stern, D.

    2018-02-01

    The basic unified model of active galactic nuclei (AGNs) invokes an anisotropic obscuring structure, usually referred to as a torus, to explain AGN obscuration as an angle-dependent effect. We present a new grid of X-ray spectral templates based on radiative transfer calculations in neutral gas in an approximately toroidal geometry, appropriate for CCD-resolution X-ray spectra (FWHM ≥ 130 eV). Fitting the templates to broadband X-ray spectra of AGNs provides constraints on two important geometrical parameters of the gas distribution around the supermassive black hole: the average column density and the covering factor. Compared to the currently available spectral templates, our model is more flexible, and capable of providing constraints on the main torus parameters in a wider range of AGNs. We demonstrate the application of this model using hard X-ray spectra from NuSTAR (3–79 keV) for four AGNs covering a variety of classifications: 3C 390.3, NGC 2110, IC 5063, and NGC 7582. This small set of examples was chosen to illustrate the range of possible torus configurations, from disk-like to sphere-like geometries with column densities below, as well as above, the Compton-thick threshold. This diversity of torus properties challenges the simple assumption of a standard geometrically and optically thick toroidal structure commonly invoked in the basic form of the unified model of AGNs. Finding broad consistency between our constraints and those from infrared modeling, we discuss how the approach from the X-ray band complements similar measurements of AGN structures at other wavelengths.

  11. Applying a physical continuum model to describe the broadband X-ray spectra of accreting pulsars at high luminosity

    Science.gov (United States)

    Pottschmidt, Katja; Hemphill, Paul B.; Wolff, Michael T.; Cheatham, Diana M.; Iwakiri, Wataru; Gottlieb, Amy M.; Falkner, Sebastian; Ballhausen, Ralf; Fuerst, Felix; Kuehnel, Matthias; Ferrigno, Carlo; Becker, Peter A.; Wood, Kent S.; Wilms, Joern

    2018-01-01

    A new window for better understanding the accretion onto strongly magnetized neutron stars in X-ray binaries is opening. In these systems the accreted material follows the magnetic field lines as it approaches the neutron star, forming accretion columns above the magnetic poles. The plasma falls toward the neutron star surface at near-relativistic speeds, losing energy by emitting X-rays. The X-ray spectral continua are commonly described using phenomenological models, i.e., power laws with different types of curved cut-offs at higher energies. Here we consider high luminosity pulsars. In these systems the mass transfer rate is high enough that the accreting plasma is thought to be decelerated in a radiation-dominated radiative shock in the accretion columns. While the theory of the emission from such shocks had already been developed by 2007, a model for direct comparison with X-ray continuum spectra in xspec or isis has only recently become available. Characteristic parameters of this model are the accretion column radius and the plasma temperature, among others. Here we analyze the broadband X-ray spectra of the accreting pulsars Centaurus X-3 and 4U 1626-67 obtained with NuSTAR. We present results from traditional empirical modeling as well as successfully apply the radiation-dominated radiative shock model. We also take the opportunity to compare to similar recent analyses of both sources using these and other observations.

  12. Long-term MST radar observations of vertical wave number spectra of gravity waves in the tropical troposphere over Gadanki (13.5° N, 79.2° E: comparison with model spectra

    Directory of Open Access Journals (Sweden)

    S. Vijaya Bhaskara Rao

    2008-06-01

    Full Text Available The potential utility of Mesosphere-Stratosphere-Troposphere (MST radar measurements of zonal, meridional and vertical winds for divulging the gravity wave vertical wave number spectra is discussed. The data collected during the years 1995–2004 are used to obtain the mean vertical wave number spectra of gravity wave kinetic energy in the tropical troposphere over Gadanki (13.5° N, 79.2° E. First, the climatology of 3-dimensional wind components is developed using ten years of radar observations, for the first time, over this latitude. This climatology brought out the salient features of background tropospheric winds over Gadanki. Further, using the second order polynomial fit as background, the day-to-day wind anomalies are estimated. These wind anomalies in the 4–14 km height regions are used to estimate the profiles of zonal, meridional and vertical kinetic energy per unit mass, which are then used to estimate the height profile of total kinetic energy. Finally, the height profiles of total kinetic energy are subjected to Fourier analysis to obtain the monthly mean vertical wave number spectra of gravity wave kinetic energy. The monthly mean vertical wave number spectra are then compared with a saturation spectrum predicted by gravity wave saturation theory. A slope of 5/3 is used for the model gravity wave spectrum estimation. In general, the agreement is good during all the months. However, it is noticed that the model spectrum overestimates the PSD at lower vertical wave numbers and underestimates it at higher vertical wave numbers, which is consistently observed during all the months. The observed discrepancies are attributed to the differences in the slopes of theoretical and observed gravity wave spectra. The slopes of the observed vertical wave number spectra are estimated and compared with the model spectrum slope, which are in good agreement. The estimated slopes of the observed monthly vertical wave number spectra are in the

  13. Transverse momentum spectra of hadrons in p + p collisions at CERN SPS energies from the UrQMD transport model

    Science.gov (United States)

    Ozvenchuk, V.; Rybicki, A.

    2018-05-01

    The UrQMD transport model, version 3.4, is used to study the new experimental data on transverse momentum spectra of π±, K±, p and p bar produced in inelastic p + p interactions at SPS energies, recently published by the NA61/SHINE Collaboration. The comparison of model predictions to these new measurements is presented as a function of collision energy for central and forward particle rapidity intervals. In addition, the inverse slope parameters characterizing the transverse momentum distributions are extracted from the predicted spectra and compared to the corresponding values obtained from NA61/SHINE distributions, as a function of particle rapidity and collision energy. A complex pattern of deviations between the experimental data and the UrQMD model emerges. For charged pions, the fair agreement visible at top SPS energies deteriorates with the decreasing energy. For charged K mesons, UrQMD significantly underpredicts positive kaon production at lower beam momenta. It also underpredicts the central rapidity proton yield at top collision energy and overpredicts antiproton production at all considered energies. We conclude that the new experimental data analyzed in this paper still constitute a challenge for the present version of the model.

  14. Investigation of the impact of defect models on Monte Carlo simulations of RBS/C spectra

    International Nuclear Information System (INIS)

    Kovac, D.; Hobler, G.

    2006-01-01

    We compare the impact on the RBS/C spectra of defect configurations in silicon obtained from either empirical interatomic potentials or ab initio calculations. Using the Tersoff potential as the empirical potential and the VASP code for ab initio calculations we have determined the coordinates of the split- interstitial, of the di-, tri- and four-interstitial cluster, and of the tetrahedral interstitial as well as the strain on neighboring atoms induced by the presence of these defects. Using these coordinates in binary collision RBS/C simulations we find differences in the RBS/C yields of up to 30%. The dependence of the backscattering yield on the assumed defect type is larger with the defect coordinates obtained by the empirical potential than by the ab initio calculations

  15. Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Duxbury, Geoffrey [Department of Physics, SUPA, University of Strathclyde, John Anderson Building, 107 Rottenrow, Glagow G4 0NG, Scotland (United Kingdom)

    2015-01-22

    Recently there has been a renewal of interest in the spectroscopy and dynamics of the formation and fragmentation of the hydrogen sulphide ion, including. rotationally resolved spectra of higher vibrational states of the ∼A{sup 2}A{sub 1}−∼X{sup 2}B{sub 1} system than were obtained previously, and a comprehensive imaging study of the photo-fragmentation routes of highly excited H{sub 2}S{sup +}. In collaboration with Ch. Jungen and A. Alijah I have extended our previous l basis approach to the calculation of the effects of orbital angular momentum in H{sub 2}S{sup +} to include the stretch - bender extensions, with the options of using either the K- or l basis. This new code is being used to calculate the complicated orbital angular momentum and spin-orbit coupling effects responsible for the ro-vibronic pattern measured in some of the new experimental results.

  16. Model-independent evaluation of recoils channeling impact on visible energy spectra in dark matter particles crystalline detectors

    International Nuclear Information System (INIS)

    Dyuldya, S.V.; Bratchenko, M.I.

    2012-01-01

    Proposed is a direct method of Dark Matter crystalline scintillation detectors calibration by means of an atomistic molecular dynamics modeling of their responses to ∼10 keV recoil atoms. Simulations show that the recoils channeling exists in NaI lattice with probabilities of ∼5 - 15 %. It does not affect the mean values of quenching factors but gives rise to high visible energy spectral tails absent in disordered detectors. As a result, the lattice ordering manifests the ∼100 % effect on NaI(Tl) visible energy spectra at 2-6 keV window

  17. Imprints of the Molecular Electronic Structure in the Photoelectron Spectra of Strong-Field Ionized Asymmetric Triatomic Model Molecules

    Science.gov (United States)

    Paul, Matthias; Yue, Lun; Gräfe, Stefanie

    2018-06-01

    We examine the circular dichroism in the angular distribution of photoelectrons of triatomic model systems ionized by strong-field ionization. Following our recent work on this effect [Paul, Yue, and Gräfe, J. Mod. Opt. 64, 1104 (2017), 10.1080/09500340.2017.1299883], we demonstrate how the symmetry and electronic structure of the system is imprinted into the photoelectron momentum distribution. We use classical trajectories to reveal the origin of the threefolded pattern in the photoelectron momentum distribution, and show how an asymmetric nuclear configuration of the triatomic system effects the photoelectron spectra.

  18. On the acceptor-related photoluminescence spectra of GaAs quantum-wire microcrystals: A model calculation

    International Nuclear Information System (INIS)

    Oliveira, L.E.; Porras Montenegro, N.; Latge, A.

    1992-07-01

    The acceptor-related photoluminescence spectrum of a GaAs quantum-wire microcrystal is theoretically investigated via a model calculation within the effective-mass approximation, with the acceptor envelope wave functions and binding energies calculated through a variational procedure. Typical theoretical photoluminescence spectra show two peaks associated to transitions from the n = 1 conduction subband electron gas to acceptors at the on-center and on-edge positions in the wire in good agreement with the recent experimental results by Hirum et al. (Appl. Phys. Lett. 59, 431 (1991)). (author). 14 refs, 3 figs

  19. Searches of exotic Higgs bosons in general mass spectra of the Georgi-Machacek model at the LHC

    International Nuclear Information System (INIS)

    Chiang, Cheng-Wei; Kuo, An-Li; Yamada, Toshifumi

    2016-01-01

    We derive the most general sets of viable mass spectra of the exotic Higgs bosons in the Georgi-Machacek model that are consistent with the theoretical constraints of vacuum stability and perturbative unitarity and the experimental constraints of electroweak precision observables, Zbb̄ coupling and Higgs boson signal strengths. Branching ratios of various cascade decay channels of the doubly-charged Higgs boson in the 5 representation, the singly-charged Higgs boson in 3, and the singlet Higgs boson are further computed. As one of the most promising channels for discovering the model, we study the prospects for detecting the doubly-charged Higgs boson that is produced via the vector boson fusion process and decays into final states containing a pair of same-sign leptons at the 14-TeV LHC and a 100-TeV future pp collider. For this purpose, we evaluate acceptance times efficiency for signals of the doubly-charged Higgs boson with general viable mass spectra and compare it with the standard model background estimates.

  20. The Zone of Avoidance as an X-ray absorber - the role of the galactic foreground modelling Swift XRT spectra

    Science.gov (United States)

    Racz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horvath, I.; Zahorecz, S.

    2018-05-01

    Gamma-ray bursts (GRBs) are the most powerful explosive events in the Universe. The prompt gamma emission is followed by an X-ray afterglow that is also detected for over nine hundred GRBs by the Swift BAT and XRT detectors. The X-ray afterglow spectrum bears essential information about the burst, and the surrounding interstellar medium (ISM). Since the radiation travels through the line of sight intergalactic medium and the ISM in the Milky Way, the observed emission is influenced by extragalactic and galactic components. The column density of the Galactic foreground ranges several orders of magnitudes, due to both the large scale distribution of ISM and its small scale structures. We examined the effect of local HI column density on the penetrating X-ray emission, as the first step towards a precise modeling of the measured X-ray spectra. We fitted the X-ray spectra using the Xspec software, and checked how the shape of the initially power low spectrum changes with varying input Galactic HI column density. The total absorbing HI column is a sum of the intrinsic and Galactic component. We also investigated the model results for the intrinsic component varying the Galactic foreground. We found that such variations may alter the intrinsic hydrogen column density up to twenty-five percent. We will briefly discuss its consequences.

  1. Self-consistent modelling of X-ray photoelectron spectra from air-exposed polycrystalline TiN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Greczynski, G., E-mail: grzgr@ifm.liu.se; Hultman, L.

    2016-11-30

    Highlights: • We present first self-consistent model of TiN core level spectra with a cross-peak qualitative and quantitative agreement. • Model is tested for a series of TiN thin films oxidized to different extent by varying the venting temperature. • Conventional deconvolution process relies on reference binding energies that typically show large spread introducing ambiguity. • By imposing requirement of quantitative cross-peak self-consistency reliability of extracted chemical information is enhanced. • We propose that the cross-peak self-consistency should be a prerequisite for reliable XPS peak modelling. - Abstract: We present first self-consistent modelling of x-ray photoelectron spectroscopy (XPS) Ti 2p, N 1s, O 1s, and C 1s core level spectra with a cross-peak quantitative agreement for a series of TiN thin films grown by dc magnetron sputtering and oxidized to different extent by varying the venting temperature T{sub v} of the vacuum chamber before removing the deposited samples. So-obtained film series constitute a model case for XPS application studies, where certain degree of atmosphere exposure during sample transfer to the XPS instrument is unavoidable. The challenge is to extract information about surface chemistry without invoking destructive pre-cleaning with noble gas ions. All TiN surfaces are thus analyzed in the as-received state by XPS using monochromatic Al Kα radiation (hν = 1486.6 eV). Details of line shapes and relative peak areas obtained from deconvolution of the reference Ti 2p and N 1 s spectra representative of a native TiN surface serve as an input to model complex core level signals from air-exposed surfaces, where contributions from oxides and oxynitrides make the task very challenging considering the influence of the whole deposition process at hand. The essential part of the presented approach is that the deconvolution process is not only guided by the comparison to the reference binding energy values that often show

  2. The statistical model calculation of prompt neutron spectra from spontaneous fission of {sup 244}Cm and {sup 246}Cm

    Energy Technology Data Exchange (ETDEWEB)

    Gerasimenko, B.F. [V.G. Khlopin Radium Inst., Saint Peterburg (Russian Federation)

    1997-03-01

    The calculations of integral spectra of prompt neutrons of spontaneous fission of {sup 244}Cm and {sup 246}Cm were carried out. The calculations were done by the Statistical Computer Code Complex SCOFIN applying the Hauser-Feschbach method as applied to the description of the de-excitation of excited fission fragments by means of neutron emission. The emission of dipole gamma-quanta from these fragments was considered as a competing process. The average excitation energy of a fragment was calculated by two-spheroidal model of tangent fragments. The density of levels in an excited fragment was calculated by the Fermi-gas model. The quite satisfactory agreement was reached between theoretical and experimental results obtained in frames of Project measurements. The calculated values of average multiplicities of neutron number were 2,746 for {sup 244}Cm and 2,927 for {sup 246}Cm that was in a good accordance with published experimental figures. (author)

  3. Structure, Raman spectra and defect chemistry modelling of conductive pyrochlore oxides

    DEFF Research Database (Denmark)

    Poulsen, F.W.; Glerup, M.; Holtappels, P.

    2000-01-01

    -O(x) and V-O on the O site, interstitial oxygens O-i", and delocalised electrons and electron holes. Four mass action law expressions govern such a model. The defect model can rationalise why home-valent doping, i.e. substitution of Zr(4+) by Ce(4+), can lead to an increase in ionic conductivity...

  4. Measurement and model description of differential neutron spectra of the californium 252 spontaneous fission depending on THETA, Msub(T), Esub(kin sum)

    International Nuclear Information System (INIS)

    Vasil'ev, Yu.A.; Sidorov, L.V.; Vasil'eva, N.K.; Barashkov, Yu.A.; Golovanov, O.A.; Kopalkin, N.V.; Nemudrov, N.I.; Surin, V.M.; Khachaturov, Yu.F.

    1984-01-01

    The results of the 4π-spectrometer mesurement of the neutron spectra in the 26-154 deg angle range for seven groups of fragments with different masses and total kinetic energies are given. Experimental spectra have been analyzed for consistency with the evaporation model of neutrons from moving fragments. The results of an analysis of differential neutron spectra shows that the main reason of the ''yearly'' neutron emission is a neutron evaporation from fragments with large excitation energy and from fragments with neutron number N>82 during the time as compared with the time of fragment acceleration

  5. Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates.

    Science.gov (United States)

    Cerezo, Javier; Santoro, Fabrizio

    2016-10-11

    Vertical models for the simulation of spectroscopic line shapes expand the potential energy surface (PES) of the final state around the equilibrium geometry of the initial state. These models provide, in principle, a better approximation of the region of the band maximum. At variance, adiabatic models expand each PES around its own minimum. In the harmonic approximation, when the minimum energy structures of the two electronic states are connected by large structural displacements, adiabatic models can breakdown and are outperformed by vertical models. However, the practical application of vertical models faces the issues related to the necessity to perform a frequency analysis at a nonstationary point. In this contribution we revisit vertical models in harmonic approximation adopting both Cartesian (x) and valence internal curvilinear coordinates (s). We show that when x coordinates are used, the vibrational analysis at nonstationary points leads to a deficient description of low-frequency modes, for which spurious imaginary frequencies may even appear. This issue is solved when s coordinates are adopted. It is however necessary to account for the second derivative of s with respect to x, which here we compute analytically. We compare the performance of the vertical model in the s-frame with respect to adiabatic models and previously proposed vertical models in x- or Q 1 -frame, where Q 1 are the normal coordinates of the initial state computed as combination of Cartesian coordinates. We show that for rigid molecules the vertical approach in the s-frame provides a description of the final state very close to the adiabatic picture. For sizable displacements it is a solid alternative to adiabatic models, and it is not affected by the issues of vertical models in x- and Q 1 -frames, which mainly arise when temperature effects are included. In principle the G matrix depends on s, and this creates nonorthogonality problems of the Duschinsky matrix connecting the normal

  6. A phenomenological biological dose model for proton therapy based on linear energy transfer spectra.

    Science.gov (United States)

    Rørvik, Eivind; Thörnqvist, Sara; Stokkevåg, Camilla H; Dahle, Tordis J; Fjaera, Lars Fredrik; Ytre-Hauge, Kristian S

    2017-06-01

    The relative biological effectiveness (RBE) of protons varies with the radiation quality, quantified by the linear energy transfer (LET). Most phenomenological models employ a linear dependency of the dose-averaged LET (LET d ) to calculate the biological dose. However, several experiments have indicated a possible non-linear trend. Our aim was to investigate if biological dose models including non-linear LET dependencies should be considered, by introducing a LET spectrum based dose model. The RBE-LET relationship was investigated by fitting of polynomials from 1st to 5th degree to a database of 85 data points from aerobic in vitro experiments. We included both unweighted and weighted regression, the latter taking into account experimental uncertainties. Statistical testing was performed to decide whether higher degree polynomials provided better fits to the data as compared to lower degrees. The newly developed models were compared to three published LET d based models for a simulated spread out Bragg peak (SOBP) scenario. The statistical analysis of the weighted regression analysis favored a non-linear RBE-LET relationship, with the quartic polynomial found to best represent the experimental data (P = 0.010). The results of the unweighted regression analysis were on the borderline of statistical significance for non-linear functions (P = 0.053), and with the current database a linear dependency could not be rejected. For the SOBP scenario, the weighted non-linear model estimated a similar mean RBE value (1.14) compared to the three established models (1.13-1.17). The unweighted model calculated a considerably higher RBE value (1.22). The analysis indicated that non-linear models could give a better representation of the RBE-LET relationship. However, this is not decisive, as inclusion of the experimental uncertainties in the regression analysis had a significant impact on the determination and ranking of the models. As differences between the models were

  7. A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

    Science.gov (United States)

    Panda, Saswati; Sahoo, D. D.; Rout, G. C.

    2018-04-01

    We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.

  8. Detection and quantification of creep strain using process compensated resonance testing (PCRT) sorting modules trained with modeled resonance spectra

    Science.gov (United States)

    Heffernan, Julieanne; Biedermann, Eric; Mayes, Alexander; Livings, Richard; Jauriqui, Leanne; Goodlet, Brent; Aldrin, John C.; Mazdiyasni, Siamack

    2018-04-01

    Process Compensated Resonant Testing (PCRT) is a full-body nondestructive testing (NDT) method that measures the resonance frequencies of a part and correlates them to the part's material and/or damage state. PCRT testing is used in the automotive, aerospace, and power generation industries via automated PASS/FAIL inspections to distinguish parts with nominal process variation from those with the defect(s) of interest. Traditional PCRT tests are created through the statistical analysis of populations of "good" and "bad" parts. However, gathering a statistically significant number of parts can be costly and time-consuming, and the availability of defective parts may be limited. This work uses virtual databases of good and bad parts to create two targeted PCRT inspections for single crystal (SX) nickel-based superalloy turbine blades. Using finite element (FE) models, populations were modeled to include variations in geometric dimensions, material properties, crystallographic orientation, and creep damage. Model results were verified by comparing the frequency variation in the modeled populations with the measured frequency variations of several physical blade populations. Additionally, creep modeling results were verified through the experimental evaluation of coupon geometries. A virtual database of resonance spectra was created from the model data. The virtual database was used to create PCRT inspections to detect crystallographic defects and creep strain. Quantification of creep strain values using the PCRT inspection results was also demonstrated.

  9. Simulations and cosmological inference: A statistical model for power spectra means and covariances

    International Nuclear Information System (INIS)

    Schneider, Michael D.; Knox, Lloyd; Habib, Salman; Heitmann, Katrin; Higdon, David; Nakhleh, Charles

    2008-01-01

    We describe an approximate statistical model for the sample variance distribution of the nonlinear matter power spectrum that can be calibrated from limited numbers of simulations. Our model retains the common assumption of a multivariate normal distribution for the power spectrum band powers but takes full account of the (parameter-dependent) power spectrum covariance. The model is calibrated using an extension of the framework in Habib et al. (2007) to train Gaussian processes for the power spectrum mean and covariance given a set of simulation runs over a hypercube in parameter space. We demonstrate the performance of this machinery by estimating the parameters of a power-law model for the power spectrum. Within this framework, our calibrated sample variance distribution is robust to errors in the estimated covariance and shows rapid convergence of the posterior parameter constraints with the number of training simulations.

  10. Preventive efficacy of NexGard Spectra® against Dipylidium caninum infection in dogs using a natural flea (Ctenocephalides felis) infestation model

    OpenAIRE

    Beugnet Frédéric; Meyer Leon; Fourie Josephus; Larsen Diane

    2017-01-01

    The efficacy of a monthly oral endectocide product, NexGard Spectra? (Merial), a combination of afoxolaner and milbemycin oxime, was evaluated in a flea (Ctenocephalides felis) challenge model for the prevention of Dipylidium caninum tapeworm infection in dogs. The efficacy of treatment with NexGard Spectra? was assessed in 10 dogs following weekly flea infestation with metacestode naturally infected fleas and compared with that in 10 untreated control dogs. The 100 fleas deposited weekly on ...

  11. Detailed dynamic solid oxide fuel cell modeling for electrochemical impedance spectra simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, Ph. [Laboratory of Steam Boilers and Thermal Plants, School of Mechanical Engineering, Thermal Engineering Section, National Technical University of Athens, Heroon Polytechniou 9, 15780 Athens (Greece); Panopoulos, K.D. [Institute for Solid Fuels Technology and Applications, Centre for Research and Technology Hellas, 4th km. Ptolemais-Mpodosakeio Hospital, Region of Kouri, P.O. Box 95, GR 502, 50200 Ptolemais (Greece)

    2010-08-15

    This paper presents a detailed flexible mathematical model for planar solid oxide fuel cells (SOFCs), which allows the simulation of steady-state performance characteristics, i.e. voltage-current density (V-j) curves, and dynamic operation behavior, with a special capability of simulating electrochemical impedance spectroscopy (EIS). The model is based on physico-chemical governing equations coupled with a detailed multi-component gas diffusion mechanism (Dusty-Gas Model (DGM)) and a multi-step heterogeneous reaction mechanism implicitly accounting for the water-gas-shift (WGS), methane reforming and Boudouard reactions. Spatial discretization can be applied for 1D (button-cell approximation) up to quasi-3D (full size anode supported cell in cross-flow configuration) geometries and is resolved with the finite difference method (FDM). The model is built and implemented on the commercially available modeling and simulations platform gPROMS trademark. Different fuels based on hydrogen, methane and syngas with inert diluents are run. The model is applied to demonstrate a detailed analysis of the SOFC inherent losses and their attribution to the EIS. This is achieved by means of a step-by-step analysis of the involved transient processes such as gas conversion in the main gas chambers/channels, gas diffusion through the porous electrodes together with the heterogeneous reactions on the nickel catalyst, and the double-layer current within the electrochemical reaction zone. The model is an important tool for analyzing SOFC performance fundamentals as well as for design and optimization of materials' and operational parameters. (author)

  12. Impact of entrainment on cloud droplet spectra: theory, observations, and modeling

    Science.gov (United States)

    Grabowski, W.

    2016-12-01

    Understanding the impact of entrainment and mixing on microphysical properties of warm boundary layer clouds is an important aspect of the representation of such clouds in large-scale models of weather and climate. Entrainment leads to a reduction of the liquid water content in agreement with the fundamental thermodynamics, but its impact on the droplet spectrum is difficult to quantify in observations and modeling. For in-situ (e.g., aircraft) observations, it is impossible to follow air parcels and observe processes that lead to changes of the droplet spectrum in different regions of a cloud. For similar reasons traditional modeling methodologies (e.g., the Eulerian large eddy simulation) are not useful either. Moreover, both observations and modeling can resolve only relatively narrow range of spatial scales. Theory, typically focusing on differences between idealized concepts of homogeneous and inhomogeneous mixing, is also of a limited use for the multiscale turbulent mixing between a cloud and its environment. This presentation will illustrate the above points and argue that the Lagrangian large-eddy simulation with appropriate subgrid-scale scheme may provide key insights and eventually lead to novel parameterizations for large-scale models.

  13. The heliocentric evolution of cometary infrared spectra - Results from an organic grain model

    Science.gov (United States)

    Chyba, Christopher F.; Sagan, Carl; Mumma, Michael J.

    1989-01-01

    An emission feature peaking near 3.4 microns that is typical of C-H stretching in hydrocarbons and which fits a simple, two-component thermal emission model for dust in the cometary coma, has been noted in observations of Comets Halley and Wilson. A noteworthy consequence of this modeling is that, at about 1 AU, emission features at wavelengths longer than 3.4 microns come to be 'diluted' by continuum emission. A quantitative development of the model shows it to agree with observational data for Comet Halley for certain, plausible values of the optical constants; the observed heliocentric evolution of the 3.4-micron feature thereby furnishes information on the composition of the comet's organic grains.

  14. Algorithm comparison and benchmarking using a parallel spectra transform shallow water model

    Energy Technology Data Exchange (ETDEWEB)

    Worley, P.H. [Oak Ridge National Lab., TN (United States); Foster, I.T.; Toonen, B. [Argonne National Lab., IL (United States)

    1995-04-01

    In recent years, a number of computer vendors have produced supercomputers based on a massively parallel processing (MPP) architecture. These computers have been shown to be competitive in performance with conventional vector supercomputers for some applications. As spectral weather and climate models are heavy users of vector supercomputers, it is interesting to determine how these models perform on MPPS, and which MPPs are best suited to the execution of spectral models. The benchmarking of MPPs is complicated by the fact that different algorithms may be more efficient on different architectures. Hence, a comprehensive benchmarking effort must answer two related questions: which algorithm is most efficient on each computer and how do the most efficient algorithms compare on different computers. In general, these are difficult questions to answer because of the high cost associated with implementing and evaluating a range of different parallel algorithms on each MPP platform.

  15. Measurement of characteristic to total spectrum ratio of tungsten X-ray spectra for the validation of the modified Tbc model

    International Nuclear Information System (INIS)

    Lopez G, A. H.; Costa, P. R.; Tomal, A.

    2014-08-01

    Primary X-ray spectra were measured in the range of 80 to 150 kV in order to validate a computer program based on a semiempirical model for X-ray spectra evaluation(tbc and mod). The ratio between the characteristic lines and total spectrum was considered for comparing the simulated results and experimental data. The raw spectra measured by the Cd Te detector were corrected by the detector efficiency, Compton effects and characteristic Cd and Te X-rays escape peaks, using a software specifically developed. The software Origin 8.5.1 was used to calculate the spectra and characteristic peaks areas. The obtained result shows that the experimental spectra have higher effective energy than the simulated spectra computed with tbc and mod software. The behavior of the ratio between the characteristic lines and total spectrum for simulated data presents discrepancy with the experimental result. Computed results are in good agreement with theoretical data published by Green, for spectra obtained with 3.04 mm of additional aluminum filtration. The difference of characteristic to total spectrum ratio between experimental and simulated data increases with the tube voltage. (Author)

  16. Measurement of characteristic to total spectrum ratio of tungsten X-ray spectra for the validation of the modified Tbc model

    Energy Technology Data Exchange (ETDEWEB)

    Lopez G, A. H.; Costa, P. R. [University of Sao Paulo, Institute of Physics, Laboratory of Radiation Dosimetry and Medical Physics, Matao Street, alley R, 187, 66318 Sao Paulo (Brazil); Tomal, A., E-mail: ahlopezg@usp.br [Universidade Federal de Goias, Physics Institute, Campus Samambaia, 131 Goiania, Goias (Brazil)

    2014-08-15

    Primary X-ray spectra were measured in the range of 80 to 150 kV in order to validate a computer program based on a semiempirical model for X-ray spectra evaluation(tbc and mod). The ratio between the characteristic lines and total spectrum was considered for comparing the simulated results and experimental data. The raw spectra measured by the Cd Te detector were corrected by the detector efficiency, Compton effects and characteristic Cd and Te X-rays escape peaks, using a software specifically developed. The software Origin 8.5.1 was used to calculate the spectra and characteristic peaks areas. The obtained result shows that the experimental spectra have higher effective energy than the simulated spectra computed with tbc and mod software. The behavior of the ratio between the characteristic lines and total spectrum for simulated data presents discrepancy with the experimental result. Computed results are in good agreement with theoretical data published by Green, for spectra obtained with 3.04 mm of additional aluminum filtration. The difference of characteristic to total spectrum ratio between experimental and simulated data increases with the tube voltage. (Author)

  17. A disordered polaron model for polarized fluorescence excitation spectra of LH1 and LH2 bacteriochlorophyll antenna aggregates

    International Nuclear Information System (INIS)

    Trinkunas, Gediminas; Freiberg, Arvi

    2006-01-01

    Excitonic polarons in antenna complexes are subject to static lattice disorder. A model has been developed to analyze polarized fluorescence excitation spectra of circular light-harvesting complexes from purple photosynthetic bacteria containing bacteriochlorophyll as the main photoactive pigment that includes both diagonal (energetic) and off-diagonal (structural) disorders. Essential differences of disorder realizations seem to exist between the core LH1 and peripheral LH2 complexes from the bacterium Rhodobacter sphaeroides. The disorder in LH1 appears to be dominated by the structural disorder, while that in LH2, by energetic one. These differences may be due to relatively bigger size of the LH1 complex and, consequently, with its enhanced structural flexibility

  18. Understanding Breaks in Flare X-Ray Spectra: Evaluation of a Cospatial Collisional Return-current Model

    Science.gov (United States)

    Alaoui, Meriem; Holman, Gordon D.

    2017-12-01

    Hard X-ray (HXR) spectral breaks are explained in terms of a one-dimensional model with a cospatial return current. We study 19 flares observed by the Ramaty High Energy Solar Spectroscopic Imager with strong spectral breaks at energies around a few deka-keV, which cannot be explained by isotropic albedo or non-uniform ionization alone. We identify these breaks at the HXR peak time, but we obtain 8 s cadence spectra of the entire impulsive phase. Electrons with an initially power-law distribution and a sharp low-energy cutoff lose energy through return-current losses until they reach the thick target, where they lose their remaining energy through collisions. Our main results are as follows. (1) The return-current collisional thick-target model provides acceptable fits for spectra with strong breaks. (2) Limits on the plasma resistivity are derived from the fitted potential drop and deduced electron-beam flux density, assuming the return current is a drift current in the ambient plasma. These resistivities are typically 2–3 orders of magnitude higher than the Spitzer resistivity at the fitted temperature, and provide a test for the adequacy of classical resistivity and the stability of the return current. (3) Using the upper limit of the low-energy cutoff, the return current is always stable to the generation of ion-acoustic and electrostatic ion-cyclotron instabilities when the electron temperature is nine times lower than the ion temperature. (4) In most cases, the return current is most likely primarily carried by runaway electrons from the tail of the thermal distribution rather than by the bulk drifting thermal electrons. For these cases, anomalous resistivity is not required.

  19. ERX: a software for editing files containing X-ray spectra to be used in exposure computational models

    International Nuclear Information System (INIS)

    Cabral, Manuela O.M.; Vieira, Jose W.; Silva, Alysson G.; Leal Neto, Viriato; Oliveira, Alex C.H.; Lima, Fernando R.A.

    2011-01-01

    Exposure Computational Models (ECMs) are utilities that simulate situations in which occurs irradiation in a given environment. An ECM is composed primarily by an anthropomorphic model (phantom), and a Monte Carlo code (MC). This paper presents a tutorial of the software Espectro de Raios-X (ERX). This software performs reading and numerical and graphical analysis of text files containing diagnostic X-ray spectra for use in algorithms of radioactive sources in the ECMs of a Grupo de Dosimetria Numerica. The ERX allows the user to select one among several X-ray spectrums in the energy range Diagnostic radiology X-Ray most commonly used in radiology clinics. In the current version of the ERX there are two types of input files: the contained in mspectra.dat file and the resulting of MC simulations in Geant4. The software allows the construction of charts of the Probability Density Function (PDF) and Cumulative Distribution Function (CDF) of a selected spectrum as well as the table with the values of these functions and the spectrum. In addition, the ERX allows the user to make comparative analysis between the PDF graphics of the two catalogs of spectra available, besides being can perform dosimetric evaluations with the selected spectrum. A software of this kind is an important computational tool for researchers in numerical dosimetry because of the diversity of Diagnostic radiology X-Ray machines, which implies in a mass of input data highly diverse. And because of this, the ERX provides independence to the group related to the data origin that is contained in the catalogs created, not being necessary to resort to others. (author)

  20. Uncertainty analysis in Titan ionospheric simulated ion mass spectra: unveiling a set of issues for models accuracy improvement

    Science.gov (United States)

    Hébrard, Eric; Carrasco, Nathalie; Dobrijevic, Michel; Pernot, Pascal

    Ion Neutral Mass Spectrometer (INMS) aboard Cassini revealed a rich coupled ion-neutral chemistry in the ionosphere, producing heavy hydrocarbons and nitriles ions. The modeling of such a complex environment is challenging, as it requires a detailed and accurate description of the different relevant processes such as photodissociation cross sections and neutral-neutral reaction rates on one hand, and ionisation cross sections, ion-molecule and recombination reaction rates on the other hand. Underpinning models calculations, each of these processes is parameterized by kinetic constants which, when known, have been studied experimentally and/or theoretically over a range of temperatures and pressures that are most often not representative of Titan's atmosphere. The sizeable experimental and theoretical uncertainties reported in the literature merge therefore with the uncertainties resulting subsequently from the unavoidable estimations or extrapolations to Titan's atmosphere conditions. Such large overall uncertainties have to be accounted for in all resulting inferences most of all to evaluate the quality of the model definition. We have undertaken a systematic study of the uncertainty sources in the simulation of ion mass spectra as recorded by Cassini/INMS in Titan ionosphere during the T5 flyby at 1200 km. Our simulated spectra seem much less affected by the uncertainties on ion-molecule reactions than on neutral-neutral reactions. Photochemical models of Titan's atmosphere are indeed so poorly predictive at high altitudes, in the sense that their computed predictions display such large uncertainties, that we found them to give rise to bimodal and hypersensitive abundance distributions for some major compounds like acetylene C2 H2 and ethylene C2 H4 . We will show to what extent global uncertainty and sensitivity analysis enabled us to identify the causes of this bimodality and to pinpoint the key processes that mostly contribute to limit the accuracy of the

  1. X-RAY REFLECTED SPECTRA FROM ACCRETION DISK MODELS. I. CONSTANT DENSITY ATMOSPHERES

    International Nuclear Information System (INIS)

    Garcia, J.; Kallman, T. R.

    2010-01-01

    We present new models for illuminated accretion disks, their structure, and reprocessed emission. We consider the effects of incident X-rays on the surface of an accretion disk by simultaneously solving the equations of radiative transfer, energy balance, and ionization equilibrium over a large range of column densities. We assume plane-parallel geometry and azimuthal symmetry, such that each calculation corresponds to a ring at a given distance from the central object. Our models include recent and complete atomic data for K-shell processes of the iron and oxygen isonuclear sequences. We examine the effect on the spectrum of fluorescent Kα line emission and absorption in the emitted spectrum. We also explore the dependence of the spectrum on the strength of the incident X-rays and other input parameters, and discuss the importance of Comptonization on the emitted spectrum.

  2. A hydrodynamical model of Kepler's supernova remnant constrained by x-ray spectra

    International Nuclear Information System (INIS)

    Ballet, J.; Arnaud, M.; Rothinfluo, R.; Chieze, J.P.; Magne, B.

    1988-01-01

    The remnant of the historical supernova observed by Kepler in 1604 was recently observed in x-rays by the EXOSAT satellite up to 10 keV. A strong Fe K emission line around 6.5 keV is readily apparent in the spectrum. From an analysis of the light curve of the SN, reconstructed from historical descriptions, a previous study proposed to classify it as type I. Standard models of SN I based on carbon deflagration of white dwarf predict the synthesis of about 0.5 M circle of iron in the ejecta. Observing the iron line is a crucial check for such models. It has been argued that the light curve of Sn II-L is very similar to that of SN I and that the original observations are compatible with either type. In view of this uncertainty the authors have run a hydrodynamics-ionization code for both SN II and SN I remnants

  3. Modeling the structure and vibrational spectra for oxouranium dichloride monomer and dimer

    Science.gov (United States)

    Umreiko, D. S.; Shundalau, M. B.; Trubina, O. V.

    2010-11-01

    Structural models are designed and spectral characteristics are computed for the monomer and dimer of the oxouranium dichloride (UOCl2) molecule based on ab initio calculations. The calculations were carried out in the LANL2DZ effective core potential approximation for the uranium atom and all-electron basis sets using DFT methods for oxygen and chlorine atoms (B3LYP/cc-pVDZ). A close-to-planar Y-shaped equilibrium configuration with Cs symmetry is obtained for the UOCl2 monomer. The formation of the dimer is accompanied by both significant changes in the structure of the monomeric fragments and the actual loss of their identities. The obtained spectral characteristics are analyzed and compared with experimental data. The adequacy of the proposed models and qualitative agreement between calculation and experiment are demonstrated.

  4. From theoretical stellar spectra to realistic models of the Milky Way : a never ending Odyssey

    OpenAIRE

    Ammon, Karin

    2007-01-01

    The last chapter is dedicated to the compilation of the results and the discussion about the success of - but also about the problems that have arisen during - and in part also survived - this work. The main goal of this thesis was, firstly, to convert the stellar parameters given by galaxy models into observables, and then to compare these theoretical stellar distributions in different viewing directions with real observational data to check, if it is possible to find a best-fitt...

  5. Wind Profiles and Wave Spectra for Potential Wind Farms in South China Sea. Part II: Wave Spectrum Model

    Directory of Open Access Journals (Sweden)

    Yichao Liu

    2017-01-01

    Full Text Available Along with the commercialization of offshore wind energy in China, the South China Sea has been identified as ideal for constructing offshore wind farms, especially for farms consisting of floating wind turbines over deep waters. Since the wind profiles and wave spectra are somewhat primitive for the design of an offshore wind turbine, engineering models describing the wind and wave characteristics in the South China Sea area are necessary for the offshore wind energy exploitation given the meteorological, hydrological, and geographical differences between the South China Sea and the North/Norwegian Sea, where the commonly used wind profile and wave spectrum models were designated. In the present study; a series of numerical simulations were conducted to reveal the wave characteristics in the South China Sea under both typhoon and non-typhoon conditions. By analyzing the simulation results; the applicability of the Joint North Sea Wave Project (JONSWAP spectrum model; in terms of characterizing the wind-induced wave fields in the South China Sea; was discussed. In detail; the key parameters of the JONSWAP spectrum model; such as the Phillips constant; spectral width parameter; peak-enhancement factor, and high frequency tail decay; were investigated in the context of finding suitable values.

  6. On the mass spectra of the pseudoscalar mesons in the relativistic independent quark model

    International Nuclear Information System (INIS)

    Khrushchev, V.V.; Semenov, S.V.

    2002-01-01

    In the framework of the relativistic independent quark model with the QCD-motivated static potential, the masses of the ground states of pseudoscalar mesons and their radial excitations are calculated for both observed mesons and unobserved ones. The strength of the spin-spin interaction and the magnitude of the mean field contribution are estimated for both the light and heavy 0 -+ mesons. The calculated masses are in agreement with experimental values within an accuracy of 30 - 40 MeV, and the predictions are obtained for the mass values of a number of unobserved yet radial excitations of pseudoscalar mesons

  7. Modeling the lasing spectra of InAs/InP Quantum dash lasers

    KAUST Repository

    Khan, Mohammed Zahed Mustafa; Bhattacharya, Pallab K.; Ng, Tien Khee; Ooi, Boon S.; Schwingenschlö gl, Udo

    2011-01-01

    We report a theoretical model for InAs/InP quantum-dash (Qdash) lasers incorporating a coupled set of rate equations taking into account the inhomogeneous broadening due to Qdash size fluctuation, the homogeneous broadening due to optical gain of a single Qdash, and the longitudinal cavity modes. The role of cavity length on the Qdash lasing characteristics, particularly the redshift in the peak lasing wavelength, is analyzed and compared with the experimental results by attributing it to the active region inhomogeneity.

  8. Anharmonicities in vibrational spectra of deformed nuclei discussed in a simple model. Pt. 2

    International Nuclear Information System (INIS)

    Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

    1982-01-01

    The Lipkin-Nogami method is applied to the multiphonon treatment of a model for which the exact solution is available. The better treatment of the number fluctuation improves drastically the ground-state energy, and to a less extent the energy spectrun. The domain of validity of the multiphonon method is enlarged with the help of the Nogami treatment. However, other observables cannot be easily described. The Lipkin-Nogami method is also compared to exact projection on good particle number in some particular cases. (orig.)

  9. Modeling the lasing spectra of InAs/InP Quantum dash lasers

    KAUST Repository

    Khan, Mohammed Zahed Mustafa

    2011-03-09

    We report a theoretical model for InAs/InP quantum-dash (Qdash) lasers incorporating a coupled set of rate equations taking into account the inhomogeneous broadening due to Qdash size fluctuation, the homogeneous broadening due to optical gain of a single Qdash, and the longitudinal cavity modes. The role of cavity length on the Qdash lasing characteristics, particularly the redshift in the peak lasing wavelength, is analyzed and compared with the experimental results by attributing it to the active region inhomogeneity.

  10. Modeling transient luminous events produced by cloud to ground lightning and narrow bipolar pulses: detailed spectra and chemical impact

    Science.gov (United States)

    Perez-Invernon, F. J.; Luque, A.; Gordillo-Vazquez, F. J.

    2017-12-01

    The electromagnetic field generated by lightning discharges can produce Transient Luminous Events (TLEs) in the lower ionosphere, as previously investigated by many authors. Some recent studies suggest that narrow bipolar pulses (NBP), an impulsive and not well-established type of atmospheric electrical discharge, could also produce TLEs. The characterization and observation of such TLEs could be a source of information about the physics underlying NBP. In this work, we develop two different electrodynamical models to study the impact of lightning-driven electromagnetic fields in the lower ionosphere. The first model calculates the quasi-electrostatic field produced by a single cloud to ground lightning in the terrestrial atmosphere and its influence in the electron transport. This scheme allows us to study halos, a relatively frequent type of TLE. The second model solves the Maxwell equations for the electromagnetic field produced by a lightning discharge coupled with the Langevin's equation for the induced currents in the ionosphere. This model is useful to investigate elves, a fast TLE produced by lightning or by NBP. In addition, both models are coupled with a detailed chemistry of the electronically and vibrationally excited states of molecular nitrogen, allowing us to calculate synthetic spectra of both halos and elves. The models also include a detailed set of kinetic reactions to calculate the temporal evolution of other species. Our results suggest an important enhancement of some molecular species produced by halos, as NOx , N2 O and other metastable species. The quantification of their production could be useful to understand the role of thunderstorms in the climate of our planet. In the case of TLEs produced by NBP, our model confirms the appearance of double elves and allows us to compute their spectral characteristics.

  11. A SEMI-ANALYTICAL LINE TRANSFER MODEL TO INTERPRET THE SPECTRA OF GALAXY OUTFLOWS

    International Nuclear Information System (INIS)

    Scarlata, C.; Panagia, N.

    2015-01-01

    We present a semi-analytical line transfer model, (SALT), to study the absorption and re-emission line profiles from expanding galactic envelopes. The envelopes are described as a superposition of shells with density and velocity varying with the distance from the center. We adopt the Sobolev approximation to describe the interaction between the photons escaping from each shell and the remainder of the envelope. We include the effect of multiple scatterings within each shell, properly accounting for the atomic structure of the scattering ions. We also account for the effect of a finite circular aperture on actual observations. For equal geometries and density distributions, our models reproduce the main features of the profiles generated with more complicated transfer codes. Also, our SALT line profiles nicely reproduce the typical asymmetric resonant absorption line profiles observed in starforming/starburst galaxies whereas these absorption profiles cannot be reproduced with thin shells moving at a fixed outflow velocity. We show that scattered resonant emission fills in the resonant absorption profiles, with a strength that is different for each transition. Observationally, the effect of resonant filling depends on both the outflow geometry and the size of the outflow relative to the spectroscopic aperture. Neglecting these effects will lead to incorrect values of gas covering fraction and column density. When a fluorescent channel is available, the resonant profiles alone cannot be used to infer the presence of scattered re-emission. Conversely, the presence of emission lines of fluorescent transitions reveals that emission filling cannot be neglected

  12. Experimental diagnostics and modeling of inductive phenomena at low frequencies in impedance spectra of proton exchange membrane fuel cells

    Science.gov (United States)

    Pivac, Ivan; Šimić, Boris; Barbir, Frano

    2017-10-01

    Representation of fuel cell processes by equivalent circuit models, involving resistance and capacitance elements representing activation losses on both anode and cathode in series with resistance representing ohmic losses, cannot capture and explain the inductive loop that may show up at low frequencies in Nyquist diagram representation of the electrochemical impedance spectra. In an attempt to explain the cause of the low-frequency inductive loop and correlate it with the processes within the fuel cell electrodes, a novel equivalent circuit model of a Proton Exchange Membrane (PEM) fuel cell has been proposed and experimentally verified here in detail. The model takes into account both the anode and the cathode, and has an additional resonant loop on each side, comprising of a resistance, capacitance and inductance in parallel representing the processes within the catalyst layer. Using these additional circuit elements, more accurate and better fits to experimental impedance data in the wide frequency range at different current densities, cell temperatures, humidity of gases, air flow stoichiometries and backpressures were obtained.

  13. Multi-level modelling of the response of the ultraminiature proportional counter: gas gain phenomena and pulse height spectra

    International Nuclear Information System (INIS)

    Olko, P.; Moutarde, C.; Segur, P.

    1995-01-01

    The ultraminiature proportional counters, UMC, unique radiation detectors for monitoring high intensity therapy fields, designed by Kliauga and operated at Columbia University (USA), have yielded a number of pulse height distributions for photons, neutrons and ions at simulated diameters of 5-50 nm. Monte Carlo calculations of the gas gain in such a counter questioned the possibility of achieving proportionally at such low simulated diameters. The response of the UMC has now been modelled taking into account both fluctuations of energy deposited in the counter volume and its calculated gas gain. Energy deposition was calculated using the MOCA-14, MOCA-8 and TRION codes, whereby distributions of ionisations d(j) after irradiations with 137 Cs, 15 MeV neutrons and 7 MeV.amu -1 deuterons were obtained. Monte Carlo calculations of electron avalanches in UMC show that the size of the single-electron avalanche P(n) reaching the anode depends strongly on the location of the primary ionisation within the counter volume. Distributions of the size of electron avalanches for higher numbers of primary ionisations, P *j (n), were obtained by successive convolutions of P(n). Finally, the counter response was obtained by weighting P *j (n) over d(j) distributions. On comparing the measured and calculated spectra it was concluded that the previously proposed single-electron peak calibration method might not be valid for the UMC due to the excessive width and overlap of electron avalanche distributions. Better agreement between the measured and calculated spectra is found if broader electron avalanche distributions than those used in the present calculations, are assumed. (author)

  14. Development of Response Spectral Ground Motion Prediction Equations from Empirical Models for Fourier Spectra and Duration of Ground Motion

    Science.gov (United States)

    Bora, S. S.; Scherbaum, F.; Kuehn, N. M.; Stafford, P.; Edwards, B.

    2014-12-01

    In a probabilistic seismic hazard assessment (PSHA) framework, it still remains a challenge to adjust ground motion prediction equations (GMPEs) for application in different seismological environments. In this context, this study presents a complete framework for the development of a response spectral GMPE easily adjustable to different seismological conditions; and which does not suffer from the technical problems associated with the adjustment in response spectral domain. Essentially, the approach consists of an empirical FAS (Fourier Amplitude Spectrum) model and a duration model for ground motion which are combined within the random vibration theory (RVT) framework to obtain the full response spectral ordinates. Additionally, FAS corresponding to individual acceleration records are extrapolated beyond the frequency range defined by the data using the stochastic FAS model, obtained by inversion as described in Edwards & Faeh, (2013). To that end, an empirical model for a duration, which is tuned to optimize the fit between RVT based and observed response spectral ordinate, at each oscillator frequency is derived. Although, the main motive of the presented approach was to address the adjustability issues of response spectral GMPEs; comparison, of median predicted response spectra with the other regional models indicate that presented approach can also be used as a stand-alone model. Besides that, a significantly lower aleatory variability (σbrands it to a potentially viable alternative to the classical regression (on response spectral ordinates) based GMPEs for seismic hazard studies in the near future. The dataset used for the presented analysis is a subset of the recently compiled database RESORCE-2012 across Europe, Middle East and the Mediterranean region.

  15. Landau quantized dynamics and spectra for group-VI dichalcogenides, including a model quantum wire

    Science.gov (United States)

    Horing, Norman J. M.

    2017-06-01

    This work is concerned with the derivation of the Green's function for Landau-quantized carriers in the Group-VI dichalcogenides. In the spatially homogeneous case, the Green's function is separated into a Peierls phase factor and a translationally invariant part which is determined in a closed form integral representation involving only elementary functions. The latter is expanded in an eigenfunction series of Laguerre polynomials. These results for the retarded Green's function are presented in both position and momentum representations, and yet another closed form representation is derived in circular coordinates in terms of the Bessel wave function of the second kind (not to be confused with the Bessel function). The case of a quantum wire is also addressed, representing the quantum wire in terms of a model one-dimensional δ (x ) -potential profile. This retarded Green's function for propagation directly along the wire is determined exactly in terms of the corresponding Green's function for the system without the δ (x ) -potential, and the Landau quantized eigenenergy dispersion relation is examined. The thermodynamic Green's function for the dichalcogenide carriers in a normal magnetic field is formulated here in terms of its spectral weight, and its solution is presented in a momentum/integral representation involving only elementary functions, which is subsequently expanded in Laguerre eigenfunctions and presented in both momentum and position representations.

  16. Landau quantized dynamics and spectra for group-VI dichalcogenides, including a model quantum wire

    Directory of Open Access Journals (Sweden)

    Norman J. M. Horing

    2017-06-01

    Full Text Available This work is concerned with the derivation of the Green’s function for Landau-quantized carriers in the Group-VI dichalcogenides. In the spatially homogeneous case, the Green’s function is separated into a Peierls phase factor and a translationally invariant part which is determined in a closed form integral representation involving only elementary functions. The latter is expanded in an eigenfunction series of Laguerre polynomials. These results for the retarded Green’s function are presented in both position and momentum representations, and yet another closed form representation is derived in circular coordinates in terms of the Bessel wave function of the second kind (not to be confused with the Bessel function. The case of a quantum wire is also addressed, representing the quantum wire in terms of a model one-dimensional δ(x-potential profile. This retarded Green’s function for propagation directly along the wire is determined exactly in terms of the corresponding Green’s function for the system without the δ(x-potential, and the Landau quantized eigenenergy dispersion relation is examined. The thermodynamic Green’s function for the dichalcogenide carriers in a normal magnetic field is formulated here in terms of its spectral weight, and its solution is presented in a momentum/integral representation involving only elementary functions, which is subsequently expanded in Laguerre eigenfunctions and presented in both momentum and position representations.

  17. Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium: The Chandra Grating Spectra of XTE J1817-330

    Science.gov (United States)

    Gatuzz, E.; Garcia, J.; Menodza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-01-01

    We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra towards the X-ray low-mass binary XTE J1817-330. The 11-25 A broadband is described with a simple absorption model that takes into account the pileup effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 A) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the XSTAR code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain: a column density of N(sub H) = 1.38 +/- 0.01 x 10(exp 21) cm(exp -2); ionization parameter of log xi = .2.70 +/- 0.023; oxygen abundance of A(sub O) = 0.689(exp +0.015./-0.010); and ionization fractions of O I/O = 0.911, O II/O = 0.077, and O III/O = 0.012 that are in good agreement with previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval (1998), a rescaling with the revision by Asplund et al. (2009) yields A(sub O) = 0.952(exp +0.020/-0.013, a value close to solar that reinforces the new standard. We identify several atomic absorption lines.K-alpha , K-beta, and K-gamma in O I and O II; and K-alpha in O III, O VI, and O VII--last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated to ISM cold absorption.

  18. Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium:. [The Chandra Grating Spectra of XTE J1817-330

    Science.gov (United States)

    Gatuzz, E.; Garcia, J.; Mendoza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-01-01

    We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Angstrom broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Angstroms) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the xstar code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N(sub H) = 1.38 +/- 0.01 × 10(exp 21) cm(exp -2); an ionization parameter of log xi = -2.70 +/- 0.023; an oxygen abundance of A(sub O) = 0.689 (+0.015/-0.010); and ionization fractions of O(sub I)/O = 0.911, O(sub II)/O = 0.077, and O(sub III)/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse & Sauval, a rescaling with the revision by Asplund et al. yields A(sub O) = 0.952(+0.020/-0.013), a value close to solar that reinforces the new standard.We identify several atomic absorption lines-K(alpha), K(beta), and K(gamma) in O(sub I) and O(sub II) and K(alpha) in O(sub III), O(sub VI), and O(sub VII)-the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated with ISM cold absorption.

  19. PHOTOIONIZATION MODELING OF OXYGEN K ABSORPTION IN THE INTERSTELLAR MEDIUM: THE CHANDRA GRATING SPECTRA OF XTE J1817-330

    International Nuclear Information System (INIS)

    Gatuzz, E.; Mendoza, C.; García, J.; Lohfink, A.; Kallman, T. R.; Witthoeft, M.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-01-01

    We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Å broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Å) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the XSTAR code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N H = 1.38 ± 0.01 × 10 21 cm –2 ; an ionization parameter of log ξ = –2.70 ± 0.023; an oxygen abundance of A O = 0.689 +0.015 -0.010 ; and ionization fractions of O I/O = 0.911, O II/O = 0.077, and O III/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval, a rescaling with the revision by Asplund et al. yields A O =0.952 +0.020 -0.013 , a value close to solar that reinforces the new standard. We identify several atomic absorption lines—Kα, Kβ, and Kγ in O I and O II and Kα in O III, O VI, and O VII—the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n > 2 associated with ISM cold absorption.

  20. SU-E-T-272: Direct Verification of a Treatment Planning System Megavoltage Linac Beam Photon Spectra Models, and Analysis of the Effects On Patient Plans

    Energy Technology Data Exchange (ETDEWEB)

    Leheta, D; Shvydka, D; Parsai, E [University of Toledo Medical Center, Toledo, OH (United States)

    2015-06-15

    Purpose: For the photon dose calculation Philips Pinnacle Treatment Planning System (TPS) uses collapsed cone convolution algorithm, which relies on energy spectrum of the beam in computing the scatter component. The spectrum is modeled based on Linac’s standard commissioning data and typically is not independently verified. We explored a methodology of using transmission measurements in combination with regularization data processing to unfold Linac spectra. The measured spectra were compared to those modeled by the TPS, and the effect on patient plans was evaluated. Methods: Transmission measurements were conducted in narrow-beam geometry using a standard Farmer ionization chamber. Two attenuating materials and two build -up caps, having different atomic numbers, served to enhance discrimination between absorption of low and high-energy portions of the spectra, thus improving the accuracy of the results. The data was analyzed using a regularization technique implemented through spreadsheet-based calculations. Results: The unfolded spectra were found to deviate from the TPS beam models. The effect of such deviations on treatment planning was evaluated for patient plans through dose distribution calculations with either TPS modeled or measured energy spectra. The differences were reviewed through comparison of isodose distributions, and quantified based on maximum dose values for critical structures. While in most cases no drastic differences in the calculated doses were observed, plans with deviations of 4 to 8% in the maximum dose values for critical structures were discovered. The anatomical sites with large scatter contributions are the most vulnerable to inaccuracies in the modeled spectrum. Conclusion: An independent check of the TPS model spectrum is highly desirable and should be included as part of commissioning of a new Linac. The effect is particularly important for dose calculations in high heterogeneity regions. The developed approach makes

  1. A QUANTUM BAND MODEL OF THE ν3 FUNDAMENTAL OF METHANOL (CH3OH) AND ITS APPLICATION TO FLUORESCENCE SPECTRA OF COMETS

    International Nuclear Information System (INIS)

    Villanueva, G. L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

    2012-01-01

    Methanol (CH 3 OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the ν 3 fundamental band of methanol at 2844 cm –1 (3.52 μm) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K. We validated the model by comparing simulations of CH 3 OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the ν 3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths.

  2. A Quantum Band Model of the nu3 Fundamental of Methanol (CH3OH) and Its Application to Fluorcescence Spectra of Comets

    Science.gov (United States)

    Villanueva, Geronimo L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

    2012-01-01

    Methanol (CH3OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the 3 fundamental band of methanol at 2844 / cm (3.52 micron) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K.We validated the model by comparing simulations of CH3OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the nu3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths

  3. Spatio-temporal spectra in the logarithmic layer of wall turbulence: large-eddy simulations and simple models

    NARCIS (Netherlands)

    Wilczek, Michael; Stevens, Richard Johannes Antonius Maria; Meneveau, Charles

    2015-01-01

    Motivated by the need to characterize the spatio-temporal structure of turbulence in wall-bounded flows, we study wavenumber–frequency spectra of the streamwise velocity component based on large-eddy simulation (LES) data. The LES data are used to measure spectra as a function of the two

  4. Clinical system model for monitoring the physiological status of jaundice by extracting bilirubin components from skin diffuse reflectance spectra

    Science.gov (United States)

    Kumar, Alla S.; Clark, Joseph; Beyette, Fred R., Jr.

    2009-02-01

    Neonatal jaundice is a medical condition which occurs in newborns as a result of an imbalance between the production and elimination of bilirubin. The excess bilirubin in the blood stream diffuses into the surrounding tissue leading to a yellowing of the skin. As the bilirubin levels rise in the blood stream, there is a continuous exchange between the extra vascular bilirubin and bilirubin in the blood stream. Exposure to phototherapy alters the concentration of bilirubin in the vascular and extra vascular regions by causing bilirubin in the skin layers to be broken down. Thus, the relative concentration of extra vascular bilirubin is reduced leading to a diffusion of bilirubin out of the vascular region. Diffuse reflectance spectra from human skin contains physiological and structural information of the skin and nearby tissue. A diffuse reflectance spectrum must be captured before and after blanching in order to isolate the intravascular and extra vascular bilirubin. A new mathematical model is proposed with extra vascular bilirubin concentration taken into consideration along with other optical parameters in defining the diffuse reflectance spectrum from human skin. A nonlinear optimization algorithm has been adopted to extract the optical properties (including bilirubin concentration) from the skin reflectance spectrum. The new system model and nonlinear algorithm have been combined to enable extraction of Bilirubin concentrations within an average error of 10%.

  5. Model-independent implications of the e±, p-bar cosmic ray spectra on properties of Dark Matter

    International Nuclear Information System (INIS)

    Cirelli, M.; Kadastik, M.; Raidal, M.; Strumia, A.

    2009-01-01

    Taking into account spins, we classify all two-body non-relativistic Dark Matter annihilation channels to the allowed polarization states of Standard Model particles, computing the energy spectra of the stable final-state particles relevant for indirect DM detection. We study the DM masses, annihilation channels and cross sections that can reproduce the PAMELA indications of an e + excess consistently with the PAMELA p-bar data and the ATIC/PPB-BETS e + +e - data. From the PAMELA data alone, two solutions emerge: (i) either the DM particles that annihilate into W,Z,h must be heavier than about 10 TeV or (ii) the DM must annihilate only into leptons. Thus in both cases a DM particle compatible with the PAMELA excess seems to have quite unexpected properties. The solution (ii) implies a peak in the e + +e - energy spectrum, which, indeed, seems to appear in the ATIC/PPB-BETS data around 700 GeV. If upcoming data from ATIC-4 and GLAST confirm this feature, this would point to a O(1) TeV DM annihilating only into leptons. Otherwise the solution (i) would be favored. We comment on the implications of these results for DM models, direct DM detection and colliders as well as on the possibility of an astrophysical origin of the excess

  6. X-ray Emitting GHz-Peaked Spectrum Galaxies: Testing a Dynamical-Radiative Model with Broad-Band Spectra

    International Nuclear Information System (INIS)

    Ostorero, L.; Moderski, R.; Stawarz, L.; Diaferio, A.; Kowalska, I.; Cheung, C.C.; Kataoka, J.; Begelman, M.C.; Wagner, S.J.

    2010-01-01

    In a dynamical-radiative model we recently developed to describe the physics of compact, GHz-Peaked-Spectrum (GPS) sources, the relativistic jets propagate across the inner, kpc-sized region of the host galaxy, while the electron population of the expanding lobes evolves and emits synchrotron and inverse-Compton (IC) radiation. Interstellar-medium gas clouds engulfed by the expanding lobes, and photoionized by the active nucleus, are responsible for the radio spectral turnover through free-free absorption (FFA) of the synchrotron photons. The model provides a description of the evolution of the GPS spectral energy distribution (SED) with the source expansion, predicting significant and complex high-energy emission, from the X-ray to the γ-ray frequency domain. Here, we test this model with the broad-band SEDs of a sample of eleven X-ray emitting GPS galaxies with Compact-Symmetric-Object (CSO) morphology, and show that: (i) the shape of the radio continuum at frequencies lower than the spectral turnover is indeed well accounted for by the FFA mechanism; (ii) the observed X-ray spectra can be interpreted as non-thermal radiation produced via IC scattering of the local radiation fields off the lobe particles, providing a viable alternative to the thermal, accretion-disk dominated scenario. We also show that the relation between the hydrogen column densities derived from the X-ray (N H ) and radio (N HI ) data of the sources is suggestive of a positive correlation, which, if confirmed by future observations, would provide further support to our scenario of high-energy emitting lobes.

  7. Physical inversion of the full IASI spectra: Assessment of atmospheric parameters retrievals, consistency of spectroscopy and forward modelling

    International Nuclear Information System (INIS)

    Liuzzi, G.; Masiello, G.; Serio, C.; Venafra, S.; Camy-Peyret, C.

    2016-01-01

    Spectra observed by the Infrared Atmospheric Sounder Interferometer (IASI) have been used to assess both retrievals and the spectral quality and consistency of current forward models and spectroscopic databases for atmospheric gas line and continuum absorption. The analysis has been performed with thousands of observed spectra over sea surface in the Pacific Ocean close to the Mauna Loa (Hawaii) validation station. A simultaneous retrieval for surface temperature, atmospheric temperature, H_2O, HDO, O_3 profiles and gas average column abundance of CO_2, CO, CH_4, SO_2, N_2O, HNO_3, NH_3, OCS and CF_4 has been performed and compared to in situ observations. The retrieval system considers the full IASI spectrum (all 8461 spectral channels on the range 645–2760 cm"−"1). We have found that the average column amount of atmospheric greenhouse gases can be retrieved with a precision better than 1% in most cases. The analysis of spectral residuals shows that, after inversion, they are generally reduced to within the IASI radiometric noise. However, larger residuals still appear for many of the most abundant gases, namely H_2O, CH_4 and CO_2. The H_2O ν_2 spectral region is in general warmer (higher radiance) than observations. The CO_2ν_2 and N_2O/CO_2ν_3 spectral regions now show a consistent behavior for channels, which are probing the troposphere. Updates in CH_4 spectroscopy do not seem to improve the residuals. The effect of isotopic fractionation of HDO is evident in the 2500–2760 cm"−"1 region and in the atmospheric window around 1200 cm"−"1. - Highlights: • This is the first work that uses the full IASI spectrum. This aspect is new and unique. • Simultaneous retrieval of the average amount of CO_2, N_2O, CO, CH_4, SO_2, HNO_3, NH_3, OCS and CF_4, T, H_2O, HDO, O_3 profiles, and T_s. • Assessment of spectroscopy consistency over the full IASI spectrum (645 to 2760 cm"−"1). • Two-year record of IASI retrievals are available on request, compared

  8. Partial least squares modeling of combined infrared, 1H NMR and 13C NMR spectra to predict long residue properties of crude oils

    NARCIS (Netherlands)

    de Peinder, P.; Visser, T.; Petrauskas, D.D.; Salvatori, F.; Soulimani, F.; Weckhuysen, B.M.

    2009-01-01

    Research has been carried out to determine the potential of partial least squares (PLS) modeling of mid-infrared (IR) spectra of crude oils combined with the corresponding 1H and 13C nuclear magnetic resonance (NMR) data, to predict the long residue (LR) properties of these substances. The study

  9. Patterns of change in the size spectra of numbers and diversity of the North Sea fish assemblage, as reflected in surveys and models

    DEFF Research Database (Denmark)

    Rice, J.; Gislason, Henrik

    1996-01-01

    data. The shape showed no overall trend, but diversity of smaller size classes showed a different temporal pattern from the diversity of intermediate and large size classes. The patterns in modelled output are consistent with, but do not prove, the hypothesis that trophic interactions are an important...... were very similar. Annual abundance spectra were linear and slopes increased significantly and fairly smoothly over the 20 years? indicating significant effects of fishing on the size composition of the exploited fish assemblage. The annual diversity spectra were more dome-shaped than in the survey...... factor in the fish community structure in the North Sea. (C) 1996 International Council for the Exploration of the Sea....

  10. Structure of the two-dimensional relaxation spectra seen within the eigenmode perturbation theory and the two-site exchange model.

    Science.gov (United States)

    Bytchenkoff, Dimitri; Rodts, Stéphane

    2011-01-01

    The form of the two-dimensional (2D) NMR-relaxation spectra--which allow to study interstitial fluid dynamics in diffusive systems by correlating spin-lattice (T(1)) and spin-spin (T(2)) relaxation times--has given rise to numerous conjectures. Herein we find analytically a number of fundamental structural properties of the spectra: within the eigen-modes formalism, we establish relationships between the signs and intensities of the diagonal and cross-peaks in spectra obtained by various 1 and 2D NMR-relaxation techniques, reveal symmetries of the spectra and uncover interdependence between them. We investigate more specifically a practically important case of porous system that has sets of T(1)- and T(2)-eigenmodes and eigentimes similar to each other by applying the perturbation theory. Furthermore we provide a comparative analysis of the application of the, mathematically more rigorous, eigen-modes formalism and the, rather more phenomenological, first-order two-site exchange model to diffusive systems. Finally we put the results that we could formulate analytically to the test by comparing them with computer-simulations for 2D porous model systems. The structural properties, in general, are to provide useful clues for assignment and analysis of relaxation spectra. The most striking of them--the presence of negative peaks--underlines an urgent need for improvement of the current 2D Inverse Laplace Transform (ILT) algorithm used for calculation of relaxation spectra from NMR raw data. Copyright © 2010 Elsevier Inc. All rights reserved.

  11. A parametric model to describe neutron spectra around high-energy electron accelerators and its application in neutron spectrometry with Bonner Spheres

    Science.gov (United States)

    Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo

    2010-03-01

    Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.

  12. A parametric model to describe neutron spectra around high-energy electron accelerators and its application in neutron spectrometry with Bonner Spheres

    International Nuclear Information System (INIS)

    Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo

    2010-01-01

    Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.

  13. Modelling of SH- and P-SV-wave fields and seismic microzonation based on response spectra for Talchir basin, India

    International Nuclear Information System (INIS)

    Mohanty, W.K.; Yanger Walling, M.; Vaccari, F.; Tripathy, T.; Panza, G.F.

    2008-02-01

    The P-SV- and SH-wave field in the Talchir basin is simulated along eight profiles: four profiles strike across the basin and the other four are along the basin. The hybrid method, which combines two computational techniques, modal Summation and finite differences, is used to produce multiphase synthetic seismograms. An M = 6 earthquake is considered, with hypocenter along the North Orissa Boundary Fault (NOBF) at a depth of 5 km and with the focal mechanisms parameters: dip = 90 deg., strike = 160 deg. and rake = 180 deg. The peak acceleration (AMAX) along each profile is determined considering the maximum acceleration obtained at the horizontal components. The response spectra ratio (RSR) as a function of frequency is computed for the eight profiles and the higher amplification is seen to increase in correspondence with the thicker sedimentary cover, especially for the radial component. Higher site amplification for all the profiles is observed in the frequency range from 0.5 to 1.4 Hz. To validate the obtained site-effects, the sources, for the profiles across the basin, are placed near to the southern end of the profile and the site amplifications are recomputed. Even if the spatial distribution of AMAX is mainly controlled by the epicentral distance, i.e. the geometrical spreading prevails on local soil effects, the RSR shows a pattern that can be easily correlated with the local site conditions. The RSR at the intersection of the profiles is dependent not only upon the local lithology and sediment thickness but also upon the epicentral distance. The Talchir basin is classified into three zones based on the RSR values: low RSR zone (1.0 - 1.9), intermediate RSR zone (2.0 - 2.8) and high RSR zone (2.9 - 5.2). The PGA estimated for the bedrock model by Bhatia et al. (1999) for the study region is around 0.05 to 0.10 g while the Indian seismic zonation map estimated it to be in the range from 0.1 to 0.2g. In the present study, that considers the effects of

  14. Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase

    Science.gov (United States)

    Xu, Wenwen; Wu, Fengqi; Zhao, Yanying; Zhou, Ran; Wang, Huigang; Zheng, Xuming; Ni, Bukuo

    2017-03-01

    The isotropic and anisotropic Raman spectra of acetone and deuterated acetone isolated in an argon matrix have been recorded for the understanding of noncoincidence effect (NCE) phenomenon. According to the matrix isolated Raman spectra and DFT calculations, we proposed aggregated model for the explanations of the acetone C=O vibration NCE phenomenon and its concentration effect. The experimental data were in consistence with the DFT calculations performed at the B3LYP-D3/6-311 G (d,p) levels based on the proposed model. The experimental identification of the monomer, dimer and trimer are reported here, and the dynamic of the transformation from monomer to aggregated structure can be easily controlled by tuning annealing temperature.

  15. TheoSSA - Model WD Spectra on Demand: The Impact of Ne, Na, Mg, and Iron-group Elements on the Balmer Lines

    Science.gov (United States)

    Reindl, N.; Rauch, T.

    2015-06-01

    The registered German Astrophysical Virtual Observatory (GAVO) service TheoSSA provides easy access to synthetic stellar spectra. This GAVO database contains already ten thousands of these, which were calculated with different chemical compositions of the elements H to Ni. In addition to the database, it is possible to calculate individual spectra for hot, compact stars based on the Tübingen NLTE Model-Atmosphere Package (TMAP) via the TMAW service. The TMAW models were, in the pilot phase, restricted to the elements H, He, C, N, and O. Now, TMAW is extended to additionally consider opacities from Ne, Na, and Mg. Soon, TMAW will also be able to include the opacities from the so-called iron-group elements (Ca - Ni). We describe the improvements and show the impact of Ne, Na, Mg, and iron-group elements on the Balmer lines.

  16. Fast Biological Modeling for Voxel-based Heavy Ion Treatment Planning Using the Mechanistic Repair-Misrepair-Fixation Model and Nuclear Fragment Spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kamp, Florian [Department of Therapeutic Radiology, Yale University School of Medicine, New Haven, Connecticut (United States); Department of Radiation Oncology, Technische Universität München, Klinikum Rechts der Isar, München (Germany); Physik-Department, Technische Universität München, Garching (Germany); Cabal, Gonzalo [Experimental Physics–Medical Physics, Ludwig Maximilians University Munich, Garching (Germany); Mairani, Andrea [Medical Physics Unit, Centro Nazionale Adroterapia Oncologica (CNAO), Pavia (Italy); Heidelberg Ion-Beam Therapy Center, Heidelberg (Germany); Parodi, Katia [Experimental Physics–Medical Physics, Ludwig Maximilians University Munich, Garching (Germany); Wilkens, Jan J. [Department of Radiation Oncology, Technische Universität München, Klinikum Rechts der Isar, München (Germany); Physik-Department, Technische Universität München, Garching (Germany); Carlson, David J., E-mail: david.j.carlson@yale.edu [Department of Therapeutic Radiology, Yale University School of Medicine, New Haven, Connecticut (United States)

    2015-11-01

    Purpose: The physical and biological differences between heavy ions and photons have not been fully exploited and could improve treatment outcomes. In carbon ion therapy, treatment planning must account for physical properties, such as the absorbed dose and nuclear fragmentation, and for differences in the relative biological effectiveness (RBE) of ions compared with photons. We combined the mechanistic repair-misrepair-fixation (RMF) model with Monte Carlo-generated fragmentation spectra for biological optimization of carbon ion treatment plans. Methods and Materials: Relative changes in double-strand break yields and radiosensitivity parameters with particle type and energy were determined using the independently benchmarked Monte Carlo damage simulation and the RMF model to estimate the RBE values for primary carbon ions and secondary fragments. Depth-dependent energy spectra were generated with the Monte Carlo code FLUKA for clinically relevant initial carbon ion energies. The predicted trends in RBE were compared with the published experimental data. Biological optimization for carbon ions was implemented in a 3-dimensional research treatment planning tool. Results: We compared the RBE and RBE-weighted dose (RWD) distributions of different carbon ion treatment scenarios with and without nuclear fragments. The inclusion of fragments in the simulations led to smaller RBE predictions. A validation of RMF against measured cell survival data reported in published studies showed reasonable agreement. We calculated and optimized the RWD distributions on patient data and compared the RMF predictions with those from other biological models. The RBE values in an astrocytoma tumor ranged from 2.2 to 4.9 (mean 2.8) for a RWD of 3 Gy(RBE) assuming (α/β){sub X} = 2 Gy. Conclusions: These studies provide new information to quantify and assess uncertainties in the clinically relevant RBE values for carbon ion therapy based on biophysical mechanisms. We present results from

  17. OPEM3-program for calculating pion differential spectra in pp → npπ+ reaction at energies up to 1 GeV. Physical model

    International Nuclear Information System (INIS)

    Suslenko, V.K.; Gajsak, I.I.

    1982-01-01

    Theoretical basis for the program to calcUlate the denSjties of differential criss sections of the third order (spectra) for pions produced in the reaction pp → npπ + at enerajes up to 1 GeV is presented. A variant of one pion exchange model (OPEM), im which precise account of all contributions from four polar Feynman diagrams is made is selected as a a physical model of the reaction pp → npπ + . The model apparatus is presented in correspondence with the scheme of the structure of OPEM 3 program for computer realized in Fortran language

  18. Theoretical modeling of Comptonized X-ray spectra of super-Eddington accretion flow: Origin of hard excess in ultraluminous X-ray sources

    Science.gov (United States)

    Kitaki, Takaaki; Mineshige, Shin; Ohsuga, Ken; Kawashima, Tomohisa

    2017-12-01

    X-ray continuum spectra of super-Eddington accretion flow are studied by means of Monte Carlo radiative transfer simulations based on the radiation hydrodynamic simulation data, in which both thermal- and bulk-Compton scatterings are taken into account. We compare the calculated spectra of accretion flow around black holes with masses of MBH = 10, 102, 103, and 104 M⊙ for a fixed mass injection rate (from the computational boundary at 103 rs) of 103 LEdd/c2 (with rs, LEdd, and c being the Schwarzschild radius, the Eddington luminosity, and the speed of light, respectively). The soft X-ray spectra exhibit mass dependence in accordance with the standard-disk relation; the maximum surface temperature is scaled as T ∝ M_{ BH}^{ -1/4}. The spectra in the hard X-ray band, by contrast with soft X-ray, look to be quite similar among different models, if we normalize the radiation luminosity by MBH. This reflects that the hard component is created by thermal- and bulk-Compton scatterings of soft photons originating from an accretion flow in the overheated and/or funnel regions, the temperatures of which have no dependence on mass. The hard X-ray spectra can be reproduced by a Wien spectrum with the temperature of T ˜ 3 keV accompanied by a hard excess at photon energy above several keV. The excess spectrum can be fitted well with a power law with a photon index of Γ ˜ 3. This feature is in good agreement with that of the recent NuSTAR observations of ULXs (ultra-luminous X-ray sources).

  19. Prediction of EPR Spectra of Lyotropic Liquid Crystals using a Combination of Molecular Dynamics Simulations and the Model-Free Approach.

    Science.gov (United States)

    Prior, Christopher; Oganesyan, Vasily S

    2017-09-21

    We report the first application of fully atomistic molecular dynamics (MD) simulations to the prediction of the motional electron paramagnetic resonance (EPR) spectra of lyotropic liquid crystals in different aggregation states doped with a paramagnetic spin probe. The purpose of this study is twofold. First, given that EPR spectra are highly sensitive to the motions and order of the spin probes doped within lyotropic aggregates, simulation of EPR line shapes from the results of MD modelling provides an ultimate test bed for the force fields currently employed to model such systems. Second, the EPR line shapes are simulated using the motional parameters extracted from MD trajectories using the Model-Free (MF) approach. Thus a combined MD-EPR methodology allowed us to test directly the validity of the application of the MF approach to systems with multi-component molecular motions. All-atom MD simulations using the General AMBER Force Field (GAFF) have been performed on sodium dodecyl sulfate (SDS) and dodecyltrimethylammonium chloride (DTAC) liquid crystals. The resulting MD trajectories were used to predict and interpret the EPR spectra of pre-micellar, micellar, rod and lamellar aggregates. The predicted EPR spectra demonstrate good agreement with most of experimental line shapes thus confirming the validity of both the force fields employed and the MF approach for the studied systems. At the same time simulation results confirm that GAFF tends to overestimate the packing and the order of the carbonyl chains of the surfactant molecules. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Pattern recognition in spectra

    International Nuclear Information System (INIS)

    Gebran, M; Paletou, F

    2017-01-01

    We present a new automated procedure that simultaneously derives the effective temperature T eff , surface gravity log g , metallicity [ Fe/H ], and equatorial projected rotational velocity v e sin i for stars. The procedure is inspired by the well-known PCA-based inversion of spectropolarimetric full-Stokes solar data, which was used both for Zeeman and Hanle effects. The efficiency and accuracy of this procedure have been proven for FGK, A, and late type dwarf stars of K and M spectral types. Learning databases are generated from the Elodie stellar spectra library using observed spectra for which fundamental parameters were already evaluated or with synthetic data. The synthetic spectra are calculated using ATLAS9 model atmospheres. This technique helped us to detect many peculiar stars such as Am, Ap, HgMn, SiEuCr and binaries. This fast and efficient technique could be used every time a pattern recognition is needed. One important application is the understanding of the physical properties of planetary surfaces by comparing aboard instrument data to synthetic ones. (paper)

  1. Alternative collimator for CdTe (model XR-100T), when it is used for a direct measurements of radiodiagnostic spectra

    International Nuclear Information System (INIS)

    Soares, C.; Guevara, M.V. Manso; Milian, F. Mas; Garcia, F.

    2014-01-01

    The spectrum simulation is a powerful instrument of great practical and pedagogical usefulness, because it helps to understand the technical and the instrumental limits of parameters in optimized measurements of magnitudes of interest in physics. Monte Carlo models, based on particle and radiation transport, provide easy and flexible tools for simulating complex geometries and materials. Particularly, MCNPX code is used to compare, manipulate, and quantify simulated and measured spectra. The purpose of this work is to use this tool set to estimate the characteristics of a collimation device, avoiding permanent and temporary damages into the diode-pin detector, during direct measurements of the Bremsstrahlung's spectrum, which was generated from diagnosis tubes with medical purpose. The simulations were made with a maximum voltage of 150 kVp, and typical charges used in radiological protocols in the medical area. Also, differential high pulse spectra, simulated and measured with a CdTe Detector, are reported. (author)

  2. An attempt at predicting blood β-hydroxybutyrate from Fourier-transform mid-infrared spectra of milk using multivariate mixed models in Polish dairy cattle.

    Science.gov (United States)

    Belay, T K; Dagnachew, B S; Kowalski, Z M; Ådnøy, T

    2017-08-01

    Fourier transform mid-infrared (FT-MIR) spectra of milk are commonly used for phenotyping of traits of interest through links developed between the traits and milk FT-MIR spectra. Predicted traits are then used in genetic analysis for ultimate phenotypic prediction using a single-trait mixed model that account for cows' circumstances at a given test day. Here, this approach is referred to as indirect prediction (IP). Alternatively, FT-MIR spectral variable can be kept multivariate in the form of factor scores in REML and BLUP analyses. These BLUP predictions, including phenotype (predicted factor scores), were converted to single-trait through calibration outputs; this method is referred to as direct prediction (DP). The main aim of this study was to verify whether mixed modeling of milk spectra in the form of factors scores (DP) gives better prediction of blood β-hydroxybutyrate (BHB) than the univariate approach (IP). Models to predict blood BHB from milk spectra were also developed. Two data sets that contained milk FT-MIR spectra and other information on Polish dairy cattle were used in this study. Data set 1 (n = 826) also contained BHB measured in blood samples, whereas data set 2 (n = 158,028) did not contain measured blood values. Part of data set 1 was used to calibrate a prediction model (n = 496) and the remaining part of data set 1 (n = 330) was used to validate the calibration models, as well as to evaluate the DP and IP approaches. Dimensions of FT-MIR spectra in data set 2 were reduced either into 5 or 10 factor scores (DP) or into a single trait (IP) with calibration outputs. The REML estimates for these factor scores were found using WOMBAT. The BLUP values and predicted BHB for observations in the validation set were computed using the REML estimates. Blood BHB predicted from milk FT-MIR spectra by both approaches were regressed on reference blood BHB that had not been used in the model development. Coefficients of determination in cross

  3. Application of some Hartree-Fock model calculations to the analysis of atomic and free-ion optical spectra

    International Nuclear Information System (INIS)

    Hayhurst, T.L.

    1980-01-01

    Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multiconfiguration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e. wavefunctions with radical correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the KI sequence from K 0+ through Fe 7+ , fitting to experimental levels for V 4+ , and Cr 5+ ; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: Energy levels of the Uranium hexahalide complexes, (UX 6 ) 2- for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f 2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd

  4. Application of some Hartree-Fock model calculations to the analysis of atomic and free-ion optical spectra

    International Nuclear Information System (INIS)

    Hayhurst, T.L.

    1980-05-01

    Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multi-configuration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e., wavefunctions with radial correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the K I sequence from K 0+ through Fe 7+ , fitting to experimental levels for V 4+ , and Cr 5+ ; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: energy levels of the uranium hexahalide complexes, (UX 6 ) 2- for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f 2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd

  5. The STAGGER-grid: A grid of 3D stellar atmosphere models. V. Synthetic stellar spectra and broad-band photometry

    Science.gov (United States)

    Chiavassa, A.; Casagrande, L.; Collet, R.; Magic, Z.; Bigot, L.; Thévenin, F.; Asplund, M.

    2018-03-01

    Context. The surface structures and dynamics of cool stars are characterised by the presence of convective motions and turbulent flows which shape the emergent spectrum. Aims: We used realistic three-dimensional (3D) radiative hydrodynamical simulations from the STAGGER-grid to calculate synthetic spectra with the radiative transfer code OPTIM3D for stars with different stellar parameters to predict photometric colours and convective velocity shifts. Methods: We calculated spectra from 1000 to 200 000 Å with a constant resolving power of λ/Δλ = 20 000 and from 8470 and 8710 Å (Gaia Radial Velocity Spectrometer - RVS - spectral range) with a constant resolving power of λ/Δλ = 300 000. Results: We used synthetic spectra to compute theoretical colours in the Johnson-Cousins UBV (RI)C, SDSS, 2MASS, Gaia, SkyMapper, Strömgren systems, and HST-WFC3. Our synthetic magnitudes are compared with those obtained using 1D hydrostatic models. We showed that 1D versus 3D differences are limited to a small percent except for the narrow filters that span the optical and UV region of the spectrum. In addition, we derived the effect of the convective velocity fields on selected Fe I lines. We found the overall convective shift for 3D simulations with respect to the reference 1D hydrostatic models, revealing line shifts of between -0.235 and +0.361 km s-1. We showed a net correlation of the convective shifts with the effective temperature: lower effective temperatures denote redshifts and higher effective temperatures denote blueshifts. We conclude that the extraction of accurate radial velocities from RVS spectra need an appropriate wavelength correction from convection shifts. Conclusions: The use of realistic 3D hydrodynamical stellar atmosphere simulations has a small but significant impact on the predicted photometry compared with classical 1D hydrostatic models for late-type stars. We make all the spectra publicly available for the community through the POLLUX database

  6. Beta spectra. II-Positron spectra

    International Nuclear Information System (INIS)

    Grau, A.; Garcia-Torano, E.

    1981-01-01

    Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

  7. The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

    Energy Technology Data Exchange (ETDEWEB)

    Marchewka, M., E-mail: marmi@ur.edu.pl; Woźny, M.; Polit, J.; Sheregii, E. M. [Faculty of Mathematics and Natural Sciences, Centre for Microelectronics and Nanotechnology, University of Rzeszów, Pigonia 1, 35-959 Rzeszów (Poland); Kisiel, A. [Institute of Physics, Jagiellonian University, Reymonta 4, Kraków 30-059 (Poland); Robouch, B. V.; Marcelli, A. [INFN-Laboratori Nazionali di Frascati, Via E. Fermi 40, I-00044 Frascati (Italy)

    2014-03-21

    To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III–V and II–VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra.

  8. The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

    International Nuclear Information System (INIS)

    Marchewka, M.; Woźny, M.; Polit, J.; Sheregii, E. M.; Kisiel, A.; Robouch, B. V.; Marcelli, A.

    2014-01-01

    To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III–V and II–VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra

  9. The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

    Science.gov (United States)

    Marchewka, M.; Woźny, M.; Polit, J.; Kisiel, A.; Robouch, B. V.; Marcelli, A.; Sheregii, E. M.

    2014-03-01

    To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III-V and II-VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra.

  10. Preventive efficacy of NexGard Spectra® against Dipylidium caninum infection in dogs using a natural flea (Ctenocephalides felis infestation model

    Directory of Open Access Journals (Sweden)

    Beugnet Frédéric

    2017-01-01

    Full Text Available The efficacy of a monthly oral endectocide product, NexGard Spectra® (Merial, a combination of afoxolaner and milbemycin oxime, was evaluated in a flea (Ctenocephalides felis challenge model for the prevention of Dipylidium caninum tapeworm infection in dogs. The efficacy of treatment with NexGard Spectra® was assessed in 10 dogs following weekly flea infestation with metacestode naturally infected fleas and compared with that in 10 untreated control dogs. The 100 fleas deposited weekly on each dog were not removed until Day 35, allowing enough time for their ingestion. The microscopical analysis of 30 fleas from the flea batches before each weekly challenge demonstrated that 10–33% of the fleas were infected by D. caninum cysticercoid larvae. The arithmetic mean flea count recorded was 47.7 for the 10 untreated dogs and 0 for the 10 treated dogs at Day 35. Based on the daily collection of expelled D. caninum proglottids by dogs during the 70 days of the study, 70% (7/10 of the control dogs and 0% (0/10 of the treated dogs were infected with D. caninum (p < 0.0031. Through its efficacy against fleas, NexGard Spectra® treatment provided indirect prevention of D. caninum infestation. No treatment-related adverse events were observed in dogs during this study.

  11. Lithium in the active sub-giant HD123351. A quantitative analysis with 3D and 1D model atmospheres using different observed spectra

    Science.gov (United States)

    Mott, A.; Steffen, M.; Caffau, E.; Strassmeier, K. G.

    Current 3D hydrodynamical model atmosphere simulations together with non-LTE spectrum synthesis calculations permit to determine reliable atomic and in particular isotopic chemical abundances. Although this approach is computationally time demanding, it became feasible in studying lithium in stellar spectra. In the literature not much is known about the presence of the more fragile {6Li} isotope in evolved metal-rich objects. In this case the analysis is complicated by the lack of a suitable list of atomic and molecular lines in the spectral region of the lithium resonance line at 670.8 nm. Here we present a spectroscopic comparative analysis of the Li doublet region of HD 123351, an active sub-giant star of solar metallicity. We fit the Li profile in three observed spectra characterized by different qualities: two very-high resolution spectra (Gecko@CFHT, R=120 000, SNR=400 and PEPSI@LBT, R=150 000, SNR=663) and a high-resolution SOPHIE@OHP spectrum (R=40 000, SNR=300). We adopt a set of model atmospheres, both 3D and 1D, having different stellar parameters (T_{eff} and log g). The 3D models are taken from the CIFIST grid of COBOLD model atmospheres and departures from LTE are considered for the lithium components. For the blends other than the lithium in this wavelength region we adopt the linelist of \\citet{melendez12}. We find consistent results for all three observations and an overall good fit with the selected list of atomic and molecular lines, indicating a high {6Li} content. The presence of {6Li} is not expected in cool stellar atmospheres. Its detection is of crucial importance for understanding mixing processes in stars and external lithium production mechanisms, possibly related to stellar activity or planetray accretion of {6Li}-rich material.

  12. Measurement of cold neutron spectra at a model of cryogenic moderator of the IBR-2M reactor

    International Nuclear Information System (INIS)

    Kulikov, S.A.; Chernikov, A.N.; Shabalin, E.P.; Kalinin, I.V.; Morozov, V.M.; Novikov, A.G.; Puchkov, A.V.

    2010-01-01

    The article is dedicated to methods and results of experimental determination of cold neutron spectra from solid mesitylene at neutron moderator temperatures 10-50 K. Experiments were fulfilled at the DIN-2PI spectrometer of the IBR-2 reactor. The main goals of this work were to examine a system of constants for Monte Carlo calculation of cryogenic moderators of the IBR-2M reactor and to determine the temperature dependence of cold neutron intensity from the moderator. A reasonable agreement of experimental and calculation results for mesitylene at 20 K has been obtained. The cold neutron intensity at temperature of moderator 10 K is about 1.8 times higher than at T=50 K

  13. X-ray scattering in X-ray fluorescence spectra with X-ray tube excitation - Modelling, experiment, and Monte-Carlo simulation

    International Nuclear Information System (INIS)

    Hodoroaba, V.-D.; Radtke, M.; Vincze, L.; Rackwitz, V.; Reuter, D.

    2010-01-01

    X-ray scattering may contribute significantly to the spectral background of X-ray fluorescence (XRF) spectra. Based on metrological measurements carried out with a scanning electron microscope (SEM) having attached a well characterised X-ray source (polychromatic X-ray tube) and a calibrated energy dispersive X-ray spectrometer (EDS) the accuracy of a physical model for X-ray scattering is systematically evaluated for representative samples. The knowledge of the X-ray spectrometer efficiency, but also of the spectrometer response functions makes it possible to define a physical spectral background of XRF spectra. Background subtraction relying on purely mathematical procedures is state-of-the-art. The results produced by the analytical model are at least as reliable as those obtained by Monte-Carlo simulations, even without considering the very challenging contribution of multiple scattering. Special attention has been paid to Compton broadening. Relevant applications of the implementation of the analytical model presented in this paper are the prediction of the limits of detection for particular cases or the determination of the transmission of X-ray polycapillary lenses.

  14. On the use of spectra from portable Raman and ATR-IR instruments in synthesis route attribution of a chemical warfare agent by multivariate modeling.

    Science.gov (United States)

    Wiktelius, Daniel; Ahlinder, Linnea; Larsson, Andreas; Höjer Holmgren, Karin; Norlin, Rikard; Andersson, Per Ola

    2018-08-15

    Collecting data under field conditions for forensic investigations of chemical warfare agents calls for the use of portable instruments. In this study, a set of aged, crude preparations of sulfur mustard were characterized spectroscopically without any sample preparation using handheld Raman and portable IR instruments. The spectral data was used to construct Random Forest multivariate models for the attribution of test set samples to the synthetic method used for their production. Colored and fluorescent samples were included in the study, which made Raman spectroscopy challenging although fluorescence was diminished by using an excitation wavelength of 1064 nm. The predictive power of models constructed with IR or Raman data alone, as well as with combined data was investigated. Both techniques gave useful data for attribution. Model performance was enhanced when Raman and IR spectra were combined, allowing correct classification of 19/23 (83%) of test set spectra. The results demonstrate that data obtained with spectroscopy instruments amenable for field deployment can be useful in forensic studies of chemical warfare agents. Copyright © 2018 Elsevier B.V. All rights reserved.

  15. Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra.

    Science.gov (United States)

    Lee, Christopher M; Kubicki, James D; Fan, Bingxin; Zhong, Linghao; Jarvis, Michael C; Kim, Seong H

    2015-12-10

    Hydrogen bonds play critical roles in noncovalent directional interactions determining the crystal structure of cellulose. Although diffraction studies accurately determined the coordinates of carbon and oxygen atoms in crystalline cellulose, the structural information on hydrogen atoms involved in hydrogen-bonding is still elusive. This could be complemented by vibrational spectroscopy; but the assignment of the OH stretch peaks has been controversial. In this study, we performed calculations using density functional theory with dispersion corrections (DFT-D2) for the cellulose Iβ crystal lattices with the experimentally determined carbon and oxygen coordinates. DFT-D2 calculations revealed that the OH stretch vibrations of cellulose are highly coupled and delocalized through intra- and interchain hydrogen bonds involving all OH groups in the crystal. Additionally, molecular dynamics (MD) simulations of a single cellulose microfibril showed that the conformations of OH groups exposed at the microfibril surface are not well-defined. Comparison of the computation results with the experimentally determined IR dichroism of uniaxially aligned cellulose microfibrils and the peak positions of various cellulose crystals allowed unambiguous identification of OH stretch modes observed in the vibrational spectra of cellulose.

  16. Effect of anthocyanins, carotenoids, and flavonols on chlorophyll fluorescence excitation spectra in apple fruit: signature analysis, assessment, modelling, and relevance to photoprotection.

    Science.gov (United States)

    Merzlyak, Mark N; Melø, Thor Bernt; Naqvi, K Razi

    2008-01-01

    Whole apple fruit (Malus domestica Borkh.) widely differing in pigment content and composition has been examined by recording its chlorophyll fluorescence excitation and diffuse reflection spectra in the visible and near UV regions. Spectral bands sensitive to the pigment concentration have been identified, and linear models for non-destructive assessment of anthocyanins, carotenoids, and flavonols via chlorophyll fluorescence measurements are put forward. The adaptation of apple fruit to high light stress involves accumulation of these protective pigments, which absorb solar radiation in broad spectral ranges extending from UV to the green and, in anthocyanin-containing cultivars, to the red regions of the spectrum. In ripening apples the protective effect in the blue region could be attributed to extrathylakoid carotenoids. A simple model, which allows the simulation of chlorophyll fluorescence excitation spectra in the visible range and a quantitative evaluation of competitive absorption by anthocyanins, carotenoids, and flavonols, is described. Evidence is presented to support the view that anthocyanins, carotenoids, and flavonols play, in fruit with low-to-moderate pigment content, the role of internal traps (insofar as they compete with chlorophylls for the absorption of incident light in specific spectral bands), affecting thereby the shape of the chlorophyll fluorescence excitation spectrum.

  17. Adsorbate reactivity and thermal mobility from simple modeling of high-resolution core-level spectra: application to O/Al(111)

    International Nuclear Information System (INIS)

    Schouborg, Jakob; Raarup, Merete K; Balling, Peter

    2009-01-01

    A high-resolution core-level spectroscopy investigation of the adsorption of oxygen on Al(111) at variable oxygen exposure demonstrates a low surface reactivity for an intensively cleaned surface. The threshold for oxide formation is as high as ∼200 L (langmuirs), at which point the coverage of the chemisorbed oxygen exceeds half a monolayer. A simple model is presented, using which it is possible to deduce the oxygen coverage from the core-level spectra and determine the initial sticking probability. For our data a value of 0.018 ± 0.004 is obtained. The changes in core-level spectra following low-temperature annealing of low-coverage O/Al(111) reflect the formation of gradually larger islands of oxygen atoms (Ostwald ripening). The island formation is consistent with a random-walk model from which the diffusion barrier can be deduced to be in the range of 0.80-0.90 eV.

  18. Application of semi-empirical modeling and non-linear regression to unfolding fast neutron spectra from integral reaction rate data

    International Nuclear Information System (INIS)

    Harker, Y.D.

    1976-01-01

    A semi-empirical analytical expression representing a fast reactor neutron spectrum has been developed. This expression was used in a non-linear regression computer routine to obtain from measured multiple foil integral reaction data the neutron spectrum inside the Coupled Fast Reactivity Measurement Facility. In this application six parameters in the analytical expression for neutron spectrum were adjusted in the non-linear fitting process to maximize consistency between calculated and measured integral reaction rates for a set of 15 dosimetry detector foils. In two-thirds of the observations the calculated integral agreed with its respective measured value to within the experimental standard deviation, and in all but one case agreement within two standard deviations was obtained. Based on this quality of fit the estimated 70 to 75 percent confidence intervals for the derived spectrum are 10 to 20 percent for the energy range 100 eV to 1 MeV, 10 to 50 percent for 1 MeV to 10 MeV and 50 to 90 percent for 10 MeV to 18 MeV. The analytical model has demonstrated a flexibility to describe salient features of neutron spectra of the fast reactor type. The use of regression analysis with this model has produced a stable method to derive neutron spectra from a limited amount of integral data

  19. Simultaneous determination of some antiprotozoal drugs in different combined dosage forms by mean centering of ratio spectra and multivariate calibration with model updating methods

    Directory of Open Access Journals (Sweden)

    Abdelaleem Eglal A

    2012-04-01

    Full Text Available Abstract Background Metronidazole (MET and Diloxanide Furoate (DF, act as antiprotozoal drugs, in their ternary mixtures with Mebeverine HCl (MEH, an effective antispasmodic drug. This work concerns with the development and validation of two simple, specific and cost effective methods mainly for simultaneous determination of the proposed ternary mixture. In addition, the developed multivariate calibration model has been updated to determine Metronidazole benzoate (METB in its binary mixture with DF in Dimetrol® suspension. Results Method (I is the mean centering of ratio spectra spectrophotometric method (MCR that depends on using the mean centered ratio spectra in two successive steps that eliminates the derivative steps and therefore the signal to noise ratio is enhanced. The developed MCR method has been successfully applied for determination of MET, DF and MEH in different laboratory prepared mixtures and in tablets. Method (II is the partial least square (PLS multivariate calibration method that has been optimized for determination of MET, DF and MEH in Dimetrol ® tablets and by updating the developed model, it has been successfully used for prediction of binary mixtures of DF and Metronidazole Benzoate ester (METB in Dimetrol ® suspension with good accuracy and precision without reconstruction of the calibration set. Conclusion The developed methods have been validated; accuracy, precision and specificity were found to be within the acceptable limits. Moreover results obtained by the suggested methods showed no significant difference when compared with those obtained by reported methods. Graphical Abstract

  20. Inverse modelling of Köhler theory – Part 1: A response surface analysis of CCN spectra with respect to surface-active organic species

    Directory of Open Access Journals (Sweden)

    S. Lowe

    2016-09-01

    Full Text Available In this study a novel framework for inverse modelling of cloud condensation nuclei (CCN spectra is developed using Köhler theory. The framework is established by using model-generated synthetic measurements as calibration data for a parametric sensitivity analysis. Assessment of the relative importance of aerosol physicochemical parameters, while accounting for bulk–surface partitioning of surface-active organic species, is carried out over a range of atmospherically relevant supersaturations. By introducing an objective function that provides a scalar metric for diagnosing the deviation of modelled CCN concentrations from synthetic observations, objective function response surfaces are presented as a function of model input parameters. Crucially, for the chosen calibration data, aerosol–CCN spectrum closure is confirmed as a well-posed inverse modelling exercise for a subset of the parameters explored herein. The response surface analysis indicates that the appointment of appropriate calibration data is particularly important. To perform an inverse aerosol–CCN closure analysis and constrain parametric uncertainties, it is shown that a high-resolution CCN spectrum definition of the calibration data is required where single-valued definitions may be expected to fail. Using Köhler theory to model CCN concentrations requires knowledge of many physicochemical parameters, some of which are difficult to measure in situ on the scale of interest and introduce a considerable amount of parametric uncertainty to model predictions. For all partitioning schemes and environments modelled, model output showed significant sensitivity to perturbations in aerosol log-normal parameters describing the accumulation mode, surface tension, organic : inorganic mass ratio, insoluble fraction, and solution ideality. Many response surfaces pertaining to these parameters contain well-defined minima and are therefore good candidates for calibration using a Monte

  1. Line-Shape Code Comparison through Modeling and Fitting of Experimental Spectra of the C ii 723-nm Line Emitted by the Ablation Cloud of a Carbon Pellet

    Directory of Open Access Journals (Sweden)

    Mohammed Koubiti

    2014-07-01

    Full Text Available Various codes of line-shape modeling are compared to each other through the profile of the C ii 723-nm line for typical plasma conditions encountered in the ablation clouds of carbon pellets, injected in magnetic fusion devices. Calculations were performed for a single electron density of 1017 cm−3 and two plasma temperatures (T = 2 and 4 eV. Ion and electron temperatures were assumed to be equal (Te = Ti = T. The magnetic field, B, was set equal to either to zero or 4 T. Comparisons between the line-shape modeling codes and two experimental spectra of the C ii 723-nm line, measured perpendicularly to the B-field in the Large Helical Device (LHD using linear polarizers, are also discussed.

  2. Vibration and acoustic frequency spectra for industrial process modeling using selective fusion multi-condition samples and multi-source features

    Science.gov (United States)

    Tang, Jian; Qiao, Junfei; Wu, ZhiWei; Chai, Tianyou; Zhang, Jian; Yu, Wen

    2018-01-01

    Frequency spectral data of mechanical vibration and acoustic signals relate to difficult-to-measure production quality and quantity parameters of complex industrial processes. A selective ensemble (SEN) algorithm can be used to build a soft sensor model of these process parameters by fusing valued information selectively from different perspectives. However, a combination of several optimized ensemble sub-models with SEN cannot guarantee the best prediction model. In this study, we use several techniques to construct mechanical vibration and acoustic frequency spectra of a data-driven industrial process parameter model based on selective fusion multi-condition samples and multi-source features. Multi-layer SEN (MLSEN) strategy is used to simulate the domain expert cognitive process. Genetic algorithm and kernel partial least squares are used to construct the inside-layer SEN sub-model based on each mechanical vibration and acoustic frequency spectral feature subset. Branch-and-bound and adaptive weighted fusion algorithms are integrated to select and combine outputs of the inside-layer SEN sub-models. Then, the outside-layer SEN is constructed. Thus, "sub-sampling training examples"-based and "manipulating input features"-based ensemble construction methods are integrated, thereby realizing the selective information fusion process based on multi-condition history samples and multi-source input features. This novel approach is applied to a laboratory-scale ball mill grinding process. A comparison with other methods indicates that the proposed MLSEN approach effectively models mechanical vibration and acoustic signals.

  3. Theoretical modeling of deuteration-induced shifts of the 0-0 bands in absorption spectra of selected aromatic amines: the role of the double-well potential.

    Science.gov (United States)

    Andrzejak, Marcin; Kolek, Przemysław

    2013-12-05

    The harmonic approximation fails for inversion of the NH2 group in the ground state of aromatic amines as this vibration is characterized by a symmetric double-well potential with relatively small energy barrier. In such cases, the standard harmonic vibrational analysis is inapplicable: the inversion frequency calculated for the bottom of the potential well is strongly overestimated, while it attains imaginary values for the planar conformation of the molecule. The model calculations are discussed taking explicitly into account the presence of the double-well potential. The study is initially focused on reproduction of the deuteration-induced shifts of the 0-0 absorption band for anthranilic acid. The (incorrect) harmonic frequency of the NH2 inversion is replaced by a better one, obtained from numerical calculations employing a simple, quartic-quadratic model for the double-well potential, which is parametrized using just the harmonic frequency of the inversion and the height of the energy barrier. This operation brings theoretical results to qualitative agreement with experiment. A still better match is achieved with a modified version of the model that accounts for mixing of the NH2 inversion mode with other normal modes while retaining the initial simplicity of one-dimensional approach. The corrected results show surprisingly good accuracy, with deviations of the calculated shifts from the experimental values reduced to less than 5 cm(-1). In order to test the performance of the model for systems with higher energy barrier for the NH2 inversion, we have measured the LIF excitation spectra of three different amminobenzonitriles. Partial assignment of the 0-0 bands has been achieved based on their relative intensities for samples with different isotopic exchange ratios. Calculated shifts are in excellent agreement with experimental values for the identified bands. Theoretical predictions are used to complete the assignment of the 0-0 bands in the spectra of the

  4. Preventive efficacy of NexGard Spectra® against Dipylidium caninum infection in dogs using a natural flea (Ctenocephalides felis) infestation model.

    Science.gov (United States)

    Beugnet, Frédéric; Meyer, Leon; Fourie, Josephus; Larsen, Diane

    2017-01-01

    The efficacy of a monthly oral endectocide product, NexGard Spectra ® (Merial), a combination of afoxolaner and milbemycin oxime, was evaluated in a flea (Ctenocephalides felis) challenge model for the prevention of Dipylidium caninum tapeworm infection in dogs. The efficacy of treatment with NexGard Spectra ® was assessed in 10 dogs following weekly flea infestation with metacestode naturally infected fleas and compared with that in 10 untreated control dogs. The 100 fleas deposited weekly on each dog were not removed until Day 35, allowing enough time for their ingestion. The microscopical analysis of 30 fleas from the flea batches before each weekly challenge demonstrated that 10-33% of the fleas were infected by D. caninum cysticercoid larvae. The arithmetic mean flea count recorded was 47.7 for the 10 untreated dogs and 0 for the 10 treated dogs at Day 35. Based on the daily collection of expelled D. caninum proglottids by dogs during the 70 days of the study, 70% (7/10) of the control dogs and 0% (0/10) of the treated dogs were infected with D. caninum (p caninum infestation. No treatment-related adverse events were observed in dogs during this study. © F. Beugnet et al., published by EDP Sciences, 2017.

  5. Cellobiose as a model system to reveal cellulose dissolution mechanism in acetate-based ionic liquids: Density functional theory study substantiated by NMR spectra.

    Science.gov (United States)

    Cao, Bobo; Du, Jiuyao; Du, Dongmei; Sun, Haitao; Zhu, Xiao; Fu, Hui

    2016-09-20

    Cellulose dissolution mechanism in acetate-based ionic liquids was systematically studied in Nuclear Magnetic Resonance (NMR) spectra and Density Functional Theory (DFT) methods by using cellobiose and 1-butyl-3-methylimidazolium acetate (BmimAc) as a model system. The solubility of cellulose in ionic liquid increased with temperature increase in the range of 90-140°C. NMR spectra suggested OAc(-) preferred to form stronger hydrogen bonds with hydrogen of hydroxyl in cellulose. Electrostatic potential method was employed to predict the most possible reaction sites and locate the most stable configuration. Atoms in molecules (AIM) theory was used to study the features of bonds at bond critical points and the variations of bond types. Simultaneously, noncovalent interactions were characterized and visualized by employing reduced density gradient analysis combined with Visual Molecular Dynamics (VMD) program. Natural bond orbital (NBO) theory was applied to study the noncovalent nature and characterize the orbital interactions between cellobiose and Bmim[OAc]. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Search for physics beyond the standard model in dilepton mass spectra in proton-proton collisions at $\\sqrt{s}$ = 8 TeV

    CERN Document Server

    Khachatryan, Vardan; Tumasyan, Armen; Adam, Wolfgang; Bergauer, Thomas; Dragicevic, Marko; Erö, Janos; Fabjan, Christian; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hartl, Christian; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; Kiesenhofer, Wolfgang; Knünz, Valentin; Krammer, Manfred; Krätschmer, Ilse; Liko, Dietrich; Mikulec, Ivan; Rabady, Dinyar; Rahbaran, Babak; Rohringer, Herbert; Schöfbeck, Robert; Strauss, Josef; Taurok, Anton; Treberer-Treberspurg, Wolfgang; Waltenberger, Wolfgang; Wulz, Claudia-Elisabeth; Mossolov, Vladimir; Shumeiko, Nikolai; Suarez Gonzalez, Juan; Alderweireldt, Sara; Bansal, Monika; Bansal, Sunil; Cornelis, Tom; De Wolf, Eddi A; Janssen, Xavier; Knutsson, Albert; Luyckx, Sten; Ochesanu, Silvia; Rougny, Romain; Van De Klundert, Merijn; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Blekman, Freya; Blyweert, Stijn; D'Hondt, Jorgen; Daci, Nadir; Heracleous, Natalie; Keaveney, James; Lowette, Steven; Maes, Michael; Olbrechts, Annik; Python, Quentin; Strom, Derek; Tavernier, Stefaan; Van Doninck, Walter; Van Mulders, Petra; Van Onsem, Gerrit Patrick; Villella, Ilaria; Caillol, Cécile; Clerbaux, Barbara; De Lentdecker, Gilles; Dobur, Didar; Favart, Laurent; Gay, Arnaud; Grebenyuk, Anastasia; Léonard, Alexandre; Mohammadi, Abdollah; Perniè, Luca; Reis, Thomas; Seva, Tomislav; Thomas, Laurent; Vander Velde, Catherine; Vanlaer, Pascal; Wang, Jian; Zenoni, Florian; Adler, Volker; Beernaert, Kelly; Benucci, Leonardo; Cimmino, Anna; Costantini, Silvia; Crucy, Shannon; Dildick, Sven; Fagot, Alexis; Garcia, Guillaume; Mccartin, Joseph; Ocampo Rios, Alberto Andres; Ryckbosch, Dirk; Salva Diblen, Sinem; Sigamani, Michael; Strobbe, Nadja; Thyssen, Filip; Tytgat, Michael; Yazgan, Efe; Zaganidis, Nicolas; Basegmez, Suzan; Beluffi, Camille; Bruno, Giacomo; Castello, Roberto; Caudron, Adrien; Ceard, Ludivine; Da Silveira, Gustavo Gil; Delaere, Christophe; Du Pree, Tristan; Favart, Denis; Forthomme, Laurent; Giammanco, Andrea; Hollar, Jonathan; Jafari, Abideh; Jez, Pavel; Komm, Matthias; Lemaitre, Vincent; Nuttens, Claude; Pagano, Davide; Perrini, Lucia; Pin, Arnaud; Piotrzkowski, Krzysztof; Popov, Andrey; Quertenmont, Loic; Selvaggi, Michele; Vidal Marono, Miguel; Vizan Garcia, Jesus Manuel; Beliy, Nikita; Caebergs, Thierry; Daubie, Evelyne; Hammad, Gregory Habib; Aldá Júnior, Walter Luiz; Alves, Gilvan; Brito, Lucas; Correa Martins Junior, Marcos; Dos Reis Martins, Thiago; Mora Herrera, Clemencia; Pol, Maria Elena; Carvalho, Wagner; Chinellato, Jose; Custódio, Analu; Melo Da Costa, Eliza; De Jesus Damiao, Dilson; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Malbouisson, Helena; Matos Figueiredo, Diego; Mundim, Luiz; Nogima, Helio; Prado Da Silva, Wanda Lucia; Santaolalla, Javier; Santoro, Alberto; Sznajder, Andre; Tonelli Manganote, Edmilson José; Vilela Pereira, Antonio; Bernardes, Cesar Augusto; Dogra, Sunil; Tomei, Thiago; De Moraes Gregores, Eduardo; Mercadante, Pedro G; Novaes, Sergio F; Padula, Sandra; Aleksandrov, Aleksandar; Genchev, Vladimir; Iaydjiev, Plamen; Marinov, Andrey; Piperov, Stefan; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Vutova, Mariana; Dimitrov, Anton; Glushkov, Ivan; Hadjiiska, Roumyana; Kozhuharov, Venelin; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Chen, Mingshui; Du, Ran; Jiang, Chun-Hua; Plestina, Roko; Romeo, Francesco; Tao, Junquan; Wang, Zheng; Asawatangtrakuldee, Chayanit; Ban, Yong; Li, Qiang; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Wang, Dayong; Zou, Wei; Avila, Carlos; Chaparro Sierra, Luisa Fernanda; Florez, Carlos; Gomez, Juan Pablo; Gomez Moreno, Bernardo; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Polic, Dunja; Puljak, Ivica; Antunovic, Zeljko; Kovac, Marko; Brigljevic, Vuko; Kadija, Kreso; Luetic, Jelena; Mekterovic, Darko; Sudic, Lucija; Attikis, Alexandros; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Bodlak, Martin; Finger, Miroslav; Finger Jr, Michael; Assran, Yasser; Elgammal, Sherif; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Murumaa, Marion; Raidal, Martti; Tiko, Andres; Eerola, Paula; Fedi, Giacomo; Voutilainen, Mikko; Härkönen, Jaakko; Karimäki, Veikko; Kinnunen, Ritva; Kortelainen, Matti J; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Mäenpää, Teppo; Peltola, Timo; Tuominen, Eija; Tuominiemi, Jorma; Tuovinen, Esa; Wendland, Lauri; Talvitie, Joonas; Tuuva, Tuure; Besancon, Marc; Couderc, Fabrice; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Favaro, Carlotta; Ferri, Federico; Ganjour, Serguei; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Locci, Elizabeth; Malcles, Julie; Rander, John; Rosowsky, André; Titov, Maksym; Baffioni, Stephanie; Beaudette, Florian; Busson, Philippe; Charlot, Claude; Dahms, Torsten; Dalchenko, Mykhailo; Dobrzynski, Ludwik; Filipovic, Nicolas; Florent, Alice; Granier de Cassagnac, Raphael; Mastrolorenzo, Luca; Miné, Philippe; Mironov, Camelia; Naranjo, Ivo Nicolas; Nguyen, Matthew; Ochando, Christophe; Paganini, Pascal; Regnard, Simon; Salerno, Roberto; Sauvan, Jean-Baptiste; Sirois, Yves; Veelken, Christian; Yilmaz, Yetkin; Zabi, Alexandre; Agram, Jean-Laurent; Andrea, Jeremy; Aubin, Alexandre; Bloch, Daniel; Brom, Jean-Marie; Chabert, Eric Christian; Collard, Caroline; Conte, Eric; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Goetzmann, Christophe; Le Bihan, Anne-Catherine; Van Hove, Pierre; Gadrat, Sébastien; Beauceron, Stephanie; Beaupere, Nicolas; Boudoul, Gaelle; Bouvier, Elvire; Brochet, Sébastien; Carrillo Montoya, Camilo Andres; Chasserat, Julien; Chierici, Roberto; Contardo, Didier; Depasse, Pierre; El Mamouni, Houmani; Fan, Jiawei; Fay, Jean; Gascon, Susan; Gouzevitch, Maxime; Ille, Bernard; Kurca, Tibor; Lethuillier, Morgan; Mirabito, Laurent; Perries, Stephane; Ruiz Alvarez, José David; Sabes, David; Sgandurra, Louis; Sordini, Viola; Vander Donckt, Muriel; Verdier, Patrice; Viret, Sébastien; Xiao, Hong; Tsamalaidze, Zviad; Autermann, Christian; Beranek, Sarah; Bontenackels, Michael; Edelhoff, Matthias; Feld, Lutz; Hindrichs, Otto; Klein, Katja; Ostapchuk, Andrey; Perieanu, Adrian; Raupach, Frank; Sammet, Jan; Schael, Stefan; Weber, Hendrik; Wittmer, Bruno; Zhukov, Valery; Ata, Metin; Brodski, Michael; Dietz-Laursonn, Erik; Duchardt, Deborah; Erdmann, Martin; Fischer, Robert; Güth, Andreas; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Klingebiel, Dennis; Knutzen, Simon; Kreuzer, Peter; Merschmeyer, Markus; Meyer, Arnd; Millet, Philipp; Olschewski, Mark; Padeken, Klaas; Papacz, Paul; Pook, Tobias; Reithler, Hans; Schmitz, Stefan Antonius; Sonnenschein, Lars; Teyssier, Daniel; Thüer, Sebastian; Weber, Martin; Cherepanov, Vladimir; Erdogan, Yusuf; Flügge, Günter; Geenen, Heiko; Geisler, Matthias; Haj Ahmad, Wael; Heister, Arno; Hoehle, Felix; Kargoll, Bastian; Kress, Thomas; Kuessel, Yvonne; Künsken, Andreas; Lingemann, Joschka; Nowack, Andreas; Nugent, Ian Michael; Perchalla, Lars; Pooth, Oliver; Stahl, Achim; Asin, Ivan; Bartosik, Nazar; Behr, Joerg; Behrenhoff, Wolf; Behrens, Ulf; Bell, Alan James; Bergholz, Matthias; Bethani, Agni; Borras, Kerstin; Burgmeier, Armin; Cakir, Altan; Calligaris, Luigi; Campbell, Alan; Choudhury, Somnath; Costanza, Francesco; Diez Pardos, Carmen; Dooling, Samantha; Dorland, Tyler; Eckerlin, Guenter; Eckstein, Doris; Eichhorn, Thomas; Flucke, Gero; Garay Garcia, Jasone; Geiser, Achim; Gunnellini, Paolo; Hauk, Johannes; Hempel, Maria; Horton, Dean; Jung, Hannes; Kalogeropoulos, Alexis; Kasemann, Matthias; Katsas, Panagiotis; Kieseler, Jan; Kleinwort, Claus; Krücker, Dirk; Lange, Wolfgang; Leonard, Jessica; Lipka, Katerina; Lobanov, Artur; Lohmann, Wolfgang; Lutz, Benjamin; Mankel, Rainer; Marfin, Ihar; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mittag, Gregor; Mnich, Joachim; Mussgiller, Andreas; Naumann-Emme, Sebastian; Nayak, Aruna; Novgorodova, Olga; Ntomari, Eleni; Perrey, Hanno; Pitzl, Daniel; Placakyte, Ringaile; Raspereza, Alexei; Ribeiro Cipriano, Pedro M; Roland, Benoit; Ron, Elias; Sahin, Mehmet Özgür; Salfeld-Nebgen, Jakob; Saxena, Pooja; Schmidt, Ringo; Schoerner-Sadenius, Thomas; Schröder, Matthias; Seitz, Claudia; Spannagel, Simon; Vargas Trevino, Andrea Del Rocio; Walsh, Roberval; Wissing, Christoph; Aldaya Martin, Maria; Blobel, Volker; Centis Vignali, Matteo; Draeger, Arne-Rasmus; Erfle, Joachim; Garutti, Erika; Goebel, Kristin; Görner, Martin; Haller, Johannes; Hoffmann, Malte; Höing, Rebekka Sophie; Kirschenmann, Henning; Klanner, Robert; Kogler, Roman; Lange, Jörn; Lapsien, Tobias; Lenz, Teresa; Marchesini, Ivan; Ott, Jochen; Peiffer, Thomas; Pietsch, Niklas; Poehlsen, Jennifer; Pöhlsen, Thomas; Rathjens, Denis; Sander, Christian; Schettler, Hannes; Schleper, Peter; Schlieckau, Eike; Schmidt, Alexander; Seidel, Markus; Sola, Valentina; Stadie, Hartmut; Steinbrück, Georg; Troendle, Daniel; Usai, Emanuele; Vanelderen, Lukas; Vanhoefer, Annika; Barth, Christian; Baus, Colin; Berger, Joram; Böser, Christian; Butz, Erik; Chwalek, Thorsten; De Boer, Wim; Descroix, Alexis; Dierlamm, Alexander; Feindt, Michael; Frensch, Felix; Giffels, Manuel; Hartmann, Frank; Hauth, Thomas; Husemann, Ulrich; Katkov, Igor; Kornmayer, Andreas; Kuznetsova, Ekaterina; Lobelle Pardo, Patricia; Mozer, Matthias Ulrich; Müller, Thomas; Nürnberg, Andreas; Quast, Gunter; Rabbertz, Klaus; Ratnikov, Fedor; Röcker, Steffen; Simonis, Hans-Jürgen; Stober, Fred-Markus Helmut; Ulrich, Ralf; Wagner-Kuhr, Jeannine; Wayand, Stefan; Weiler, Thomas; Wolf, Roger; Anagnostou, Georgios; Daskalakis, Georgios; Geralis, Theodoros; Giakoumopoulou, Viktoria Athina; Kyriakis, Aristotelis; Loukas, Demetrios; Markou, Athanasios; Markou, Christos; Psallidas, Andreas; Topsis-Giotis, Iasonas; Agapitos, Antonis; Kesisoglou, Stilianos; Panagiotou, Apostolos; Saoulidou, Niki; Stiliaris, Efstathios; Aslanoglou, Xenofon; Evangelou, Ioannis; Flouris, Giannis; Foudas, Costas; Kokkas, Panagiotis; Manthos, Nikolaos; Papadopoulos, Ioannis; Paradas, Evangelos; Bencze, Gyorgy; Hajdu, Csaba; Hidas, Pàl; Horvath, Dezso; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Zsigmond, Anna Julia; Beni, Noemi; Czellar, Sandor; Karancsi, János; Molnar, Jozsef; Palinkas, Jozsef; Szillasi, Zoltan; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Swain, Sanjay Kumar; Beri, Suman Bala; Bhatnagar, Vipin; Gupta, Ruchi; Bhawandeep, Bhawandeep; Kalsi, Amandeep Kaur; Kaur, Manjit; Kumar, Ramandeep; Mittal, Monika; Nishu, Nishu; Singh, Jasbir; Kumar, Ashok; Kumar, Arun; Ahuja, Sudha; Bhardwaj, Ashutosh; Choudhary, Brajesh C; Kumar, Ajay; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Sharma, Varun; Banerjee, Sunanda; Bhattacharya, Satyaki; Chatterjee, Kalyanmoy; Dutta, Suchandra; Gomber, Bhawna; Jain, Sandhya; Jain, Shilpi; Khurana, Raman; Modak, Atanu; Mukherjee, Swagata; Roy, Debarati; Sarkar, Subir; Sharan, Manoj; Abdulsalam, Abdulla; Dutta, Dipanwita; Kailas, Swaminathan; Kumar, Vineet; Mohanty, Ajit Kumar; Pant, Lalit Mohan; Shukla, Prashant; Topkar, Anita; Aziz, Tariq; Banerjee, Sudeshna; Bhowmik, Sandeep; Chatterjee, Rajdeep Mohan; Dewanjee, Ram Krishna; Dugad, Shashikant; Ganguly, Sanmay; Ghosh, Saranya; Guchait, Monoranjan; Gurtu, Atul; Kole, Gouranga; Kumar, Sanjeev; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Mohanty, Gagan Bihari; Parida, Bibhuti; Sudhakar, Katta; Wickramage, Nadeesha; Bakhshiansohi, Hamed; Behnamian, Hadi; Etesami, Seyed Mohsen; Fahim, Ali; Goldouzian, Reza; Khakzad, Mohsen; Mohammadi Najafabadi, Mojtaba; Naseri, Mohsen; Paktinat Mehdiabadi, Saeid; Rezaei Hosseinabadi, Ferdos; Safarzadeh, Batool; Zeinali, Maryam; Felcini, Marta; Grunewald, Martin; Abbrescia, Marcello; Barbone, Lucia; Calabria, Cesare; Chhibra, Simranjit Singh; Colaleo, Anna; Creanza, Donato; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Maggi, Giorgio; Maggi, Marcello; My, Salvatore; Nuzzo, Salvatore; Pompili, Alexis; Pugliese, Gabriella; Radogna, Raffaella; Selvaggi, Giovanna; Sharma, Archana; Silvestris, Lucia; Venditti, Rosamaria; Zito, Giuseppe; Abbiendi, Giovanni; Benvenuti, Alberto; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Campanini, Renato; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Codispoti, Giuseppe; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Montanari, Alessandro; Navarria, Francesco; Perrotta, Andrea; Primavera, Federica; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gian Piero; Tosi, Nicolò; Travaglini, Riccardo; Albergo, Sebastiano; Cappello, Gigi; Chiorboli, Massimiliano; Costa, Salvatore; Giordano, Ferdinando; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Gallo, Elisabetta; Gonzi, Sandro; Gori, Valentina; Lenzi, Piergiulio; Meschini, Marco; Paoletti, Simone; Sguazzoni, Giacomo; Tropiano, Antonio; Benussi, Luigi; Bianco, Stefano; Fabbri, Franco; Piccolo, Davide; Ferretti, Roberta; Ferro, Fabrizio; Lo Vetere, Maurizio; Robutti, Enrico; Tosi, Silvano; Dinardo, Mauro Emanuele; Fiorendi, Sara; Gennai, Simone; Gerosa, Raffaele; Ghezzi, Alessio; Govoni, Pietro; Lucchini, Marco Toliman; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Martelli, Arabella; Marzocchi, Badder; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Ragazzi, Stefano; Redaelli, Nicola; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Cavallo, Nicola; Di Guida, Salvatore; Fabozzi, Francesco; Iorio, Alberto Orso Maria; Lista, Luca; Meola, Sabino; Merola, Mario; Paolucci, Pierluigi; Azzi, Patrizia; Bacchetta, Nicola; Bisello, Dario; Branca, Antonio; Carlin, Roberto; Checchia, Paolo; Dall'Osso, Martino; Dorigo, Tommaso; Dosselli, Umberto; Galanti, Mario; Gasparini, Fabrizio; Gasparini, Ugo; Giubilato, Piero; Gozzelino, Andrea; Kanishchev, Konstantin; Lacaprara, Stefano; Margoni, Martino; Meneguzzo, Anna Teresa; Pazzini, Jacopo; Pozzobon, Nicola; Ronchese, Paolo; Simonetto, Franco; Torassa, Ezio; Tosi, Mia; Zotto, Pierluigi; Zucchetta, Alberto; Zumerle, Gianni; Gabusi, Michele; Ratti, Sergio P; Re, Valerio; Riccardi, Cristina; Salvini, Paola; Vitulo, Paolo; Biasini, Maurizio; Bilei, Gian Mario; Ciangottini, Diego; Fanò, Livio; Lariccia, Paolo; Mantovani, Giancarlo; Menichelli, Mauro; Saha, Anirban; Santocchia, Attilio; Spiezia, Aniello; Androsov, Konstantin; Azzurri, Paolo; Bagliesi, Giuseppe; Bernardini, Jacopo; Boccali, Tommaso; Broccolo, Giuseppe; Castaldi, Rino; Ciocci, Maria Agnese; Dell'Orso, Roberto; Donato, Silvio; Fiori, Francesco; Foà, Lorenzo; Giassi, Alessandro; Grippo, Maria Teresa; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Moon, Chang-Seong; Palla, Fabrizio; Rizzi, Andrea; Savoy-Navarro, Aurore; Serban, Alin Titus; Spagnolo, Paolo; Squillacioti, Paola; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Vernieri, Caterina; Barone, Luciano; Cavallari, Francesca; D'imperio, Giulia; Del Re, Daniele; Diemoz, Marcella; Grassi, Marco; Jorda, Clara; Longo, Egidio; Margaroli, Fabrizio; Meridiani, Paolo; Micheli, Francesco; Nourbakhsh, Shervin; Organtini, Giovanni; Paramatti, Riccardo; Rahatlou, Shahram; Rovelli, Chiara; Santanastasio, Francesco; Soffi, Livia; Traczyk, Piotr; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Bellan, Riccardo; Biino, Cristina; Cartiglia, Nicolo; Casasso, Stefano; Costa, Marco; Degano, Alessandro; Demaria, Natale; Finco, Linda; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Musich, Marco; Obertino, Maria Margherita; Ortona, Giacomo; Pacher, Luca; Pastrone, Nadia; Pelliccioni, Mario; Pinna Angioni, Gian Luca; Potenza, Alberto; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Solano, Ada; Staiano, Amedeo; Tamponi, Umberto; Belforte, Stefano; Candelise, Vieri; Casarsa, Massimo; Cossutti, Fabio; Della Ricca, Giuseppe; Gobbo, Benigno; La Licata, Chiara; Marone, Matteo; Schizzi, Andrea; Umer, Tomo; Zanetti, Anna; Chang, Sunghyun; Kropivnitskaya, Anna; Nam, Soon-Kwon; Kim, Dong Hee; Kim, Gui Nyun; Kim, Min Suk; Kong, Dae Jung; Lee, Sangeun; Oh, Young Do; Park, Hyangkyu; Sakharov, Alexandre; Son, Dong-Chul; Kim, Tae Jeong; Kim, Jae Yool; Song, Sanghyeon; Choi, Suyong; Gyun, Dooyeon; Hong, Byung-Sik; Jo, Mihee; Kim, Hyunchul; Kim, Yongsun; Lee, Byounghoon; Lee, Kyong Sei; Park, Sung Keun; Roh, Youn; Choi, Minkyoo; Kim, Ji Hyun; Park, Inkyu; Ryu, Geonmo; Ryu, Min Sang; Choi, Young-Il; Choi, Young Kyu; Goh, Junghwan; Kim, Donghyun; Kwon, Eunhyang; Lee, Jongseok; Seo, Hyunkwan; Yu, Intae; Juodagalvis, Andrius; Komaragiri, Jyothsna Rani; Md Ali, Mohd Adli Bin; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-de La Cruz, Ivan; Hernandez-Almada, Alberto; Lopez-Fernandez, Ricardo; Sánchez Hernández, Alberto; Carrillo Moreno, Salvador; Vazquez Valencia, Fabiola; Pedraza, Isabel; Salazar Ibarguen, Humberto Antonio; Casimiro Linares, Edgar; Morelos Pineda, Antonio; Krofcheck, David; Butler, Philip H; Reucroft, Steve; Ahmad, Ashfaq; Ahmad, Muhammad; Hassan, Qamar; Hoorani, Hafeez R; Khalid, Shoaib; Khan, Wajid Ali; Khurshid, Taimoor; Shah, Mehar Ali; Shoaib, Muhammad; Bialkowska, Helena; Bluj, Michal; Boimska, Bożena; Frueboes, Tomasz; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Zalewski, Piotr; Brona, Grzegorz; Bunkowski, Karol; Cwiok, Mikolaj; Dominik, Wojciech; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Misiura, Maciej; Olszewski, Michał; Wolszczak, Weronika; Bargassa, Pedrame; Beirão Da Cruz E Silva, Cristóvão; Faccioli, Pietro; Ferreira Parracho, Pedro Guilherme; Gallinaro, Michele; Lloret Iglesias, Lara; Nguyen, Federico; Rodrigues Antunes, Joao; Seixas, Joao; Varela, Joao; Vischia, Pietro; Golutvin, Igor; Gorbunov, Ilya; Kamenev, Alexey; Karjavin, Vladimir; Konoplyanikov, Viktor; Kozlov, Guennady; Lanev, Alexander; Malakhov, Alexander; Matveev, Viktor; Moisenz, Petr; Palichik, Vladimir; Perelygin, Victor; Savina, Maria; Shmatov, Sergey; Shulha, Siarhei; Skatchkov, Nikolai; Smirnov, Vitaly; Zarubin, Anatoli; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Levchenko, Petr; Murzin, Victor; Oreshkin, Vadim; Smirnov, Igor; Sulimov, Valentin; Uvarov, Lev; Vavilov, Sergey; Vorobyev, Alexey; Vorobyev, Andrey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Kirsanov, Mikhail; Krasnikov, Nikolai; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Gavrilov, Vladimir; Lychkovskaya, Natalia; Popov, Vladimir; Safronov, Grigory; Semenov, Sergey; Spiridonov, Alexander; Stolin, Viatcheslav; Vlasov, Evgueni; Zhokin, Alexander; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Mesyats, Gennady; Rusakov, Sergey V; Vinogradov, Alexey; Belyaev, Andrey; Boos, Edouard; Bunichev, Viacheslav; Dubinin, Mikhail; Dudko, Lev; Gribushin, Andrey; Klyukhin, Vyacheslav; Kodolova, Olga; Lokhtin, Igor; Obraztsov, Stepan; Perfilov, Maxim; Savrin, Viktor; Snigirev, Alexander; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Kachanov, Vassili; Kalinin, Alexey; Konstantinov, Dmitri; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Tourtchanovitch, Leonid; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Ekmedzic, Marko; Milosevic, Jovan; Rekovic, Vladimir; Alcaraz Maestre, Juan; Battilana, Carlo; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Domínguez Vázquez, Daniel; Escalante Del Valle, Alberto; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Navarro De Martino, Eduardo; Pérez-Calero Yzquierdo, Antonio María; Puerta Pelayo, Jesus; Quintario Olmeda, Adrián; Redondo, Ignacio; Romero, Luciano; Senghi Soares, Mara; Albajar, Carmen; de Trocóniz, Jorge F; Missiroli, Marino; Moran, Dermot; Brun, Hugues; Cuevas, Javier; Fernandez Menendez, Javier; Folgueras, Santiago; Gonzalez Caballero, Isidro; Brochero Cifuentes, Javier Andres; Cabrillo, Iban Jose; Calderon, Alicia; Duarte Campderros, Jordi; Fernandez, Marcos; Gomez, Gervasio; Graziano, Alberto; Lopez Virto, Amparo; Marco, Jesus; Marco, Rafael; Martinez Rivero, Celso; Matorras, Francisco; Munoz Sanchez, Francisca Javiela; Piedra Gomez, Jonatan; Rodrigo, Teresa; Rodríguez-Marrero, Ana Yaiza; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Bachtis, Michail; Baillon, Paul; Ball, Austin; Barney, David; Benaglia, Andrea; Bendavid, Joshua; Benhabib, Lamia; Benitez, Jose F; Bernet, Colin; Bloch, Philippe; Bocci, Andrea; Bonato, Alessio; Bondu, Olivier; Botta, Cristina; Breuker, Horst; Camporesi, Tiziano; Cerminara, Gianluca; Colafranceschi, Stefano; D'Alfonso, Mariarosaria; D'Enterria, David; Dabrowski, Anne; David Tinoco Mendes, Andre; De Guio, Federico; De Roeck, Albert; De Visscher, Simon; Di Marco, Emanuele; Dobson, Marc; Dordevic, Milos; Dorney, Brian; Dupont-Sagorin, Niels; Elliott-Peisert, Anna; Eugster, Jürg; Franzoni, Giovanni; Funk, Wolfgang; Gigi, Dominique; Gill, Karl; Giordano, Domenico; Girone, Maria; Glege, Frank; Guida, Roberto; Gundacker, Stefan; Guthoff, Moritz; Hammer, Josef; Hansen, Magnus; Harris, Philip; Hegeman, Jeroen; Innocente, Vincenzo; Janot, Patrick; Kousouris, Konstantinos; Krajczar, Krisztian; Lecoq, Paul; Lourenco, Carlos; Magini, Nicolo; Malgeri, Luca; Mannelli, Marcello; Marrouche, Jad; Masetti, Lorenzo; Meijers, Frans; Mersi, Stefano; Meschi, Emilio; Moortgat, Filip; Morovic, Srecko; Mulders, Martijn; Musella, Pasquale; Orsini, Luciano; Pape, Luc; Perez, Emmanuelle; Perrozzi, Luca; Petrilli, Achille; Petrucciani, Giovanni; Pfeiffer, Andreas; Pierini, Maurizio; Pimiä, Martti; Piparo, Danilo; Plagge, Michael; Racz, Attila; Rolandi, Gigi; Rovere, Marco; Sakulin, Hannes; Schäfer, Christoph; Schwick, Christoph; Sharma, Archana; Siegrist, Patrice; Silva, Pedro; Simon, Michal; Sphicas, Paraskevas; Spiga, Daniele; Steggemann, Jan; Stieger, Benjamin; Stoye, Markus; Takahashi, Yuta; Treille, Daniel; Tsirou, Andromachi; Veres, Gabor Istvan; Wardle, Nicholas; Wöhri, Hermine Katharina; Wollny, Heiner; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; Kotlinski, Danek; Langenegger, Urs; Renker, Dieter; Rohe, Tilman; Bachmair, Felix; Bäni, Lukas; Bianchini, Lorenzo; Buchmann, Marco-Andrea; Casal, Bruno; Chanon, Nicolas; Dissertori, Günther; Dittmar, Michael; Donegà, Mauro; Dünser, Marc; Eller, Philipp; Grab, Christoph; Hits, Dmitry; Hoss, Jan; Lustermann, Werner; Mangano, Boris; Marini, Andrea Carlo; Martinez Ruiz del Arbol, Pablo; Masciovecchio, Mario; Meister, Daniel; Mohr, Niklas; Nägeli, Christoph; Nessi-Tedaldi, Francesca; Pandolfi, Francesco; Pauss, Felicitas; Peruzzi, Marco; Quittnat, Milena; Rebane, Liis; Rossini, Marco; Starodumov, Andrei; Takahashi, Maiko; Theofilatos, Konstantinos; Wallny, Rainer; Weber, Hannsjoerg Artur; Amsler, Claude; Canelli, Maria Florencia; Chiochia, Vincenzo; De Cosa, Annapaola; Hinzmann, Andreas; Hreus, Tomas; Kilminster, Benjamin; Lange, Clemens; Millan Mejias, Barbara; Ngadiuba, Jennifer; Robmann, Peter; Ronga, Frederic Jean; Taroni, Silvia; Verzetti, Mauro; Yang, Yong; Cardaci, Marco; Chen, Kuan-Hsin; Ferro, Cristina; Kuo, Chia-Ming; Lin, Willis; Lu, Yun-Ju; Volpe, Roberta; Yu, Shin-Shan; Chang, Paoti; Chang, You-Hao; Chang, Yu-Wei; Chao, Yuan; Chen, Kai-Feng; Chen, Po-Hsun; Dietz, Charles; Grundler, Ulysses; Hou, George Wei-Shu; Kao, Kai-Yi; Lei, Yeong-Jyi; Liu, Yueh-Feng; Lu, Rong-Shyang; Majumder, Devdatta; Petrakou, Eleni; Tzeng, Yeng-Ming; Wilken, Rachel; Asavapibhop, Burin; Singh, Gurpreet; Srimanobhas, Norraphat; Suwonjandee, Narumon; Adiguzel, Aytul; Bakirci, Mustafa Numan; Cerci, Salim; Dozen, Candan; Dumanoglu, Isa; Eskut, Eda; Girgis, Semiray; Gokbulut, Gul; Gurpinar, Emine; Hos, Ilknur; Kangal, Evrim Ersin; Kayis Topaksu, Aysel; Onengut, Gulsen; Ozdemir, Kadri; Ozturk, Sertac; Polatoz, Ayse; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Vergili, Mehmet; Akin, Ilina Vasileva; Bilin, Bugra; Bilmis, Selcuk; Gamsizkan, Halil; Karapinar, Guler; Ocalan, Kadir; Sekmen, Sezen; Surat, Ugur Emrah; Yalvac, Metin; Zeyrek, Mehmet; Gülmez, Erhan; Isildak, Bora; Kaya, Mithat; Kaya, Ozlem; Cankocak, Kerem; Vardarli, Fuat Ilkehan; Levchuk, Leonid; Sorokin, Pavel; Brooke, James John; Clement, Emyr; Cussans, David; Flacher, Henning; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Jacob, Jeson; Kreczko, Lukasz; Lucas, Chris; Meng, Zhaoxia; Newbold, Dave M; Paramesvaran, Sudarshan; Poll, Anthony; Senkin, Sergey; Smith, Vincent J; Williams, Thomas; Bell, Ken W; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Cockerill, David JA; Coughlan, John A; Harder, Kristian; Harper, Sam; Olaiya, Emmanuel; Petyt, David; Shepherd-Themistocleous, Claire; Thea, Alessandro; Tomalin, Ian R; Womersley, William John; Worm, Steven; Baber, Mark; Bainbridge, Robert; Buchmuller, Oliver; Burton, Darren; Colling, David; Cripps, Nicholas; Cutajar, Michael; Dauncey, Paul; Davies, Gavin; Della Negra, Michel; Dunne, Patrick; Ferguson, William; Fulcher, Jonathan; Futyan, David; Gilbert, Andrew; Hall, Geoffrey; Iles, Gregory; Jarvis, Martyn; Karapostoli, Georgia; Kenzie, Matthew; Lane, Rebecca; Lucas, Robyn; Lyons, Louis; Magnan, Anne-Marie; Malik, Sarah; Mathias, Bryn; Nash, Jordan; Nikitenko, Alexander; Pela, Joao; Pesaresi, Mark; Petridis, Konstantinos; Raymond, David Mark; Rogerson, Samuel; Rose, Andrew; Seez, Christopher; Sharp, Peter; Tapper, Alexander; Vazquez Acosta, Monica; Virdee, Tejinder; Zenz, Seth Conrad; Cole, Joanne; Hobson, Peter R; Khan, Akram; Kyberd, Paul; Leggat, Duncan; Leslie, Dawn; Martin, William; Reid, Ivan; Symonds, Philip; Teodorescu, Liliana; Turner, Mark; Dittmann, Jay; Hatakeyama, Kenichi; Kasmi, Azeddine; Liu, Hongxuan; Scarborough, Tara; Charaf, Otman; Cooper, Seth; Henderson, Conor; Rumerio, Paolo; Avetisyan, Aram; Bose, Tulika; Fantasia, Cory; Lawson, Philip; Richardson, Clint; Rohlf, James; St John, Jason; Sulak, Lawrence; Alimena, Juliette; Berry, Edmund; Bhattacharya, Saptaparna; Christopher, Grant; Cutts, David; Demiragli, Zeynep; Dhingra, Nitish; Ferapontov, Alexey; Garabedian, Alex; Heintz, Ulrich; Kukartsev, Gennadiy; Laird, Edward; Landsberg, Greg; Luk, Michael; Narain, Meenakshi; Segala, Michael; Sinthuprasith, Tutanon; Speer, Thomas; Swanson, Joshua; Breedon, Richard; Breto, Guillermo; Calderon De La Barca Sanchez, Manuel; Chauhan, Sushil; Chertok, Maxwell; Conway, John; Conway, Rylan; Cox, Peter Timothy; Erbacher, Robin; Gardner, Michael; Ko, Winston; Lander, Richard; Miceli, Tia; Mulhearn, Michael; Pellett, Dave; Pilot, Justin; Ricci-Tam, Francesca; Searle, Matthew; Shalhout, Shalhout; Smith, John; Squires, Michael; Stolp, Dustin; Tripathi, Mani; Wilbur, Scott; Yohay, Rachel; Cousins, Robert; Everaerts, Pieter; Farrell, Chris; Hauser, Jay; Ignatenko, Mikhail; Rakness, Gregory; Takasugi, Eric; Valuev, Vyacheslav; Weber, Matthias; Burt, Kira; Clare, Robert; Ellison, John Anthony; Gary, J William; Hanson, Gail; Heilman, Jesse; Ivova Rikova, Mirena; Jandir, Pawandeep; Kennedy, Elizabeth; Lacroix, Florent; Long, Owen Rosser; Luthra, Arun; Malberti, Martina; Nguyen, Harold; Olmedo Negrete, Manuel; Shrinivas, Amithabh; Sumowidagdo, Suharyo; Wimpenny, Stephen; Andrews, Warren; Branson, James G; Cerati, Giuseppe Benedetto; Cittolin, Sergio; D'Agnolo, Raffaele Tito; Evans, David; Holzner, André; Kelley, Ryan; Klein, Daniel; Lebourgeois, Matthew; Letts, James; Macneill, Ian; Olivito, Dominick; Padhi, Sanjay; Palmer, Christopher; Pieri, Marco; Sani, Matteo; Sharma, Vivek; Simon, Sean; Sudano, Elizabeth; Tadel, Matevz; Tu, Yanjun; Vartak, Adish; Welke, Charles; Würthwein, Frank; Yagil, Avraham; Barge, Derek; Bradmiller-Feld, John; Campagnari, Claudio; Danielson, Thomas; Dishaw, Adam; Dutta, Valentina; Flowers, Kristen; Franco Sevilla, Manuel; Geffert, Paul; George, Christopher; Golf, Frank; Gouskos, Loukas; Incandela, Joe; Justus, Christopher; Mccoll, Nickolas; Richman, Jeffrey; Stuart, David; To, Wing; West, Christopher; Yoo, Jaehyeok; Apresyan, Artur; Bornheim, Adolf; Bunn, Julian; Chen, Yi; Duarte, Javier; Mott, Alexander; Newman, Harvey B; Pena, Cristian; Rogan, Christopher; Spiropulu, Maria; Timciuc, Vladlen; Vlimant, Jean-Roch; Wilkinson, Richard; Xie, Si; Zhu, Ren-Yuan; Azzolini, Virginia; Calamba, Aristotle; Carlson, Benjamin; Ferguson, Thomas; Iiyama, Yutaro; Paulini, Manfred; Russ, James; Vogel, Helmut; Vorobiev, Igor; Cumalat, John Perry; Ford, William T; Gaz, Alessandro; Luiggi Lopez, Eduardo; Nauenberg, Uriel; Smith, James; Stenson, Kevin; Ulmer, Keith; Wagner, Stephen Robert; Alexander, James; Chatterjee, Avishek; Chu, Jennifer; Dittmer, Susan; Eggert, Nicholas; Mirman, Nathan; Nicolas Kaufman, Gala; Patterson, Juliet Ritchie; Ryd, Anders; Salvati, Emmanuele; Skinnari, Louise; Sun, Werner; Teo, Wee Don; Thom, Julia; Thompson, Joshua; Tucker, Jordan; Weng, Yao; Winstrom, Lucas; Wittich, Peter; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Anderson, Jacob; Apollinari, Giorgio; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Bolla, Gino; Burkett, Kevin; Butler, Joel Nathan; Cheung, Harry; Chlebana, Frank; Cihangir, Selcuk; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gao, Yanyan; Gottschalk, Erik; Gray, Lindsey; Green, Dan; Grünendahl, Stefan; Gutsche, Oliver; Hanlon, Jim; Hare, Daryl; Harris, Robert M; Hirschauer, James; Hooberman, Benjamin; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Kaadze, Ketino; Klima, Boaz; Kreis, Benjamin; Kwan, Simon; Linacre, Jacob; Lincoln, Don; Lipton, Ron; Liu, Tiehui; Lykken, Joseph; Maeshima, Kaori; Marraffino, John Michael; Martinez Outschoorn, Verena Ingrid; Maruyama, Sho; Mason, David; McBride, Patricia; Merkel, Petra; Mishra, Kalanand; Mrenna, Stephen; Musienko, Yuri; Nahn, Steve; Newman-Holmes, Catherine; O'Dell, Vivian; Prokofyev, Oleg; Sexton-Kennedy, Elizabeth; Sharma, Seema; Soha, Aron; Spalding, William J; Spiegel, Leonard; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vidal, Richard; Whitbeck, Andrew; Whitmore, Juliana; Yang, Fan; Acosta, Darin; Avery, Paul; Bortignon, Pierluigi; Bourilkov, Dimitri; Carver, Matthew; Cheng, Tongguang; Curry, David; Das, Souvik; De Gruttola, Michele; Di Giovanni, Gian Piero; Field, Richard D; Fisher, Matthew; Furic, Ivan-Kresimir; Hugon, Justin; Konigsberg, Jacobo; Korytov, Andrey; Kypreos, Theodore; Low, Jia Fu; Matchev, Konstantin; Milenovic, Predrag; Mitselmakher, Guenakh; Muniz, Lana; Rinkevicius, Aurelijus; Shchutska, Lesya; Snowball, Matthew; Sperka, David; Yelton, John; Zakaria, Mohammed; Hewamanage, Samantha; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Adams, Todd; Askew, Andrew; Bochenek, Joseph; Diamond, Brendan; Haas, Jeff; Hagopian, Sharon; Hagopian, Vasken; Johnson, Kurtis F; Prosper, Harrison; Veeraraghavan, Venkatesh; Weinberg, Marc; Baarmand, Marc M; Hohlmann, Marcus; Kalakhety, Himali; Yumiceva, Francisco; Adams, Mark Raymond; Apanasevich, Leonard; Bazterra, Victor Eduardo; Berry, Douglas; Betts, Russell Richard; Bucinskaite, Inga; Cavanaugh, Richard; Evdokimov, Olga; Gauthier, Lucie; Gerber, Cecilia Elena; Hofman, David Jonathan; Khalatyan, Samvel; Kurt, Pelin; Moon, Dong Ho; O'Brien, Christine; Silkworth, Christopher; Turner, Paul; Varelas, Nikos; Albayrak, Elif Asli; Bilki, Burak; Clarida, Warren; Dilsiz, Kamuran; Duru, Firdevs; Haytmyradov, Maksat; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Ogul, Hasan; Onel, Yasar; Ozok, Ferhat; Penzo, Aldo; Rahmat, Rahmat; Sen, Sercan; Tan, Ping; Tiras, Emrah; Wetzel, James; Yetkin, Taylan; Yi, Kai; Barnett, Bruce Arnold; Blumenfeld, Barry; Bolognesi, Sara; Fehling, David; Gritsan, Andrei; Maksimovic, Petar; Martin, Christopher; Swartz, Morris; Baringer, Philip; Bean, Alice; Benelli, Gabriele; Bruner, Christopher; Kenny III, Raymond Patrick; Malek, Magdalena; Murray, Michael; Noonan, Daniel; Sanders, Stephen; Sekaric, Jadranka; Stringer, Robert; Wang, Quan; Wood, Jeffrey Scott; Chakaberia, Irakli; Ivanov, Andrew; Khalil, Sadia; Makouski, Mikhail; Maravin, Yurii; Saini, Lovedeep Kaur; Shrestha, Shruti; Skhirtladze, Nikoloz; Svintradze, Irakli; Gronberg, Jeffrey; Lange, David; Rebassoo, Finn; Wright, Douglas; Baden, Drew; Belloni, Alberto; Calvert, Brian; Eno, Sarah Catherine; Gomez, Jaime; Hadley, Nicholas John; Kellogg, Richard G; Kolberg, Ted; Lu, Ying; Marionneau, Matthieu; Mignerey, Alice; Pedro, Kevin; Skuja, Andris; Tonjes, Marguerite; Tonwar, Suresh C; Apyan, Aram; Barbieri, Richard; Bauer, Gerry; Busza, Wit; Cali, Ivan Amos; Chan, Matthew; Di Matteo, Leonardo; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Gulhan, Doga; Klute, Markus; Lai, Yue Shi; Lee, Yen-Jie; Levin, Andrew; Luckey, Paul David; Ma, Teng; Paus, Christoph; Ralph, Duncan; Roland, Christof; Roland, Gunther; Stephans, George; Stöckli, Fabian; Sumorok, Konstanty; Velicanu, Dragos; Veverka, Jan; Wyslouch, Bolek; Yang, Mingming; Zanetti, Marco; Zhukova, Victoria; Dahmes, Bryan; Gude, Alexander; Kao, Shih-Chuan; Klapoetke, Kevin; Kubota, Yuichi; Mans, Jeremy; Pastika, Nathaniel; Rusack, Roger; Singovsky, Alexander; Tambe, Norbert; Turkewitz, Jared; Acosta, John Gabriel; Oliveros, Sandra; Avdeeva, Ekaterina; Bloom, Kenneth; Bose, Suvadeep; Claes, Daniel R; Dominguez, Aaron; Gonzalez Suarez, Rebeca; Keller, Jason; Knowlton, Dan; Kravchenko, Ilya; Lazo-Flores, Jose; Malik, Sudhir; Meier, Frank; Snow, Gregory R; Zvada, Marian; Dolen, James; Godshalk, Andrew; Iashvili, Ia; Kharchilava, Avto; Kumar, Ashish; Rappoccio, Salvatore; Alverson, George; Barberis, Emanuela; Baumgartel, Darin; Chasco, Matthew; Haley, Joseph; Massironi, Andrea; Morse, David Michael; Nash, David; Orimoto, Toyoko; Trocino, Daniele; Wang, Ren-Jie; Wood, Darien; Zhang, Jinzhong; Hahn, Kristan Allan; Kubik, Andrew; Mucia, Nicholas; Odell, Nathaniel; Pollack, Brian; Pozdnyakov, Andrey; Schmitt, Michael Henry; Stoynev, Stoyan; Sung, Kevin; Velasco, Mayda; Won, Steven; Brinkerhoff, Andrew; Chan, Kwok Ming; Drozdetskiy, Alexey; Hildreth, Michael; Jessop, Colin; Karmgard, Daniel John; Kellams, Nathan; Lannon, Kevin; Luo, Wuming; Lynch, Sean; Marinelli, Nancy; Pearson, Tessa; Planer, Michael; Ruchti, Randy; Valls, Nil; Wayne, Mitchell; Wolf, Matthias; Woodard, Anna; Antonelli, Louis; Brinson, Jessica; Bylsma, Ben; Durkin, Lloyd Stanley; Flowers, Sean; Hart, Andrew; Hill, Christopher; Hughes, Richard; Kotov, Khristian; Ling, Ta-Yung; Puigh, Darren; Rodenburg, Marissa; Smith, Geoffrey; Winer, Brian L; Wolfe, Homer; Wulsin, Howard Wells; Driga, Olga; Elmer, Peter; Hebda, Philip; Hunt, Adam; Koay, Sue Ann; Lujan, Paul; Marlow, Daniel; Medvedeva, Tatiana; Mooney, Michael; Olsen, James; Piroué, Pierre; Quan, Xiaohang; Saka, Halil; Stickland, David; Tully, Christopher; Werner, Jeremy Scott; Zuranski, Andrzej; Brownson, Eric; Mendez, Hector; Ramirez Vargas, Juan Eduardo; Barnes, Virgil E; Benedetti, Daniele; Bortoletto, Daniela; De Mattia, Marco; Gutay, Laszlo; Hu, Zhen; Jha, Manoj; Jones, Matthew; Jung, Kurt; Kress, Matthew; Leonardo, Nuno; Lopes Pegna, David; Maroussov, Vassili; Miller, David Harry; Neumeister, Norbert; Radburn-Smith, Benjamin Charles; Shi, Xin; Shipsey, Ian; Silvers, David; Svyatkovskiy, Alexey; Wang, Fuqiang; Xie, Wei; Xu, Lingshan; Yoo, Hwi Dong; Zablocki, Jakub; Zheng, Yu; Parashar, Neeti; Stupak, John; Adair, Antony; Akgun, Bora; Ecklund, Karl Matthew; Geurts, Frank JM; Li, Wei; Michlin, Benjamin; Padley, Brian Paul; Redjimi, Radia; Roberts, Jay; Zabel, James; Betchart, Burton; Bodek, Arie; Covarelli, Roberto; de Barbaro, Pawel; Demina, Regina; Eshaq, Yossof; Ferbel, Thomas; Garcia-Bellido, Aran; Goldenzweig, Pablo; Han, Jiyeon; Harel, Amnon; Khukhunaishvili, Aleko; Petrillo, Gianluca; Vishnevskiy, Dmitry; Ciesielski, Robert; Demortier, Luc; Goulianos, Konstantin; Lungu, Gheorghe; Mesropian, Christina; Arora, Sanjay; Barker, Anthony; Chou, John Paul; Contreras-Campana, Christian; Contreras-Campana, Emmanuel; Duggan, Daniel; Ferencek, Dinko; Gershtein, Yuri; Gray, Richard; Halkiadakis, Eva; Hidas, Dean; Kaplan, Steven; Lath, Amitabh; Panwalkar, Shruti; Park, Michael; Patel, Rishi; Salur, Sevil; Schnetzer, Steve; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Thomassen, Peter; Walker, Matthew; Rose, Keith; Spanier, Stefan; York, Andrew; Bouhali, Othmane; Castaneda Hernandez, Alfredo; Eusebi, Ricardo; Flanagan, Will; Gilmore, Jason; Kamon, Teruki; Khotilovich, Vadim; Krutelyov, Vyacheslav; Montalvo, Roy; Osipenkov, Ilya; Pakhotin, Yuriy; Perloff, Alexx; Roe, Jeffrey; Rose, Anthony; Safonov, Alexei; Sakuma, Tai; Suarez, Indara; Tatarinov, Aysen; Akchurin, Nural; Cowden, Christopher; Damgov, Jordan; Dragoiu, Cosmin; Dudero, Phillip Russell; Faulkner, James; Kovitanggoon, Kittikul; Kunori, Shuichi; Lee, Sung Won; Libeiro, Terence; Volobouev, Igor; Appelt, Eric; Delannoy, Andrés G; Greene, Senta; Gurrola, Alfredo; Johns, Willard; Maguire, Charles; Mao, Yaxian; Melo, Andrew; Sharma, Monika; Sheldon, Paul; Snook, Benjamin; Tuo, Shengquan; Velkovska, Julia; Arenton, Michael Wayne; Boutle, Sarah; Cox, Bradley; Francis, Brian; Goodell, Joseph; Hirosky, Robert; Ledovskoy, Alexander; Li, Hengne; Lin, Chuanzhe; Neu, Christopher; Wood, John; Clarke, Christopher; Harr, Robert; Karchin, Paul Edmund; Kottachchi Kankanamge Don, Chamath; Lamichhane, Pramod; Sturdy, Jared; Belknap, Donald; Carlsmith, Duncan; Cepeda, Maria; Dasu, Sridhara; Dodd, Laura; Duric, Senka; Friis, Evan; Hall-Wilton, Richard; Herndon, Matthew; Hervé, Alain; Klabbers, Pamela; Lanaro, Armando; Lazaridis, Christos; Levine, Aaron; Loveless, Richard; Mohapatra, Ajit; Ojalvo, Isabel; Perry, Thomas; Pierro, Giuseppe Antonio; Polese, Giovanni; Ross, Ian; Sarangi, Tapas; Savin, Alexander; Smith, Wesley H; Taylor, Devin; Verwilligen, Piet; Vuosalo, Carl; Woods, Nathaniel

    2015-04-07

    Dimuon and dielectron mass spectra, obtained from data resulting from proton-proton collisions at 8 TeV and recorded by the CMS experiment, are used to search for both narrow resonances and broad deviations from standard model predictions. The data correspond to an integrated luminosity of 20.6 (19.7) fb$^{-1}$ for the dimuon (dielectron) channel. No evidence for non-standard-model physics is observed and 95% confidence level limits are set on parameters from a number of new physics models. The narrow resonance analyses exclude a Sequential Standard Model $\\mathrm{Z'_{SSM}}$ resonance lighter than 2.90 TeV, a superstring-inspired $\\mathrm{Z'_{\\psi}}$ lighter than 2.57 TeV and Randall--Sundrum Kaluza--Klein gravitons with masses below 2.73, 2.35, and 1.27 TeV for couplings of 0.10, 0.05, and 0.01, respectively. A notable feature is that the limits have been calculated in a model-independent way to enable straightforward reinterpretation in any model predicting a resonance structure. The observed events are als...

  7. Classical Trajectories and Quantum Spectra

    Science.gov (United States)

    Mielnik, Bogdan; Reyes, Marco A.

    1996-01-01

    A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

  8. Explanation of earthquake response spectra

    OpenAIRE

    Douglas, John

    2017-01-01

    This is a set of five slides explaining how earthquake response spectra are derived from strong-motion records and simple models of structures and their purpose within seismic design and assessment. It dates from about 2002 and I have used it in various introductory lectures on engineering seismology.

  9. Neutron and photon spectra in LINACs

    International Nuclear Information System (INIS)

    Vega-Carrillo, H.R.; Martínez-Ovalle, S.A.; Lallena, A.M.; Mercado, G.A.; Benites-Rengifo, J.L.

    2012-01-01

    A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10 –6 and 1 MeV. Neutron and the Bremsstrahlung spectra show the same features regardless of the linac voltage. - Highlights: ► With MCNPX code realistic models of two LINACs were built. ► Photon and neutron spectra below the flattening filter and at the isocenter were calculated. ► Neutron spectrum at the flattening filter was compared against the Tosi et al. source-term model. ► Tosi et al. model underestimates the neutron contribution below 1 MeV. ► Photon spectra look alike to those published in literature.

  10. Nonlinear Modelling of Start-Up Phase Pressure Spectra from Optically Smoothed Induced Spatial Incoherence Laser Imprint

    National Research Council Canada - National Science Library

    Keskinen, M. J; Schmitt, A. J

    2005-01-01

    ...) laser imprint, is computed for a planar target using a forced, dissipative model. The time-dependent ISI laser deposition is computed using a time-dependent electromagnetic full wave Maxwell code...

  11. A method to generate equivalent energy spectra and filtration models based on measurement for multidetector CT Monte Carlo dosimetry simulations

    International Nuclear Information System (INIS)

    Turner, Adam C.; Zhang Di; Kim, Hyun J.; DeMarco, John J.; Cagnon, Chris H.; Angel, Erin; Cody, Dianna D.; Stevens, Donna M.; Primak, Andrew N.; McCollough, Cynthia H.; McNitt-Gray, Michael F.

    2009-01-01

    The purpose of this study was to present a method for generating x-ray source models for performing Monte Carlo (MC) radiation dosimetry simulations of multidetector row CT (MDCT) scanners. These so-called ''equivalent'' source models consist of an energy spectrum and filtration description that are generated based wholly on the measured values and can be used in place of proprietary manufacturer's data for scanner-specific MDCT MC simulations. Required measurements include the half value layers (HVL 1 and HVL 2 ) and the bowtie profile (exposure values across the fan beam) for the MDCT scanner of interest. Using these measured values, a method was described (a) to numerically construct a spectrum with the calculated HVLs approximately equal to those measured (equivalent spectrum) and then (b) to determine a filtration scheme (equivalent filter) that attenuates the equivalent spectrum in a similar fashion as the actual filtration attenuates the actual x-ray beam, as measured by the bowtie profile measurements. Using this method, two types of equivalent source models were generated: One using a spectrum based on both HVL 1 and HVL 2 measurements and its corresponding filtration scheme and the second consisting of a spectrum based only on the measured HVL 1 and its corresponding filtration scheme. Finally, a third type of source model was built based on the spectrum and filtration data provided by the scanner's manufacturer. MC simulations using each of these three source model types were evaluated by comparing the accuracy of multiple CT dose index (CTDI) simulations to measured CTDI values for 64-slice scanners from the four major MDCT manufacturers. Comprehensive evaluations were carried out for each scanner using each kVp and bowtie filter combination available. CTDI experiments were performed for both head (16 cm in diameter) and body (32 cm in diameter) CTDI phantoms using both central and peripheral measurement positions. Both equivalent source model types

  12. Level spectra, electromagnetic moments and transition rates and spectroscopic factors for odd rhodium isotopes in the Coriolis coupling model

    International Nuclear Information System (INIS)

    Bredbacka, A.; Brenner, M.; Malik, F.B.; Aabo Akademi, Turku

    1989-01-01

    Properties of low-lying positive- and negative-parity states of 97,99,101,103,105,107,109 Rh at low excitation energies have been analyzed in terms of a Coriolis coupling model. The model can account for the general trend of the level schemes for states of both parties. In particular, the 9/2, 7/2, and 5/2 triplet near the ground state, the occurrence of multiple 13/2 and at least one 15/2 and 19/2 state of positive parity are reasonably reproduced by the model. Similarly, 1/2 ground-state spin followed by a (3/2, 5/2) doublet, and one or more 13/2 and 17/2 states of negative parity are adequately understood in terms of the model. The calculated electromagnetic dipole and quadrupole moments and magnetic dipole and electric quadrupole transition rates are in broad agreement with the observed ones. This is achieved without the use of any effective charge. The general trend of observed spectroscopic factors for pick-up reactions is in agreement with the calculated ones. The results are presented as a function of deformation. Because of the sparsity of data on many of these isotopes, no attempt has been made to find the best fit for each isotope individually. Since the model can reasonably reproduce the general trend of level schemes, electromagnetic properties and spectroscopic factors, one may conclude that the Coriolis coupling model provides a good description of the nuclear properties of these isotopes. (orig.)

  13. Carbon Nanotubes’ Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

    Directory of Open Access Journals (Sweden)

    Michael González-Durruthy

    2017-11-01

    Full Text Available This study presents the impact of carbon nanotubes (CNTs on mitochondrial oxygen mass flux (Jm under three experimental conditions. New experimental results and a new methodology are reported for the first time and they are based on CNT Raman spectra star graph transform (spectral moments and perturbation theory. The experimental measures of Jm showed that no tested CNT family can inhibit the oxygen consumption profiles of mitochondria. The best model for the prediction of Jm for other CNTs was provided by random forest using eight features, obtaining test R-squared (R2 of 0.863 and test root-mean-square error (RMSE of 0.0461. The results demonstrate the capability of encoding CNT information into spectral moments of the Raman star graphs (SG transform with a potential applicability as predictive tools in nanotechnology and material risk assessments.

  14. Usage of Parameterized Fatigue Spectra and Physics-Based Systems Engineering Models for Wind Turbine Component Sizing: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Parsons, Taylor; Guo, Yi; Veers, Paul; Dykes, Katherine; Damiani, Rick

    2016-01-26

    Software models that use design-level input variables and physics-based engineering analysis for estimating the mass and geometrical properties of components in large-scale machinery can be very useful for analyzing design trade-offs in complex systems. This study uses DriveSE, an OpenMDAO-based drivetrain model that uses stress and deflection criteria to size drivetrain components within a geared, upwind wind turbine. Because a full lifetime fatigue load spectrum can only be defined using computationally-expensive simulations in programs such as FAST, a parameterized fatigue loads spectrum that depends on wind conditions, rotor diameter, and turbine design life has been implemented. The parameterized fatigue spectrum is only used in this paper to demonstrate the proposed fatigue analysis approach. This paper details a three-part investigation of the parameterized approach and a comparison of the DriveSE model with and without fatigue analysis on the main shaft system. It compares loads from three turbines of varying size and determines if and when fatigue governs drivetrain sizing compared to extreme load-driven design. It also investigates the model's sensitivity to shaft material parameters. The intent of this paper is to demonstrate how fatigue considerations in addition to extreme loads can be brought into a system engineering optimization.

  15. Unified one-band Hubbard model for magnetic and electronic spectra of the parent compounds of cuprate superconductors

    Science.gov (United States)

    Dalla Piazza, B.; Mourigal, M.; Guarise, M.; Berger, H.; Schmitt, T.; Zhou, K. J.; Grioni, M.; Rønnow, H. M.

    2012-03-01

    Using low-energy projection of the one-band t-t'-t'' Hubbard model we derive an effective spin Hamiltonian and its spin-wave expansion to order 1/S. We fit the spin-wave dispersion of several parent compounds to the high-temperature superconducting cuprates La2CuO4, Sr2CuO2Cl2, and Bi2Sr2YCu2O8. Our accurate quantitative determination of the one-band Hubbard model parameters allows prediction and comparison to experimental results. Among those we discuss the two-magnon Raman peak line shape, the K-edge resonant inelastic x-ray scattering 500-meV peak, and the high-energy kink in the angle-resolved photoemission spectroscopy quasiparticle dispersion, also known as the waterfall feature.

  16. Model-Atmosphere Spectra of Central Stars of Planetary Nebulae - Access via the Virtual Observatory Service TheoSSA

    Science.gov (United States)

    Rauch, T.; Reindl, N.

    2014-04-01

    In the framework of the Virtual Observatory (VO), the German Astrophysical Virtual Observatory GAVO project provides easy access to theoretical spectral energy distributions (SEDs) within the registered GAVO service TheoSSA (http://dc.g-vo.org/theossa). TheoSSA is based on the well established Tübingen NLTE Model-Atmosphere Package (TMAP) for hot, compact stars. This includes central stars of planetary nebulae. We show examples of TheoSSA in operation.

  17. Theoretical modeling and analysis of the emission spectra of a ChemCam standard: Basalt BIR-1A

    Energy Technology Data Exchange (ETDEWEB)

    Colgan, J. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Judge, E.J. [Chemical Diagnostics and Engineering, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Johns, H.M.; Kilcrease, D.P. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Barefield, J.E. [Chemical Diagnostics and Engineering, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); McInroy, R. [Physical Chemistry and Applied Spectroscopy, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Hakel, P. [Computational Physics Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wiens, R.C. [Space and Remote Sensing Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Clegg, S.M. [Physical Chemistry and Applied Spectroscopy, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2015-08-01

    We report on efforts to perform theoretical modeling of the emission spectrum measured from a basalt sample. We compare our calculations with measurements that were made to provide standards for the ChemCam instrument on the Mars Science Laboratory. We find that to obtain good agreement between modeling and the measurement, it is necessary to determine atomic and ionic level populations via a multi-element approach in which the free electron density that is created influences all the species within the plasma. Calculations that consider each element separately are found to be in poorer agreement with the measured spectrum, indicating that the ‘matrix effect’ term often used to describe the influence of other species on the emission spectrum from a given element is due to the influence of the global electron density of the plasma. We explore the emission features in both the visible and near-infrared wavelength ranges, and also examine radiation transport effects for some of the most intense features found in the basalt spectrum. Finally, we also provide comparisons of the ChemCam measurement with new high-resolution spectral measurements. - Highlights: • LIBS basalt spectrum • Ab-initio theoretical modeling • Discussion of matrix effects • Discussion of radiation transport effects • High-resolution measurements of Basalt.

  18. Application of the Polynomial-Based Least Squares and Total Least Squares Models for the Attenuated Total Reflection Fourier Transform Infrared Spectra of Binary Mixtures of Hydroxyl Compounds.

    Science.gov (United States)

    Shan, Peng; Peng, Silong; Zhao, Yuhui; Tang, Liang

    2016-03-01

    An analysis of binary mixtures of hydroxyl compound by Attenuated Total Reflection Fourier transform infrared spectroscopy (ATR FT-IR) and classical least squares (CLS) yield large model error due to the presence of unmodeled components such as H-bonded components. To accommodate these spectral variations, polynomial-based least squares (LSP) and polynomial-based total least squares (TLSP) are proposed to capture the nonlinear absorbance-concentration relationship. LSP is based on assuming that only absorbance noise exists; while TLSP takes both absorbance noise and concentration noise into consideration. In addition, based on different solving strategy, two optimization algorithms (limited-memory Broyden-Fletcher-Goldfarb-Shanno (LBFGS) algorithm and Levenberg-Marquardt (LM) algorithm) are combined with TLSP and then two different TLSP versions (termed as TLSP-LBFGS and TLSP-LM) are formed. The optimum order of each nonlinear model is determined by cross-validation. Comparison and analyses of the four models are made from two aspects: absorbance prediction and concentration prediction. The results for water-ethanol solution and ethanol-ethyl lactate solution show that LSP, TLSP-LBFGS, and TLSP-LM can, for both absorbance prediction and concentration prediction, obtain smaller root mean square error of prediction than CLS. Additionally, they can also greatly enhance the accuracy of estimated pure component spectra. However, from the view of concentration prediction, the Wilcoxon signed rank test shows that there is no statistically significant difference between each nonlinear model and CLS. © The Author(s) 2016.

  19. A bi-layer model for nondestructive prediction of soluble solids content in apple based on reflectance spectra and peel pigments.

    Science.gov (United States)

    Tian, Xi; Li, Jiangbo; Wang, Qingyan; Fan, Shuxiang; Huang, Wenqian

    2018-01-15

    Hyperspectral imaging technology was used to investigate the effect of various peel colors on soluble solids content (SSC) prediction model and build a SSC model insensitive to the color distribution of apple peel. The SSC and peel pigments were measured, effective wavelengths (EWs) of SSC and pigments were selected from the acquired hyperspectral images of the intact and peeled apple samples, respectively. The effect of pigments on the SSC prediction was studied and optimal SSC EWs were selected from the peel-flesh layers spectra after removing the chlorophyll and anthocyanin EWs. Then, the optimal bi-layer model for SSC prediction was built based on the finally selected optimal SSC EWs. Results showed that the correlation coefficient of prediction, root mean square error of prediction and selected bands of the bi-layer model were 0.9560, 0.2528 and 41, respectively, which will be more acceptable for future online SSC prediction of various colors of apple. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Spectra of Graphs

    NARCIS (Netherlands)

    Brouwer, A.E.; Haemers, W.H.

    2012-01-01

    This book gives an elementary treatment of the basic material about graph spectra, both for ordinary, and Laplace and Seidel spectra. The text progresses systematically, by covering standard topics before presenting some new material on trees, strongly regular graphs, two-graphs, association

  1. Spectra of alkali atoms

    International Nuclear Information System (INIS)

    Santoso, Budi; Arumbinang, Haryono.

    1981-01-01

    Emission spectra of alkali atoms has been determined by using spectrometer at the ultraviolet to infra red waves range. The spectra emission can be obtained by absorption spectrophotometric analysis. Comparative evaluations between experimental data and data handbook obtained by spark method were also presented. (author tr.)

  2. A pseudo-Voigt component model for high-resolution recovery of constituent spectra in Raman spectroscopy

    DEFF Research Database (Denmark)

    Alstrøm, Tommy Sonne; Schmidt, Mikkel Nørgaard; Rindzevicius, Tomas

    2017-01-01

    Raman spectroscopy is a well-known analytical technique for identifying and analyzing chemical species. Since Raman scattering is a weak effect, surface-enhanced Raman spectroscopy (SERS) is often employed to amplify the signal. SERS signal surface mapping is a common method for detecting trace...... to directly and reliably identify the Raman modes, with overall performance similar to the state of the art non-negative matrix factorization approach. However, the model provides better interpretation and is a step towards enabling the use of SERS in detection of trace amounts of molecules in real-life...

  3. Characterization of Titan III-D Acoustic Pressure Spectra by Least-Squares Fit to Theoretical Model

    Science.gov (United States)

    1980-01-01

    P(f) for a set value of P0 and f0" Mhe inverse transform was taken and the result multiplied by a decaying exponential which modelled the envelope of...0 FORWARD TRANSFORM C IF=1 INVERSE TRANSFORM c C M 0 XREAL AND XIMAG RETURNED AS REAL AND IMAG. FOR FORWARD Xr"RM9; C M= " " " MAGNITUDE AND PHASE...34 .. .. C (PHASE IN DEGREE9) C M=2 XREAL RETURNED AS ’PSD’ XIMAG =0. C HERE ’DSD’ MEANS SUM OF N VALUES OF XREAL = MEAN SQU\\Riz OF INPUT C C FOR INVERSE

  4. Testing model energy spectra of charged particles produced in hadron interactions on the basis of atmospheric muons

    International Nuclear Information System (INIS)

    Dedenko, L. G.; Roganova, T. M.; Fedorova, G. F.

    2015-01-01

    An original method for calculating the spectrum of atmospheric muons with the aid of the CORSIKA 7.4 code package and numerical integration is proposed. The first step consists in calculating the energy distribution of muons for various fixed energies of primary-cosmic-ray particles and within several chosen hadron-interaction models included in the CORSIKA 7.4 code package. After that, the spectrum of atmospheric muons is calculated via integrating the resulting distribution densities with the chosen spectrum of primary-cosmic-ray particles. The atmospheric-muon fluxes that were calculated on the basis of the SIBYLL 2.1, QGSJET01, and QGSJET II-04 models exceed the predictions of the wellknown Gaisser approximation of this spectrum by a factor of 1.5 to 1.8 in the range of muon energies between about 10 3 and 10 4 GeV.Under the assumption that, in the region of extremely highmuon energies, a dominant contribution to the muon flux comes from one to two generations of charged π ± and K ± mesons, the production rate calculated for these mesons is overestimated by a factor of 1.3 to 1.5. This conclusion is confirmed by the results of the LHCf and TOTEM experiments

  5. Near IR spectra of symbiotic stars

    International Nuclear Information System (INIS)

    Andrillat, Y.

    1982-01-01

    The author reports on recent observations from the near IR spectra of symbiotic stars. The helium and oxygen lines useful for the construction of theoretical models are identified. Observations for cool stars and novae (nebular phase) are outlined and the spectra of specific symbiotic stars between lambdalambda 8000-11000 are presented and discussed. (Auth./C.F.)

  6. Multiquark colour-hyperfine spectra in the bag model: a survey using the P-matrix formalism

    International Nuclear Information System (INIS)

    Bickerstaff, R.P.

    1982-12-01

    The masses of S-wave q 2 (anti q) 2 , q 4 (anti q) and q 6 multiquark states have been calculated in the M.I.T. bag model after taking proper account of flavour symmetry violations in the single-gluon-exchange magnetic contribution. Mixing induced by the flavour dependence of the colour-magnetic interaction strengths raises some degeneracies and inverts a few levels but does not otherwise greatly affect the masses. However, the mixing does in a few cases result in very substantial changes in the eigenfunctions. These effects are surveyed and the masses and dissociation couplings for the most important states are examined using the P-matrix formalism

  7. Accurate Wavelength Measurements and Modeling of Fe XV to Fe XIX Spectra Recorded in High-Density Plasmas between 13.5 and 17 Å

    Science.gov (United States)

    May, M. J.; Beiersdorfer, P.; Dunn, J.; Jordan, N.; Hansen, S. B.; Osterheld, A. L.; Faenov, A. Ya.; Pikuz, T. A.; Skobelev, I. Yu.; Flora, F.; Bollanti, S.; Di Lazzaro, P.; Murra, D.; Reale, A.; Reale, L.; Tomassetti, G.; Ritucci, A.; Francucci, M.; Martellucci, S.; Petrocelli, G.

    2005-06-01

    Iron spectra have been recorded from plasmas created at three different laser plasma facilities: the Tor Vergata University laser in Rome (Italy), the Hercules laser at ENEA in Frascati (Italy), and the Compact Multipulse Terawatt (COMET) laser at LLNL in California (USA). The measurements provide a means of identifying dielectronic satellite lines from Fe XVI and Fe XV in the vicinity of the strong 2p-->3d transitions of Fe XVII. About 80 Δn>=1 lines of Fe XV (Mg-like) to Fe XIX (O-like) were recorded between 13.8 and 17.1 Å with a high spectral resolution (λ/Δλ~4000) about 30 of these lines are from Fe XVI and Fe XV. The laser-produced plasmas had electron temperatures between 100 and 500 eV and electron densities between 1020 and 1022 cm-3. The Hebrew University Lawrence Livermore Atomic Code (HULLAC) was used to calculate the atomic structure and atomic rates for Fe XV-XIX. HULLAC was used to calculate synthetic line intensities at Te=200 eV and ne=1021 cm-3 for three different conditions to illustrate the role of opacity: optically thin plasmas with no excitation-autoionization/dielectronic recombination (EA/DR) contributions to the line intensities, optically thin plasmas that included EA/DR contributions to the line intensities, and optically thick plasmas (optical depth ~200 μm) that included EA/DR contributions to the line intensities. The optically thick simulation best reproduced the recorded spectrum from the Hercules laser. However, some discrepancies between the modeling and the recorded spectra remain.

  8. Consequences of a description of the nucleon and delta spectra in terms of a non-relativistic quark-potential model with oscillator variational states

    International Nuclear Information System (INIS)

    Harvey, M.

    1984-01-01

    General conditions are derived for matrix elements of a quark-confining potential that is assumed to yield the nucleon and delta spectra with oscillator variational states. Parameters are given for a particular functional form of the confining potential under various fitting criteria to the baryon spectra; this form is to be used in subsequent calculations of the nuclear force. (orig.)

  9. Investigation of an energy-gap model for photoacoustic O2A-band spectra: H2O calibration near 7180 cm−1

    International Nuclear Information System (INIS)

    Vess, E.M.; Anderson, C.N.; Awadalla, V.E.; Estes, E.J.; Jeon, C.; Wallace, C.J.; Hu, X.F.; Havey, D.K.

    2012-01-01

    Highlights: ► We investigate an energy transfer model for photoacoustic measurements of the O 2 A-band. ► We measure the response of a photoacoustic spectrometer for known quantities of H 2 O and O 2 . ► We fit multiple theoretical spectral line profiles to the data. ► We bind the relative uncertainty of the energy transfer model to less than 1%. ► We demonstrate that speed-dependence is an important line shape effect for these experiments. - Abstract: A photoacoustic spectrometer is used to evaluate the accuracy of an energy-gap model for collisional energy transfer. For photoacoustic measurements involving the b 1 Σ g + ←X 3 Σ g - transition of molecular oxygen the conversion of photon energy to thermal energy is inefficient and proceeds through the a 1 Δ g state. This results in attenuation of the photoacoustic signal. The magnitude of the attenuation can be predicted with an energy-gap model whose accuracy has been previously confirmed to within 3 ± 5%. However, this prior result does not rule out incomplete rotational relaxation of O 2 in the a 1 Δ g state. In this study, high-resolution spectra of H 2 O in air are used to calibrate the photoacoustic spectrometer. This work binds the relative uncertainty in the energy-gap relaxation factor for O 2 A-band photoacoustic signals to be approximately 1%. During one acoustic cycle, this result implies negligible collisional relaxation to the X 3 Σ g - state of O 2 and nearly complete collisional relaxation to the a 1 Δ g state.

  10. Evaluation of secondary and prompt fission neutron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Porodzinskij, Yu.V.; Sukhovitskij, E.Sh. [Radiation Physics and Chemistry Problems Inst., Minsk-Sosny (Belarus)

    1997-03-01

    A simple model allowing to split neutron emission spectra into reaction partials is suggested. Predicted spectra of (n,n`{gamma}), (n,n`f), etc appear to be much harder than usually evaluated. (author)

  11. Theoretical microcontact spectra of metal electron-phonon coupling

    International Nuclear Information System (INIS)

    Kulagina, T.N.; Zhernov, A.P.

    1987-01-01

    Theoretical and experimental microcontact spectra of simple and certain transition metals are discussed. The Eliashberg thermodynamic functions for the metals are considered, as well as correlations between spectra peculiarities and parameters of metals and microbridge models

  12. Angular Spectra of Polarized Galactic Foregrounds

    OpenAIRE

    Cho, Jung; Lazarian, A.

    2003-01-01

    It is believed that magnetic field lines are twisted and bend by turbulent motions in the Galaxy. Therefore, both Galactic synchrotron emission and thermal emission from dust reflects statistics of Galactic turbulence. Our simple model of Galactic turbulence, motivated by results of our simulations, predicts that Galactic disk and halo exhibit different angular power spectra. We show that observed angular spectra of synchrotron emission are compatible with our model. We also show that our mod...

  13. Enhancing non-refractory aerosol apportionment from an urban industrial site through receptor modeling of complete high time-resolution aerosol mass spectra

    Science.gov (United States)

    McGuire, M. L.; Chang, R. Y.-W.; Slowik, J. G.; Jeong, C.-H.; Healy, R. M.; Lu, G.; Mihele, C.; Abbatt, J. P. D.; Brook, J. R.; Evans, G. J.

    2014-08-01

    Receptor modeling was performed on quadrupole unit mass resolution aerosol mass spectrometer (Q-AMS) sub-micron particulate matter (PM) chemical speciation measurements from Windsor, Ontario, an industrial city situated across the Detroit River from Detroit, Michigan. Aerosol and trace gas measurements were collected on board Environment Canada's Canadian Regional and Urban Investigation System for Environmental Research (CRUISER) mobile laboratory. Positive matrix factorization (PMF) was performed on the AMS full particle-phase mass spectrum (PMFFull MS) encompassing both organic and inorganic components. This approach compared to the more common method of analyzing only the organic mass spectra (PMFOrg MS). PMF of the full mass spectrum revealed that variability in the non-refractory sub-micron aerosol concentration and composition was best explained by six factors: an amine-containing factor (Amine); an ammonium sulfate- and oxygenated organic aerosol-containing factor (Sulfate-OA); an ammonium nitrate- and oxygenated organic aerosol-containing factor (Nitrate-OA); an ammonium chloride-containing factor (Chloride); a hydrocarbon-like organic aerosol (HOA) factor; and a moderately oxygenated organic aerosol factor (OOA). PMF of the organic mass spectrum revealed three factors of similar composition to some of those revealed through PMFFull MS: Amine, HOA and OOA. Including both the inorganic and organic mass proved to be a beneficial approach to analyzing the unit mass resolution AMS data for several reasons. First, it provided a method for potentially calculating more accurate sub-micron PM mass concentrations, particularly when unusual factors are present, in this case the Amine factor. As this method does not rely on a priori knowledge of chemical species, it circumvents the need for any adjustments to the traditional AMS species fragmentation patterns to account for atypical species, and can thus lead to more complete factor profiles. It is expected that this

  14. Enhancing non-refractory aerosol apportionment from an urban industrial site through receptor modelling of complete high time-resolution aerosol mass spectra

    Science.gov (United States)

    McGuire, M. L.; Chang, R. Y.-W.; Slowik, J. G.; Jeong, C.-H.; Healy, R. M.; Lu, G.; Mihele, C.; Abbatt, J. P. D.; Brook, J. R.; Evans, G. J.

    2014-02-01

    Receptor modelling was performed on quadrupole unit mass resolution aerosol mass spectrometer (Q-AMS) sub-micron particulate matter (PM) chemical speciation measurements from Windsor, Ontario, an industrial city situated across the Detroit River from Detroit, Michigan. Aerosol and trace gas measurements were collected on board Environment Canada's CRUISER mobile laboratory. Positive matrix factorization (PMF) was performed on the AMS full particle-phase mass spectrum (PMFFull MS) encompassing both organic and inorganic components. This approach was compared to the more common method of analysing only the organic mass spectra (PMFOrg MS). PMF of the full mass spectrum revealed that variability in the non-refractory sub-micron aerosol concentration and composition was best explained by six factors: an amine-containing factor (Amine); an ammonium sulphate and oxygenated organic aerosol containing factor (Sulphate-OA); an ammonium nitrate and oxygenated organic aerosol containing factor (Nitrate-OA); an ammonium chloride containing factor (Chloride); a hydrocarbon-like organic aerosol (HOA) factor; and a moderately oxygenated organic aerosol factor (OOA). PMF of the organic mass spectrum revealed three factors of similar composition to some of those revealed through PMFFull MS: Amine, HOA and OOA. Including both the inorganic and organic mass proved to be a beneficial approach to analysing the unit mass resolution AMS data for several reasons. First, it provided a method for potentially calculating more accurate sub-micron PM mass concentrations, particularly when unusual factors are present, in this case, an Amine factor. As this method does not rely on a priori knowledge of chemical species, it circumvents the need for any adjustments to the traditional AMS species fragmentation patterns to account for atypical species, and can thus lead to more complete factor profiles. It is expected that this method would be even more useful for HR-ToF-AMS data, due to the ability

  15. Solar Energetic Particle Spectra

    Science.gov (United States)

    Ryan, J. M.; Boezio, M.; Bravar, U.; Bruno, A.; Christian, E. R.; de Nolfo, G. A.; Martucci, M.; Mergè, M.; Munini, R.; Ricci, M.; Sparvoli, R.; Stochaj, S.

    2017-12-01

    We report updated event-integrated spectra from several SEP events measured with PAMELA. The measurements were made from 2006 to 2014 in the energy range starting at 80 MeV and extending well above the neutron monitor threshold. The PAMELA instrument is in a high inclination, low Earth orbit and has access to SEPs when at high latitudes. Spectra have been assembled from these high-latitude measurements. The field of view of PAMELA is small and during the high-latitude passes it scans a wide range of asymptotic directions as the spacecraft orbits. Correcting for data gaps, solid angle effects and improved background corrections, we have compiled event-integrated intensity spectra for twenty-eight SEP events. Where statistics permit, the spectra exhibit power law shapes in energy with a high-energy exponential roll over. The events analyzed include two genuine ground level enhancements (GLE). In those cases the roll-over energy lies above the neutron monitor threshold ( 1 GV) while the others are lower. We see no qualitative difference between the spectra of GLE vs. non-GLE events, i.e., all roll over in an exponential fashion with rapidly decreasing intensity at high energies.

  16. Quantum chemical protocols for modeling reactions and spectra in astrophysical ice analogs: the challenging case of the C⁺ + H₂O reaction in icy grain mantles.

    Science.gov (United States)

    Woon, David E

    2015-11-21

    Icy grain mantles that accrete on refractory dust particles in the very cold interstellar medium or beyond the snow line in protoplanetary disks serve as minute incubators for heterogeneous chemistry. Ice mantle chemistry can differ significantly from the gas phase chemistry that occurs in these environments and is often richer. Modeling ices and their chemistry is a challenging task for quantum theoretical methods, but theory promises insight into these systems that is difficult to attain with experiments. Density functional theory (DFT) is predominately employed for modeling reactions in icy grain mantles due to its favorable scalability, but DFT has limitations that risk undercutting its reliability for this task. In this work, basic protocols are proposed for identifying the degree to which DFT methods are able to reproduce experimental or higher level theoretical results for the fundamental interactions upon which ice mantle chemistry depends, including both reactive interactions and non-reactive scaffolding interactions. The exemplar of this study is the reaction of C(+) with H2O, where substantial methodological differences are found in the prediction of gas phase relative energetics for stationary points (about 10 kcal mol(-1) for the C-O bond energy of the H2OC(+) intermediate), which in turn casts doubt about employing it to treat the C(+) + H2O reaction on an ice surface. However, careful explorations demonstrate that B3LYP with small correlation consistent basis sets performs in a sufficiently reliable manner to justify using it to identify plausible chemical pathways, where the dominant products were found to be neutral HOC and the CO(-) anion plus one and two H3O(+) cations, respectively. Predicted vibrational and electronic spectra are presented that would serve to verify or disconfirm the pathways; the latter were computed with time-dependent DFT. Conclusions are compared with those of a recent similar study by McBride and coworkers (J. Phys. Chem

  17. ACCELERATED FITTING OF STELLAR SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Yuan-Sen; Conroy, Charlie [Harvard–Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Rix, Hans-Walter [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany)

    2016-07-20

    Stellar spectra are often modeled and fitted by interpolating within a rectilinear grid of synthetic spectra to derive the stars’ labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of labels separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach—Convex Hull Adaptive Tessellation (chat)—which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock data sets demonstrate that chat can reduce the number of required synthetic model calculations by three orders of magnitude in an eight-dimensional label space. The reduction will be even larger for higher dimensional label spaces. In chat the computational effort increases only linearly with the number of labels that are fit simultaneously. Around each of these grid points in the label space an approximate synthetic spectrum can be generated through linear expansion using a set of “gradient spectra” that represent flux derivatives at every wavelength point with respect to all labels. These techniques provide new opportunities to fit the full stellar spectra from large surveys with 15–30 labels simultaneously.

  18. Parameterization of rotational spectra

    International Nuclear Information System (INIS)

    Zhou Chunmei; Liu Tong

    1992-01-01

    The rotational spectra of the strongly deformed nuclei with low rotational frequencies and weak band mixture are analyzed. The strongly deformed nuclei are commonly encountered in the rare-earth region (e. g., 150 220). A lot of rotational band knowledge are presented

  19. Atomic Spectra Database (ASD)

    Science.gov (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  20. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE. MODQKE was written to modify or provide new histories with special attention paid to short seismic records. A technique from the open literature was borrowed to generate an initial history that approximates a given response spectrum. Further refinement is done with smoothing cycles in which several correction signals are added to the history in a way that produces a least squares fit between actual and prescribed spectra. Provision is made for history shaping, a baseline correction, and final scaling. MODQKE performance has been demonstrated with seven examples having zero to ten percent damping ratios, and 2.5 seconds to 20 seconds durations and a variety of target spectra. The examples show the program is inexpensive to use. MDOF is a simple modal superposition program. It has no eigensolver, and the user supplies mode shapes, frequencies, and participation factors as input. Floor spectra can be generated from design spectra by using a history from MODQKE that conforms to the design spectrum as input to MDOF. Floor motions from MDOF can be fed back to MODQKE without modification to obtain the floor spectra. A simple example is given to show how equipment mass effects can be incorporated into the MDOF solution. Any transient solution capability can be used to replace MDOF. For example, a direct transient approach may be desirable if both the equipment and floor structures are to be included in the model with different damping fractions. (orig./HP)

  1. Backbending feature of rotational spectra in the generalized variable-moment-of-inertia model and its equivalence with the Harris model

    International Nuclear Information System (INIS)

    Mantri, A.N.

    1975-01-01

    The equivalence of Harris model equations with those of the generalized variable-moment-of-inertia (GVMI) model given by Das et al. is examined in the light of backbending feature of the rotational states. It is shown that this feature is absent in the Harris model taken to any order. The GVMI model equations are found to be consistent and in one-to-one correspondence with an expansion of the square of the angular velocity in terms of a polynomial in the moment of inertia rather than with the Harris expansion and may give a backbending feature in some cases depending on the relative values of the parameters appearing in the potential energy term

  2. Statistical properties of Fermi GBM GRBs' spectra

    Science.gov (United States)

    Rácz, István I.; Balázs, Lajos G.; Horvath, Istvan; Tóth, L. Viktor; Bagoly, Zsolt

    2018-03-01

    Statistical studies of gamma-ray burst (GRB) spectra may result in important information on the physics of GRBs. The Fermi GBM catalogue contains GRB parameters (peak energy, spectral indices, and intensity) estimated fitting the gamma-ray spectral energy distribution of the total emission (fluence, flnc), and during the time of the peak flux (pflx). Using contingency tables, we studied the relationship of the models best-fitting pflx and flnc time intervals. Our analysis revealed an ordering of the spectra into a power law - Comptonized - smoothly broken power law - Band series. This result was further supported by a correspondence analysis of the pflx and flnc spectra categorical variables. We performed a linear discriminant analysis (LDA) to find a relationship between categorical (spectral) and model independent physical data. LDA resulted in highly significant physical differences among the spectral types, that is more pronounced in the case of the pflx spectra, than for the flnc spectra. We interpreted this difference as caused by the temporal variation of the spectrum during the outburst. This spectral variability is confirmed by the differences in the low-energy spectral index and peak energy, between the pflx and flnc spectra. We found that the synchrotron radiation is significant in GBM spectra. The mean low-energy spectral index is close to the canonical value of α = -2/3 during the peak flux. However, α is ˜ -0.9 for the spectra of the fluences. We interpret this difference as showing that the effect of cooling is important only for the fluence spectra.

  3. Ultraviolet spectra of Mg in liquid helium

    International Nuclear Information System (INIS)

    Moriwaki, Y.; Morita, N.

    1999-01-01

    Emission and absorption spectra of Mg atoms implanted in liquid helium have been observed in the ultraviolet region. We have presented a model of exciplex formation of Mg-He 10 and found that this model is more suitable for understanding the dynamics in the 3s3p 1 P→3s 21 S transition than the bubble model. (orig.)

  4. Multiscale climate emulator of multimodal wave spectra: MUSCLE-spectra

    Science.gov (United States)

    Rueda, Ana; Hegermiller, Christie A.; Antolinez, Jose A. A.; Camus, Paula; Vitousek, Sean; Ruggiero, Peter; Barnard, Patrick L.; Erikson, Li H.; Tomás, Antonio; Mendez, Fernando J.

    2017-02-01

    Characterization of multimodal directional wave spectra is important for many offshore and coastal applications, such as marine forecasting, coastal hazard assessment, and design of offshore wave energy farms and coastal structures. However, the multivariate and multiscale nature of wave climate variability makes this complex problem tractable using computationally expensive numerical models. So far, the skill of statistical-downscaling model-based parametric (unimodal) wave conditions is limited in large ocean basins such as the Pacific. The recent availability of long-term directional spectral data from buoys and wave hindcast models allows for development of stochastic models that include multimodal sea-state parameters. This work introduces a statistical downscaling framework based on weather types to predict multimodal wave spectra (e.g., significant wave height, mean wave period, and mean wave direction from different storm systems, including sea and swells) from large-scale atmospheric pressure fields. For each weather type, variables of interest are modeled using the categorical distribution for the sea-state type, the Generalized Extreme Value (GEV) distribution for wave height and wave period, a multivariate Gaussian copula for the interdependence between variables, and a Markov chain model for the chronology of daily weather types. We apply the model to the southern California coast, where local seas and swells from both the Northern and Southern Hemispheres contribute to the multimodal wave spectrum. This work allows attribution of particular extreme multimodal wave events to specific atmospheric conditions, expanding knowledge of time-dependent, climate-driven offshore and coastal sea-state conditions that have a significant influence on local nearshore processes, coastal morphology, and flood hazards.

  5. Development of program package for investigation and modeling of carbon nanostructures in diamond like carbon films with the help of Raman scattering and infrared absorption spectra line resolving

    Science.gov (United States)

    Hayrapetyan, David B.; Hovhannisyan, Levon; Mantashyan, Paytsar A.

    2013-04-01

    The analysis of complex spectra is an actual problem for modern science. The work is devoted to the creation of a software package, which analyzes spectrum in the different formats, possesses by dynamic knowledge database and self-study mechanism, performs automated analysis of the spectra compound based on knowledge database by application of certain algorithms. In the software package as searching systems, hyper-spherical random search algorithms, gradient algorithms and genetic searching algorithms were used. The analysis of Raman and IR spectrum of diamond-like carbon (DLC) samples were performed by elaborated program. After processing the data, the program immediately displays all the calculated parameters of DLC.

  6. Carbon Dioxide and Water Vapor Concentrations, Co-spectra and Fluxes from Latest Standardized Automated CO2/H2O Flux Systems versus Established Analyzer Models

    Science.gov (United States)

    Burba, G. G.; Kathilankal, J. C.; Begashaw, I.; Franzen, D.; Welles, J.; McDermitt, D. K.

    2017-12-01

    Spatial and temporal flux data coverage have improved significantly in recent years, due to standardization, automation and management of data collection, and better handling of the generated data. With more stations and networks, larger data streams from each station, and smaller operating budgets, modern tools are required to effectively and efficiently handle the entire process.These tools should produce standardized verifiable datasets, and provide a way to cross-share the standardized data with external collaborators to leverage available funding, and promote data analyses and publications. In 2015, new open-path and enclosed flux measurement systems1 were developed, based on established gas analyzer models2,3, with the goal of improving stability in the presence of contamination, refining temperature control and compensation, and providing more accurate gas concentration measurements. In 2017, the new open-path system was further refined to simplify hardware configuration, and to reduce power consumption and cost. Additionally, all new systems incorporate complete automated on-site flux calculations using EddyPro® Software4 run by a weatherized remotely-accessible microcomputer to provide standardized traceable data sets for fluxes and supporting variables. This presentation will describe details and results from the field tests of the new flux systems, in comparison to older models and reference instruments. References:1 Burba G., W. Miller, I. Begashaw, G. Fratini, F. Griessbaum, J. Kathilankal, L. Xu, D. Franz, E. Joseph, E. Larmanou, S. Miller, D. Papale, S. Sabbatini, T. Sachs, R. Sakai, D. McDermitt, 2017. Comparison of CO2 Concentrations, Co-spectra and Flux Measurements between Latest Standardized Automated CO2/H2O Flux Systems and Older Gas Analysers. 10th ICDC Conference, Switzerland: 21-25/08 2 Metzger, S., G. Burba, S. Burns, P. Blanken, J. Li, H. Luo, R. Zulueta, 2016. Optimization of an enclosed gas analyzer sampling system for measuring eddy

  7. Wavelet spectra of JACEE events

    International Nuclear Information System (INIS)

    Suzuki, Naomichi; Biyajima, Minoru; Ohsawa, Akinori.

    1995-01-01

    Pseudo-rapidity distributions of two high multiplicity events Ca-C and Si-AgBr observed by the JACEE are analyzed by a wavelet transform. Wavelet spectra of those events are calculated and compared with the simulation calculations. The wavelet spectrum of the Ca-C event somewhat resembles that simulated with the uniform random numbers. That of Si-AgBr event, however, is not reproduced by simulation calculations with Poisson random numbers, uniform random numbers, or a p-model. (author)

  8. GEANT4 hadronic cascade models analysis of proton and charged pion transverse momentum spectra from p plus Cu and Pb collisions at 3, 8, and 15 GeV/c

    CERN Document Server

    Abdel-Waged, Khaled; Uzhinskii, V V

    2011-01-01

    We describe how various hadronic cascade models, which are implemented in the GEANT4 toolkit, describe proton and charged pion transverse momentum spectra from p + Cu and Pb collisions at 3, 8, and 15 GeV/c, recently measured in the hadron production (HARP) experiment at CERN. The Binary, ultrarelativistic quantum molecular dynamics (UrQMD) and modified FRITIOF (FTF) hadronic cascade models are chosen for investigation. The first two models are based on limited (Binary) and branched (UrQMD) binary scattering between cascade particles which can be either a baryon or meson, in the three-dimensional space of the nucleus, while the latter (FTF) considers collective interactions between nucleons only, on the plane of impact parameter. It is found that the slow (p(T) 0.3 GeV/c) proton spectra are not strongly affected by the differences between the FTF and UrQMD models. It is also shown that the UrQMD and FTF combined with Binary (FTFB) models could reproduce both proton and charged pion spectra from p + Cu and Pb...

  9. X-ray absorption spectra and emission spectra of plasmas

    International Nuclear Information System (INIS)

    Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

    2002-01-01

    The author reports a theoretical method to calculate the resolved absorption spectra and emission spectra (optically thin) of hot dense plasmas. Due to its fully relativistic treatment incorporated with the quantum defect theory, it calculates the absorption spectra and emission spectra for single element or multi-element plasmas with little computational efforts. The calculated absorption spectra of LTE gold plasmas agree well with the experimental ones. It also calculates the optical thin emission spectra of LTE gold plasmas, which is helpful to diagnose the plasmas of relevant ICF plasmas. It can also provide the relevant parameters such as population density of various ionic stages, precise radiative properties for ICF studies

  10. Lattice vibration spectra. 16

    International Nuclear Information System (INIS)

    Lutz, H.D.; Willich, P.

    1977-01-01

    The FIR absorption spectra of pyrite type compounds RuS 2 , RuSsub(2-x)Sesub(x), RuSe 2 , RuTe 2 , OsS 2 , OsSe 2 , and PtP 2 as well as loellingite type phosphides FeP 2 , RuP 2 , and OsP 2 are reported. For RuS 2 , RuSe 2 , RuTe 2 , OsS 2 , and PtP 2 all of the five infrared allowed modes (k = 0) are observed. As a first result of a numerical normal coordinate treatment vibration forms of pyrite structure are communicated. The spectra show that lattice forces of corresponding sulfides, tellurides, and phosphides are about the same strength, but increase strongly by substitution of iron by ruthenium and especially of ruthenium by osmium. The lattice constants of the RuSsub(2-x)Sesub(x) solid solution obey Vegard's rule. (author)

  11. Deconvoluting double Doppler spectra

    International Nuclear Information System (INIS)

    Ho, K.F.; Beling, C.D.; Fung, S.; Chan, K.L.; Tang, H.W.

    2001-01-01

    The successful deconvolution of data from double Doppler broadening of annihilation radiation (D-DBAR) spectroscopy is a promising area of endeavour aimed at producing momentum distributions of a quality comparable to those of the angular correlation technique. The deconvolution procedure we test in the present study is the constrained generalized least square method. Trials with computer simulated DDBAR spectra are generated and deconvoluted in order to find the best form of regularizer and the regularization parameter. For these trials the Neumann (reflective) boundary condition is used to give a single matrix operation in Fourier space. Experimental D-DBAR spectra are also subject to the same type of deconvolution after having carried out a background subtraction and using a symmetrize resolution function obtained from an 85 Sr source with wide coincidence windows. (orig.)

  12. Spectra, Winter 2014

    Science.gov (United States)

    2014-01-01

    additional copies or more information, please email spectra@nrl.navy.mil. LEADINGEDGE 1 Contents 30 Navy Launches UAV from Submerged Submarine 31... multitasking have become mainstream concerns. For example, the New York Times in 2005 and Time magazine in 2006 both reported stories about...interruptions and multitasking , and how they affect performance by increasing human er- ror. In 2005, the information technol- ogy research firm Basex

  13. Thermoluminescence spectra of amethyst

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Q. [Suzhou Railway Teachers College (China). Dept. of Physics; Yang, B. [Beijing Normal University (China). Dept. of Physics; Wood, R.A.; White, D.R.R.; Townsend, P.D.; Luff, B.J. [Sussex Univ., Brighton (United Kingdom). School of Mathematical and Physical Sciences

    1994-04-01

    Thermoluminescence and cathodoluminescence data from natural and synthetic amethyst and synthetic quartz samples are compared. The spectra include features from the quartz host lattice and from impurity-generated recombination sites. Emission features exist throughout the wavelength range studied, 250-800 nm. The near infrared emission at 740-750 nm appears to be characteristic of the amethyst and is proposed to be due to Fe ion impurity. (Author).

  14. Elimination of interference from water in KBr disk FT-IR spectra of solid biomaterials by chemometrics solved with kinetic modeling

    Science.gov (United States)

    Infrared analysis of proteins and polysaccharides by the well known KBr disk technique is notoriously frustrated and defeated by absorbed water interference in the important amide and hydroxyl regions of spectra. This interference has too often been overlooked or ignored even when the resulting dist...

  15. Auger spectra of alkanes

    International Nuclear Information System (INIS)

    Rye, R.R.; Jennison, D.R.; Houston, J.E.

    1980-01-01

    The gas-phase Auger line shapes of the linear alkanes C 1 through C 6 and of neopentane are presented and analyzed. The general shape of the spectra are characteristic of carbon in a tetrahedral environment with the major feature in all cases occurring at approx.249 eV. The relatively large spectral changes found between methane and ethane results from the direct interaction of the terminal methyl groups in ethane, and the spectra of the higher alkanes are shown to be a composite of contributions from terminal methyl and interior methylene group carbon atoms. Theoretical analysis based on a one-electron approximation is shown to be capable of making a molecular orbital assignment by comparing calculated vertical transitions to features in the Auger spectra of ethane and propane, and, in the case of ethane, of differentiating between the 2 E/sub g/ and 2 A/sub 1g/ assignment of the ground state of (C 2 H 6 ) + . A one-electron based molecular orbital treatment, however, is shown to partially break down in propane and neopentane. Analysis of neopentane and the observed absence of any noticeable major peak energy shift with increasing molecular size (as predicted by the one-electron treatment) suggests that some Auger final states occur in which both valence holes are localized on the same subunit of the molecule

  16. Photon and photoneutron spectra produced in radiotherapy Linacs

    International Nuclear Information System (INIS)

    Vega C, H. R.; Martinez O, S. A.; Benites R, J. L.; Lallena, A. M.

    2011-10-01

    A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10 -6 and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

  17. Photon and photoneutron spectra produced in radiotherapy Linacs

    Energy Technology Data Exchange (ETDEWEB)

    Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Calle Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Martinez O, S. A. [Universidad Pedagogica y Tecnologica de Colombia, Grupo de Fisica Nuclear Aplicada y Simulacion, Av. Central del Norte Km. 1, Via Paipa Tunja, Boyaca (Colombia); Benites R, J. L. [Universidad Autonoma de Nayarit, Postgrado CBAP, Carretera Tepic Compostela Km. 9, Xalisco, Nayarit (Mexico); Lallena, A. M., E-mail: fermineutron@yahoo.com [Universida de Granada, Departamento de Fisica Atomica, Molecular y Nuclear, E-18071 Granada (Spain)

    2011-10-15

    A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10{sup -6} and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

  18. Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

    Science.gov (United States)

    Glowacki, David

    Recently, we outlined an efficient multi-tiered parallel excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground/excited state energies and gradients of large supramolecular complexes in atomistic detail. In this paper, we apply our ab initioexciton framework to the 27 coupled bacteriocholorophyll-a chromophores which make up the LH2 complex, using it to compute linear absorption spectra and short-time, on-the-fly nonadiabatic surface-hopping (SH) dynamics of electronically excited LH2. Our ab initio exciton model includes two key parameters whose values are determined by fitting to experiment: d, which is added to the diagonal elements, corrects for the error in TDDFT vertical excitation energies on a single chromophore; and e, which occurs on the off-diagonal matrix elements, describes the average dielectric screening of the inter-chromophore transition-dipole coupling. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, best-fit values of both d and e were obtained by fitting to the thermally broadened experimental absorption spectrum within the Frank-Condon approximation, providing a linear absorption spectrum that agrees reasonably well with the experimental observations. We follow the nonadiabatic dynamics using surface hopping to construct time-resolved visualizations of the EET dynamics in the sub-picosecond regime following photoexcitation. This provides some qualitative insight into the excitonic energy transfer (EET) that results from atomically resolved vibrational fluctuations of the chromophores. The dynamical picture that emerges is one of rapidly fluctuating eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the underlying chromophore vibrational dynamics. The eigenstate fluctuations arise from disorder in both the diagonal chromophore site energies and the off-diagonal inter

  19. Deconvolution of Positrons' Lifetime spectra

    International Nuclear Information System (INIS)

    Calderin Hidalgo, L.; Ortega Villafuerte, Y.

    1996-01-01

    In this paper, we explain the iterative method previously develop for the deconvolution of Doppler broadening spectra using the mathematical optimization theory. Also, we start the adaptation and application of this method to the deconvolution of positrons' lifetime annihilation spectra

  20. Vibrational spectra of aminoacetonitrile

    International Nuclear Information System (INIS)

    Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.

    1975-01-01

    The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)

  1. GNASH: a preequilibrium, statistical nuclear-model code for calculation of cross sections and emission spectra. [In FORTRAN for CDC 7600

    Energy Technology Data Exchange (ETDEWEB)

    Young, P.G.; Arthur, E.D.

    1977-11-01

    A new multistep Hauser--Feshbach code that includes corrections for preequilibrium effects is described. The code can calculate up to 60 decay reactions (cross sections and energy spectra) in one computation, and thereby provide considerable flexibility for handling processes with complicated reaction chains. Input parameter setup, problem output, and subroutine descriptions are given along with a sample problem calculation. A brief theoretical description is also included. 8 figures, 3 tables.

  2. Raman spectra of SDW superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C. [Condensed Matter Physics Group, Department of Physics, Government Science College, Chatrapur, Orissa 761 020 (India)]. E-mail: gcr@iopb.res.in; Bishoyi, K.C. [P.G. Department of Physics, F.M. College (Autonomous), Balasore, Orissa 756 001 (India); Behera, S.N. [Institute of Physics, Bhubaneswar 751 005 (India)

    2005-03-15

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations.

  3. Raman spectra of SDW superconductors

    International Nuclear Information System (INIS)

    Rout, G.C.; Bishoyi, K.C.; Behera, S.N.

    2005-01-01

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations

  4. Catalogue of neutron spectra

    International Nuclear Information System (INIS)

    Buxerolle, M.; Massoutie, M.; Kurdjian, J.

    1987-09-01

    Neutron dosimetry problems have arisen as a result of developments in the applications of nuclear energy. The largest number of possible irradiation situations has been collected: they are presented in the form of a compilation of 44 neutron spectra. Diagrams show the variations of energy fluence and energy fluence weighted by the dose equivalent/fluence conversion factor, with the logarithm of the corresponding energy. The equivalent dose distributions are presented as percentages for the following energy bins: 0.01 eV/0.5 eV/50 keV/1 MeV/5 MeV/15 MeV. The dose equivalent, the mean energy and the effective energy for the dose equivalent for 1 neutron cm -2 are also given [fr

  5. Background noise spectra of global seismic stations

    Energy Technology Data Exchange (ETDEWEB)

    Wada, M.M.; Claassen, J.P.

    1996-08-01

    Over an extended period of time station noise spectra were collected from various sources for use in estimating the detection and location performance of global networks of seismic stations. As the database of noise spectra enlarged and duplicate entries became available, an effort was mounted to more carefully select station noise spectra while discarding others. This report discusses the methodology and criteria by which the noise spectra were selected. It also identifies and illustrates the station noise spectra which survived the selection process and which currently contribute to the modeling efforts. The resulting catalog of noise statistics not only benefits those who model network performance but also those who wish to select stations on the basis of their noise level as may occur in designing networks or in selecting seismological data for analysis on the basis of station noise level. In view of the various ways by which station noise were estimated by the different contributors, it is advisable that future efforts which predict network performance have available station noise data and spectral estimation methods which are compatible with the statistics underlying seismic noise. This appropriately requires (1) averaging noise over seasonal and/or diurnal cycles, (2) averaging noise over time intervals comparable to those employed by actual detectors, and (3) using logarithmic measures of the noise.

  6. Velocity Spectra in the Unstable Planetary Boundary Layer

    DEFF Research Database (Denmark)

    Højstrup, Jørgen

    1982-01-01

    Models for velocity spectra of all three components in the lower half of the unstable PBL are presented. The model spectra are written as a sum of two parts, nS(n) = A(fi, z/zi)w*2 + B(f, z/zi)u*02, a mixed layer part with a stability dependence, and a surface layer part without stability...

  7. Analysis of neutron spectra and fluxes obtained with cold and thermal moderators at IBR-2 reactor: experimental and computer modeling studies at small-angle scattering YuMO setup

    International Nuclear Information System (INIS)

    Kuklin, A.I.; Rogov, A.D.; Gorshkova, Yu.E.; Kovalev, Yu.S.; Kutuzov, S.A.; Utrobin, P.K.; Rogachev, A.V.; Ivan'kov, O.I.; Solov'ev, D.V.; Gordelij, V.I.

    2011-01-01

    Results of experimental and computer modeling investigations of neutron spectra and fluxes obtained with cold and thermal moderators at the IBR-2 reactor (JINR, Dubna) are presented. The studies are done for small-angle neutron scattering (SANS) spectrometer YuMO (beamline number 4 of the IBR-2). The measurements of neutron spectra for two methane cold moderators are done for the standard configuration of the SANS instrument. The data from both moderators under different conditions of their operation are compared. The ratio of experimentally determined neutron fluxes of cold and thermal moderators at different wavelength is shown. Monte Carlo simulations are done to determine spectra for cold methane and thermal moderators. The results of the calculations of the ratio of neutron fluxes of cold and thermal moderators at different wavelength are demonstrated. In addition, the absorption of neutrons in the air gaps on the way from the moderator to the investigated sample is presented. SANS with the protein apoferritin was done in the case of cold methane as well as a thermal moderator and the data were compared. The perspectives for the use of the cold moderator for a SANS spectrometer at the IBR-2 are discussed. The advantages of the YuMO spectrometer with the thermal moderator with respect to the tested cold moderator are shown

  8. Variations on supersymmetry breaking and neutrino spectra

    International Nuclear Information System (INIS)

    Borzumati, F.; Hamaguchi, K.; Nomura, Y.; Yanagida, T.

    2000-01-01

    The problem of generating light neutrinos within supersymmetric models is discussed. It is shown that the hierarchy of scales induced by supersymmetry breaking can give rise to suppression factors of the correct order of magnitude to produce experimentally allowed neutrino spectra

  9. Design energy spectra for Turkey

    OpenAIRE

    López Almansa, Francisco; Yazgan, Ahmet Utku; Benavent Climent, Amadeo

    2012-01-01

    This work proposes design energy spectra in terms of velocity, derived through linear dynamic analyses on Turkish registers and intended for regions with design peak acceleration 0.3 g or higher. In the long and mid period ranges the analyses are linear, taking profit of the rather insensitivity of the spectra to the structural parameters other than the fundamental period; in the short period range, the spectra are more sensitive to the structural parameters and nonlinear analyses would be re...

  10. Spectra of chemical trees

    International Nuclear Information System (INIS)

    Balasubramanian, K.

    1982-01-01

    A method is developed for obtaining the spectra of trees of NMR and chemical interests. The characteristic polynomials of branched trees can be obtained in terms of the characteristic polynomials of unbranched trees and branches by pruning the tree at the joints. The unbranched trees can also be broken down further until a tree containing just two vertices is obtained. The effectively reduces the order of the secular determinant of the tree used at the beginning to determinants of orders atmost equal to the number of vertices in the branch containing the largest number of vertices. An illustrative example of a NMR graph is given for which the 22 x 22 secular determinant is reduced to determinants of orders atmost 4 x 4 in just the second step of the algorithm. The tree pruning algorithm can be applied even to trees with no symmetry elements and such a factoring can be achieved. Methods developed here can be elegantly used to find if two trees are cospectral and to construct cospectral trees

  11. Sequencing BPS spectra

    Energy Technology Data Exchange (ETDEWEB)

    Gukov, Sergei [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Max-Planck-Institut für Mathematik,Vivatsgasse 7, D-53111 Bonn (Germany); Nawata, Satoshi [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Centre for Quantum Geometry of Moduli Spaces, University of Aarhus,Nordre Ringgade 1, DK-8000 (Denmark); Saberi, Ingmar [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Stošić, Marko [CAMGSD, Departamento de Matemática, Instituto Superior Técnico,Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Mathematical Institute SANU,Knez Mihajlova 36, 11000 Belgrade (Serbia); Sułkowski, Piotr [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Faculty of Physics, University of Warsaw,ul. Pasteura 5, 02-093 Warsaw (Poland)

    2016-03-02

    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel “sliding” property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d N=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

  12. Sequencing BPS spectra

    International Nuclear Information System (INIS)

    Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

    2016-01-01

    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel “sliding” property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d N=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

  13. Analysis of low-intensity scintillation spectra

    International Nuclear Information System (INIS)

    Muravsky, V.; Tolstov, S.A.

    2002-01-01

    The maximum likelihood algorithms for nuclides activities estimation from low intensity scintillation γ-ray spectra have been created. The algorithms treat full energy peaks and Compton parts of spectra, and they are more effective than least squares estimators. The factors that could lead to the bias of activity estimates are taken into account. Theoretical analysis of the problem of choosing the optimal set of initial spectra for the spectrum model to minimize errors of the activities estimation has been carried out for the general case of the N-components with Gaussian or Poisson statistics. The obtained criterion allows to exclude superfluous initial spectra of nuclides from the model. A special calibration procedure for scintillation γ-spectrometers has been developed. This procedure is required for application of the maximum likelihood activity estimators processing all the channels of the scintillation γ-spectrum, including the Compton part. It allows one to take into account the influence of the sample mass density variation. The algorithm for testing the spectrum model adequacy to the processed scintillation spectrum has been developed. The algorithms are realized in Borland Pascal 7 as a library of procedures and functions. The developed library is compatible with Delphi 1.0 and higher versions. It can be used as the algorithmic basis for analysis of highly sensitive scintillation γ- and β-spectrometric devices. (author)

  14. Probabilistic topic modeling for the analysis and classification of genomic sequences

    Science.gov (United States)

    2015-01-01

    Background Studies on genomic sequences for classification and taxonomic identification have a leading role in the biomedical field and in the analysis of biodiversity. These studies are focusing on the so-called barcode genes, representing a well defined region of the whole genome. Recently, alignment-free techniques are gaining more importance because they are able to overcome the drawbacks of sequence alignment techniques. In this paper a new alignment-free method for DNA sequences clustering and classification is proposed. The method is based on k-mers representation and text mining techniques. Methods The presented method is based on Probabilistic Topic Modeling, a statistical technique originally proposed for text documents. Probabilistic topic models are able to find in a document corpus the topics (recurrent themes) characterizing classes of documents. This technique, applied on DNA sequences representing the documents, exploits the frequency of fixed-length k-mers and builds a generative model for a training group of sequences. This generative model, obtained through the Latent Dirichlet Allocation (LDA) algorithm, is then used to classify a large set of genomic sequences. Results and conclusions We performed classification of over 7000 16S DNA barcode sequences taken from Ribosomal Database Project (RDP) repository, training probabilistic topic models. The proposed method is compared to the RDP tool and Support Vector Machine (SVM) classification algorithm in a extensive set of trials using both complete sequences and short sequence snippets (from 400 bp to 25 bp). Our method reaches very similar results to RDP classifier and SVM for complete sequences. The most interesting results are obtained when short sequence snippets are considered. In these conditions the proposed method outperforms RDP and SVM with ultra short sequences and it exhibits a smooth decrease of performance, at every taxonomic level, when the sequence length is decreased. PMID:25916734

  15. Predicting transmittance spectra of electrophotographic color prints

    Science.gov (United States)

    Mourad, Safer; Emmel, Patrick; Hersch, Roger D.

    2000-12-01

    For dry toner electrophotographic color printers, we present a numerical simulation model describing the color printer responses based on a physical characterization of the different electrophotographic process steps. The proposed model introduces a Cross Transfer Efficiency designed to predict the color transmittance spectra of multi-color prints by taking into account the transfer influence of each deposited color toner layer upon the other layers. The simulation model leads to a better understanding of the factors that have an impact on printing quality. In order to avoid the additional optical non-linearities produced by light reflection on paper, we have limited the present investigation to transparency prints. The proposed model succeeded to predict the transmittance spectra of printed wedges combining two color toner layers with a mean deviation less than CIE-LAB (Delta) E equals 2.5.

  16. Addendum to: Modelling duality between bound and resonant meson spectra by means of free quantum motions on the de Sitter space-time dS{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Kirchbach, M. [Instituto de Fisica, UASLP, San Luis Potosi (Mexico); Compean, C.B. [Instituto Tecnologico de San Luis Potosi, Soledad de Graciano Sanchez (Mexico)

    2017-04-15

    In the article under discussion the analysis of the spectra of the unflavored mesons lead us to some intriguing insights into the possible geometry of space-time outside the causal Minkowski light cone and into the nature of strong interactions. In applying the potential theory concept of geometrization of interactions, we showed that the meson masses are best described by a confining potential composed by the centrifugal barrier on the three-dimensional spherical space, S{sup 3}, and of a charge-dipole potential constructed from the Green function to the S{sup 3} Laplacian. The dipole potential emerged in view of the fact that S{sup 3} does not support single-charges without violation of the Gauss theorem and the superposition principle, thus providing a natural stage for the description of the general phenomenon of confined charge-neutral systems. However, in the original article we did not relate the charge-dipoles on S{sup 3} to the color neutral mesons, and did not express the magnitude of the confining dipole potential in terms of the strong coupling α{sub S} and the number of colors, N{sub c}, the subject of the addendum. To the amount S{sup 3} can be thought of as the unique closed space-like geodesic of a four-dimensional de Sitter space-time, dS{sub 4}, we hypothesized the space-like region outside the causal Einsteinian light cone (it describes virtual processes, among them interactions) as the (1+4)-dimensional subspace of the conformal (2+4) space-time, foliated with dS{sub 4} special relativity for strong interaction processes. The potential designed in this way predicted meson spectra of conformal degeneracy patterns, and in accord with the experimental observations. We now extract the α{sub s} values in the infrared from data on meson masses. The results obtained are compatible with the α{sub s} estimates provided by other approaches. (orig.)

  17. Peakr: simulating solid-state NMR spectra of proteins

    International Nuclear Information System (INIS)

    Schneider, Robert; Odronitz, Florian; Hammesfahr, Bjorn; Hellkamp, Marcel; Kollmar, Martin

    2013-01-01

    When analyzing solid-state nuclear magnetic resonance (NMR) spectra of proteins, assignment of resonances to nuclei and derivation of restraints for 3D structure calculations are challenging and time-consuming processes. Simulated spectra that have been calculated based on, for example, chemical shift predictions and structural models can be of considerable help. Existing solutions are typically limited in the type of experiment they can consider and difficult to adapt to different settings. Here, we present Peakr, a software to simulate solid-state NMR spectra of proteins. It can generate simulated spectra based on numerous common types of internuclear correlations relevant for assignment and structure elucidation, can compare simulated and experimental spectra and produces lists and visualizations useful for analyzing measured spectra. Compared with other solutions, it is fast, versatile and user friendly. (authors)

  18. Observational and theoretical spectra of supernovae

    Science.gov (United States)

    Wheeler, J. Craig; Swartz, Douglas A.; Harkness, Robert P.

    1993-05-01

    Progress in nuclear astrophysics by means of quantitative supernova spectroscopy is discussed with special concentration on type Ia, Ib and Ic and on SN 1987A. Spectral calculations continue to support an exploding C/O white dwarf as the best model of a SN Ia. Deflagration model W7 produces good maximum light spectra of SN Ia and seems to have a better composition distribution compared to delayed detonation models, but proper treatment of opacity remains a problem and the physical basis of SN Ia explosions is still not completely understood. All models for SN Ia predict large quantities of 56Co in the ejecta, but it is not clear that observations confirm this. Although the evolutionary origin of SN Ia remains uncertain, there is recent evidence that transfer of hydrogen in a binary system may be involved, as long suspected. There has been progress in comparing dynamical models with the optical/IR spectra of SN 1987A. The evolution of the [OI] λλ6300, 6364 feature and the presence of strong persistent HeI λ10 830 indicate that both the envelope and core material contribute substantially to the formation of emission lines in the nebular phase and that neither the core nor the envelope can be neglected. Blending with nearby hydrogen lines may affect both of these spectral features, thereby complicating the analysis of the lines. The effects of continuum transfer and photoionization have been included and are under study. The discrepancies between theoretical and observed spectra are due primarily to the one-dimensional hydrodynamic models. The spectral data are not consistent with the high density ``spike'' (in radial coordinate) of the core material that is predicted by all such models. Analysis of the light curves of SN Ib and SN Ic supernovae implies that there are significant differences in their physical properties. Some SN Ib have considerably more ejecta mass than SN Ic events. SN Ib require He-rich atmospheres to produce the observed strong optical lines of

  19. An analysis of the uncertainty in temperature and density estimates from fitting model spectra to data. 1998 summer research program for high school juniors at the University of Rochester's Laboratory for Laser Energetics. Student research reports

    International Nuclear Information System (INIS)

    Schubmehl, M.

    1999-03-01

    Temperature and density histories of direct-drive laser fusion implosions are important to an understanding of the reaction's progress. Such measurements also document phenomena such as preheating of the core and improper compression that can interfere with the thermonuclear reaction. Model x-ray spectra from the non-LTE (local thermodynamic equilibrium) radiation transport post-processor for LILAC have recently been fitted to OMEGA data. The spectrum fitting code reads in a grid of model spectra and uses an iterative weighted least-squares algorithm to perform a fit to experimental data, based on user-input parameter estimates. The purpose of this research was to upgrade the fitting code to compute formal uncertainties on fitted quantities, and to provide temperature and density estimates with error bars. A standard error-analysis process was modified to compute these formal uncertainties from information about the random measurement error in the data. Preliminary tests of the code indicate that the variances it returns are both reasonable and useful

  20. Mapping SOC in a river catchment by integrating laboratory spectra wavelength with remote sensing spectra

    DEFF Research Database (Denmark)

    Peng, Yi; Xiong, Xiong; Knadel, Maria

    There is potential to use soil ·-proximal and remote sensing derived spectra concomitantly to develop soil organic carbon (SOC) models. Yet mixing spectral data from different sources and technologies to improve soil models is still in its infancy. The objective of this study was to incorporate...... soil spectral features indicative of SOC from laboratory visible near-infrared reflectance (vis-NlR) spectra and incorporate them with remote sensing (RS) images to improve predictions of top SOC in the Skjem river catchment, Denmark. The secondary objective was to improve prediction results...

  1. Spectra and neutron dose of an 18 MV Linac using two geometric models of the head; Espectros y dosis por neutrones de un Linac de 18 MV usando dos modelos geometricos del cabezal

    Energy Technology Data Exchange (ETDEWEB)

    Barrera, M. T.; Pino, F.; Barros, H.; Sajo-Bohus, L. [Universidad Simon Bolivar, Laboratorio de Fisica Nuclear, Sartenejas, Baruta 1080-A, Caracas (Venezuela, Bolivarian Republic of); Davila, J. [Fisica Medica C. A., Av. Francisco de Miranda s/n, Los Palos Grandes, 1060 Miranda (Venezuela, Bolivarian Republic of); Salcedo, E. [Centro Medico Docente La Trinidad, Av. de El Haltillo, Caracas (Venezuela, Bolivarian Republic of); Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas, Zac. (Mexico); Benites R, J. L., E-mail: mariate9590@gmail.com [Centro de Cancerologia de Nayarit, Servicio de Seguridad Radiologica, Calz. de la Cruz 118 Sur, 63000 Tepic, Nayarit (Mexico)

    2015-10-15

    Full text: Using the Monte Carlo method, by MCNP5 code, simulations were performed with different source terms and 2 geometric models of the head to obtain spectra in energy, flow and doses of photo-neutrons at different positions on the stretcher and in the radiotherapy room. The simplest model was a spherical shell of tungsten; the second was the complete model of a heterogeneous head of an accelerator Varian ix. In both models Tosi function was used as a source term. In addition, for the second model Sheikh-Bagheri distribution was used for photons and photo-neutrons were generated. Also in both models the radiotherapy room of Gurve group of the Teaching Medical Center La Trinidad was included, which is equipped with an accelerator Varian Clinic 2100. In this Center passive detectors PADC (Cr-39) were irradiated with neutron converters, with 18 MeV photons radiation. The measured neutron flow was compared with that obtained with Monte Carlo calculations. The Monte Carlo flows are similar to those measured at the isocenter. The simplest model underestimates the neutron flow compared with the calculated flows with the heterogeneous model of the head. (Author)

  2. Sensitivity of Cirrus and Mixed-phase Clouds to the Ice Nuclei Spectra in McRAS-AC: Single Column Model Simulations

    Science.gov (United States)

    Betancourt, R. Morales; Lee, D.; Oreopoulos, L.; Sud, Y. C.; Barahona, D.; Nenes, A.

    2012-01-01

    The salient features of mixed-phase and ice clouds in a GCM cloud scheme are examined using the ice formation parameterizations of Liu and Penner (LP) and Barahona and Nenes (BN). The performance of LP and BN ice nucleation parameterizations were assessed in the GEOS-5 AGCM using the McRAS-AC cloud microphysics framework in single column mode. Four dimensional assimilated data from the intensive observation period of ARM TWP-ICE campaign was used to drive the fluxes and lateral forcing. Simulation experiments where established to test the impact of each parameterization in the resulting cloud fields. Three commonly used IN spectra were utilized in the BN parameterization to described the availability of IN for heterogeneous ice nucleation. The results show large similarities in the cirrus cloud regime between all the schemes tested, in which ice crystal concentrations were within a factor of 10 regardless of the parameterization used. In mixed-phase clouds there are some persistent differences in cloud particle number concentration and size, as well as in cloud fraction, ice water mixing ratio, and ice water path. Contact freezing in the simulated mixed-phase clouds contributed to transfer liquid to ice efficiently, so that on average, the clouds were fully glaciated at T approximately 260K, irrespective of the ice nucleation parameterization used. Comparison of simulated ice water path to available satellite derived observations were also performed, finding that all the schemes tested with the BN parameterization predicted 20 average values of IWP within plus or minus 15% of the observations.

  3. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  4. FSFE: Fake Spectra Flux Extractor

    Science.gov (United States)

    Bird, Simeon

    2017-10-01

    The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

  5. Monte Carlo simulation of x-ray spectra in mammography

    Energy Technology Data Exchange (ETDEWEB)

    Ng, K.P. [Department of Optometry and Radiography, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China). E-mail: benngkp at netvigator.com; Kwok, C.S.; Ng, K.P.; Tang, F.H. [Department of Optometry and Radiography, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China)

    2000-05-01

    A model for generating x-ray spectra in mammography is presented. This model used the ITS version 3 Monte Carlo code for simulating the radiation transport. Various target/filter combinations such as tungsten/aluminium, molybdenum/molybdenum, molybdenum/rhodium and rhodium/rhodium were used in the simulation. Both bremsstrahlung and characteristic x-ray production were included in the model. The simulated x-ray emission spectra were compared with two sets of spectra, those of Boone et al (1997 Med. Phys. 24 1863-74) and IPEM report 78. The {chi}{sup 2} test was used for the overall goodness of fit of the spectral data. There is good agreement between the simulated x-ray spectra and the comparison spectra as the test yielded a probability value of nearly 1. When the transmitted x-ray spectra for specific target/filter combinations were generated and compared with a measured molybdenum/rhodium spectrum and spectra generated in IPEM report 78, close agreement is also observed. This was demonstrated by the probability value for the {chi}{sup 2} test being almost 1 for all the cases. However, minor differences between the simulated spectra and the 'standard' ones are observed. (author)

  6. Monte Carlo simulation of x-ray spectra in mammography

    International Nuclear Information System (INIS)

    Ng, K.P.

    2000-01-01

    A model for generating x-ray spectra in mammography is presented. This model used the ITS version 3 Monte Carlo code for simulating the radiation transport. Various target/filter combinations such as tungsten/aluminium, molybdenum/molybdenum, molybdenum/rhodium and rhodium/rhodium were used in the simulation. Both bremsstrahlung and characteristic x-ray production were included in the model. The simulated x-ray emission spectra were compared with two sets of spectra, those of Boone et al (1997 Med. Phys. 24 1863-74) and IPEM report 78. The χ 2 test was used for the overall goodness of fit of the spectral data. There is good agreement between the simulated x-ray spectra and the comparison spectra as the test yielded a probability value of nearly 1. When the transmitted x-ray spectra for specific target/filter combinations were generated and compared with a measured molybdenum/rhodium spectrum and spectra generated in IPEM report 78, close agreement is also observed. This was demonstrated by the probability value for the χ 2 test being almost 1 for all the cases. However, minor differences between the simulated spectra and the 'standard' ones are observed. (author)

  7. Ultraviolet spectra of planetary nebulae

    International Nuclear Information System (INIS)

    Harrington, J.P.; Seaton, M.J.; Adams, S.; Lutz, J.H.

    1982-01-01

    A detailed study of NGC 7662 is based on UV results obtained from 15 IUE spectra and on observations of other workers at optical, IR and radio wavelengths. Improved techniques are used to extract IUE data for an extended source. Relative fluxes in the different apertures which have been used are obtained using the brightness contours of Coleman, Reay and Worswick. There is close agreement between the reddening deduced from the ratios He II (lambda 1640)/(lambda 4686) and (radio)/(Hβ) and the nebular continuum emission observed with the IUE large slots agrees closely with that predicted using absolute radio and Hβ fluxes. The fluxes in nebular emission lines observed with the small slots are smaller than expected from brightness distributions; it is concluded that, for an extended source, the small slots have aperture transmission factors of 0.85 for SWP and 0.46 for LWR. The central star is fainter than has been previously supposed (by more than two magnitudes). The blackbody He II Zanstra temperature of 113 000 K is consistent with the UV colour temperature. Previous work on colour temperatures of central stars is discussed critically. Two models are discussed. (author)

  8. Nuclear Neutrino Spectra in Late Stellar Evolution

    Science.gov (United States)

    Misch, G. Wendell; Sun, Yang; Fuller, George

    2018-05-01

    Neutrinos are the principle carriers of energy in massive stars, beginning from core carbon burning and continuing through core collapse and after the core bounce. In fact, it may be possible to detect neutrinos from nearby pre-supernova stars. Therefore, it is of great interest to understand the neutrino energy spectra from these stars. Leading up to core collapse, beginning around core silicon burning, nuclei become dominant producers of neutrinos, particularly at high neutrino energy, so a systematic study of nuclear neutrino spectra is desirable. We have done such a study, and we present our sd-shell model calculations of nuclear neutrino energy spectra for nuclei in the mass number range A = 21 - 35. Our study includes neutrinos produced by charged lepton capture, charged lepton emission, and neutral current nuclear deexcitation. Previous authors have tabulated the rates of charged current nuclear weak interactions in astrophysical conditions, but the present work expands on this not only by providing neutrino energy spectra, but also by including the heretofore untabulated neutral current de-excitation neutrino pairs.

  9. Heavy components coupling effect on building response spectra generation

    International Nuclear Information System (INIS)

    Liu, T.H.; Johnson, E.R.

    1985-01-01

    This study investigates the dynamic coupling effect on the floor response spectra between the heavy components and the Reactor Interior (R/I) building in a PWR. The following cases were studied: (I) simplified models of one and two lump mass models representing building and heavy components, and (II) actual plant building and heavy component models. Response spectra are developed at building nodes for all models, using time-history analysis methods. Comparisons of response spectra from various models are made to observe the coupling effects. In some cases, this study found that the coupling would reduce the response spectra values in certain frequency regions even if the coupling is not required according to the above criteria. (orig./HP)

  10. Measurement and interpretation of plutonium spectra

    International Nuclear Information System (INIS)

    Blaise, J.; Fred, M.S.; Carnall, W.T.; Crosswhite, H.M.; Crosswhite, H.

    1982-01-01

    The atomic spectroscopic data available for plutonium are among the rickest of any in the periodic system. They include high-resolution grating and Fourier-transform spectra as well as extensive Zeeman and isotope-shift studies. We summarize the present status of the term analysis and cite the configurations that have been identified. A least-squares adjustment of a parametric Hamiltonian for configurations of both Pu I and Pu II has shown that almost all of the expected low levels are now known. The use of a model Hamiltonian applicable to both lanthanide and actinide atomic species has been applied to the low configurations of Pu I and Pu II making use of trends predicted by ab initio calculations. This same model has been used to describe the energy levels of Pu 3+ in LaCl 3 , and an extension has permitted preliminary calculations of the spectra of other valence states

  11. Infrared spectra of mineral species

    CERN Document Server

    Chukanov, Nikita V

    2014-01-01

    This book details more than 3,000 IR spectra of more than 2,000 mineral species collected during last 30 years. It features full descriptions and analytical data of each sample for which IR spectrum was obtained.

  12. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan

    2006-01-01

    The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions...... and spectra for discrete-time and continuous-time (analog) signals are pretty similar. Consequently, we confine the discussion mainly to real discrete-time signals. The Appendix contains detailed definitions and properties of correlation functions and spectra for analog as well as discrete-time signals....... It is possible to define correlation functions and associated spectra for aperiodic, periodic and random signals although the interpretation is different. Moreover, we will discuss correlation functions when mixing these basic signal types. In addition, the note include several examples for the purpose...

  13. Multifractal spectra in shear flows

    Science.gov (United States)

    Keefe, L. R.; Deane, Anil E.

    1989-01-01

    Numerical simulations of three-dimensional homogeneous shear flow and fully developed channel flow, are used to calculate the associated multifractal spectra of the energy dissipation field. Only weak parameterization of the results with the nondimensional shear is found, and this only if the flow has reached its asymptotic development state. Multifractal spectra of these flows coincide with those from experiments only at the range alpha less than 1.

  14. Sequential Analysis of Gamma Spectra

    International Nuclear Information System (INIS)

    Fayez-Hassan, M.; Hella, Kh.M.

    2009-01-01

    This work shows how easy one can deal with a huge number of gamma spectra. The method can be used for radiation monitoring. It is based on the macro feature of the windows XP connected to QBASIC software. The routine was used usefully in generating accurate results free from human errors. One hundred measured gamma spectra were fully analyzed in 10 minutes using our fast and automated method controlling the Genie 2000 gamma acquisition analysis software.

  15. Response spectra in alluvial soils

    International Nuclear Information System (INIS)

    Chandrasekharan, A.R.; Paul, D.K.

    1975-01-01

    For aseismic design of structures, the ground motion data is assumed either in the form of ground acceleration as a function of time or indirectly in the form of response spectra. Though the response spectra approach has limitations like not being applicable for nonlinear problems, it is usually used for structures like nuclear power plants. Fifty accelerograms recorded at alluvial sites have been processed. Since different empirical formulas relating acceleration with magnitude and distance give a wide scatter of values, peak ground acceleration alone cannot be the parameter as is assumed by a number of authors. The spectra corresponding to 5% damping have been normalised with respect to three parameters, namely, peak ground acceleration, peak ground velocity and a nondimensional quantity ad/v 2 . Envelopee of maxima and minima as well as average response spectra has been obtained. A comparison with the USAEC spectra has been made. A relation between ground acceleration, ground velocity and ad/v 2 has been obtained which would nearly give the same magnification of the response. A design response spectra for alluvial soils has been recommended. (author)

  16. A multi-model fusion strategy for multivariate calibration using near and mid-infrared spectra of samples from brewing industry

    Science.gov (United States)

    Tan, Chao; Chen, Hui; Wang, Chao; Zhu, Wanping; Wu, Tong; Diao, Yuanbo

    2013-03-01

    Near and mid-infrared (NIR/MIR) spectroscopy techniques have gained great acceptance in the industry due to their multiple applications and versatility. However, a success of application often depends heavily on the construction of accurate and stable calibration models. For this purpose, a simple multi-model fusion strategy is proposed. It is actually the combination of Kohonen self-organizing map (KSOM), mutual information (MI) and partial least squares (PLSs) and therefore named as KMICPLS. It works as follows: First, the original training set is fed into a KSOM for unsupervised clustering of samples, on which a series of training subsets are constructed. Thereafter, on each of the training subsets, a MI spectrum is calculated and only the variables with higher MI values than the mean value are retained, based on which a candidate PLS model is constructed. Finally, a fixed number of PLS models are selected to produce a consensus model. Two NIR/MIR spectral datasets from brewing industry are used for experiments. The results confirms its superior performance to two reference algorithms, i.e., the conventional PLS and genetic algorithm-PLS (GAPLS). It can build more accurate and stable calibration models without increasing the complexity, and can be generalized to other NIR/MIR applications.

  17. Hadron spectra and quarks

    International Nuclear Information System (INIS)

    Gasiorowicz, S.; Rosner, J.L.

    1982-01-01

    The quark model began as little more than a quantum-number counting device. After a brief period during which quarks only played a symmetry role, serious interest in quark dynamics developed. The marriage of the principle of local gauge invariance and quarks has been astonishingly productive. Although many questions still need to be be answered, there is little doubt that the strong, weak and electroweak interactions of matter are described by gauge theories of interactions of the quarks. This review is focussed on the successes

  18. Models of bright storm clouds and related dark ovals in Saturn's Storm Alley as constrained by 2008 Cassini/VIMS spectra

    Science.gov (United States)

    Sromovsky, L. A.; Baines, K. H.; Fry, P. M.

    2018-03-01

    A 5° latitude band on Saturn centered near planetocentric latitude 36°S is known as "Storm Alley" because it has been for several extended periods a site of frequent lightning activity and associated thunderstorms, first identified by Porco et al. (2005). The thunderstorms appeared as bright clouds at short and long continuum wavelengths, and over a period of a week or so transformed into dark ovals (Dyudina et al., 2007). The ovals were found to be dark over a wide spectral range, which led Baines et al. (2009) to suggest the possibility that a broadband absorber such as soot produced by lightning could play a significant role in darkening the clouds relative to their surroundings. Here we show that an alternative explanation, which is that the clouds are less reflective because of reduced optical depth, provides an excellent fit to near infrared spectra of similar features obtained by the Cassini Visual and Infrared Mapping Spectrometer (VIMS) in 2008, and leads to a plausible scenario for cloud evolution. We find that the background clouds and the oval clouds are both dominated by the optical properties of a ubiquitous upper cloud layer, which has the same particle size in both regions, but about half the optical depth and physical thickness in the dark oval regions. The dark oval regions are also marked by enhanced emissions in the 5-μm window region, a result of lower optical depth of the deep cloud layer near 3.1-3.8 bar, presumably composed of ammonium hydrosulfide (NH4SH). The bright storm clouds completely block this deep thermal emission with a thick layer of ammonia (NH3) clouds extending from the middle of the main visible cloud layer probably as deep as the 1.7-bar NH3 condensation level. Other condensates might also be present at higher pressures, but are obscured by the NH3 cloud. The strong 3-μm spectral absorption that was displayed by Saturn's Great Storm of 2010-2011 (Sromovsky et al., 2013) is weaker in these storms because the contrast is

  19. Accretion flow dynamics during 1999 outburst of XTE J1859+226—modeling of broadband spectra and constraining the source mass

    Science.gov (United States)

    Nandi, Anuj; Mandal, S.; Sreehari, H.; Radhika, D.; Das, Santabrata; Chattopadhyay, I.; Iyer, N.; Agrawal, V. K.; Aktar, R.

    2018-05-01

    We examine the dynamical behavior of accretion flow around XTE J1859+226 during the 1999 outburst by analyzing the entire outburst data (˜166 days) from RXTE Satellite. Towards this, we study the hysteresis behavior in the hardness intensity diagram (HID) based on the broadband (3-150 keV) spectral modeling, spectral signature of jet ejection and the evolution of Quasi-periodic Oscillation (QPO) frequencies using the two-component advective flow model around a black hole. We compute the flow parameters, namely Keplerian accretion rate (\\dot{m}d), sub-Keplerian accretion rate (\\dot{m}h), shock location (rs) and black hole mass (M_{bh}) from the spectral modeling and study their evolution along the q-diagram. Subsequently, the kinetic jet power is computed as L^{obs}_{jet} ˜3-6 ×10^{37} erg s^{-1} during one of the observed radio flares which indicates that jet power corresponds to 8-16% mass outflow rate from the disc. This estimate of mass outflow rate is in close agreement with the change in total accretion rate (˜14%) required for spectral modeling before and during the flare. Finally, we provide a mass estimate of the source XTE J1859+226 based on the spectral modeling that lies in the range of 5.2-7.9 M_{⊙} with 90% confidence.

  20. DNA sequence+shape kernel enables alignment-free modeling of transcription factor binding.

    Science.gov (United States)

    Ma, Wenxiu; Yang, Lin; Rohs, Remo; Noble, William Stafford

    2017-10-01

    Transcription factors (TFs) bind to specific DNA sequence motifs. Several lines of evidence suggest that TF-DNA binding is mediated in part by properties of the local DNA shape: the width of the minor groove, the relative orientations of adjacent base pairs, etc. Several methods have been developed to jointly account for DNA sequence and shape properties in predicting TF binding affinity. However, a limitation of these methods is that they typically require a training set of aligned TF binding sites. We describe a sequence + shape kernel that leverages DNA sequence and shape information to better understand protein-DNA binding preference and affinity. This kernel extends an existing class of k-mer based sequence kernels, based on the recently described di-mismatch kernel. Using three in vitro benchmark datasets, derived from universal protein binding microarrays (uPBMs), genomic context PBMs (gcPBMs) and SELEX-seq data, we demonstrate that incorporating DNA shape information improves our ability to predict protein-DNA binding affinity. In particular, we observe that (i) the k-spectrum + shape model performs better than the classical k-spectrum kernel, particularly for small k values; (ii) the di-mismatch kernel performs better than the k-mer kernel, for larger k; and (iii) the di-mismatch + shape kernel performs better than the di-mismatch kernel for intermediate k values. The software is available at https://bitbucket.org/wenxiu/sequence-shape.git. rohs@usc.edu or william-noble@uw.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

  1. Multidimensional Models of Type Ia Supernova Nebular Spectra: Strong Emission Lines from Stripped Companion Gas Rule Out Classic Single-degenerate Systems

    Science.gov (United States)

    Botyánszki, János; Kasen, Daniel; Plewa, Tomasz

    2018-01-01

    The classic single-degenerate model for the progenitors of Type Ia supernova (SN Ia) predicts that the supernova ejecta should be enriched with solar-like abundance material stripped from the companion star. Spectroscopic observations of normal SNe Ia at late times, however, have not resulted in definite detection of hydrogen. In this Letter, we study line formation in SNe Ia at nebular times using non-LTE spectral modeling. We present, for the first time, multidimensional radiative transfer calculations of SNe Ia with stripped material mixed in the ejecta core, based on hydrodynamical simulations of ejecta–companion interaction. We find that interaction models with main-sequence companions produce significant Hα emission at late times, ruling out these types of binaries being viable progenitors of SNe Ia. We also predict significant He I line emission at optical and near-infrared wavelengths for both hydrogen-rich or helium-rich material, providing an additional observational probe of stripped ejecta. We produce models with reduced stripped masses and find a more stringent mass limit of M st ≲ 1 × 10‑4 M ⊙ of stripped companion material for SN 2011fe.

  2. Some results of the spectra of random Schroedinger operators and their application to random point interaction models in one and three dimensions

    International Nuclear Information System (INIS)

    Kirsch, W.; Martinelli, F.

    1981-01-01

    After the derivation of weak conditions under which the potential for the Schroedinger operator is well defined the authers state an ergodicity assumption of this potential which ensures that the spectrum of this operator is a fixed non random set. Then random point interaction Hamiltonians are considered in this framework. Finally the authors consider a model where for sufficiently small fluctuations around the equilibrium positions a finite number of gaps appears. (HSI)

  3. Quantum mechanics/molecular mechanics modeling of photoelectron spectra: the carbon 1s core-electron binding energies of ethanol-water solutions.

    Science.gov (United States)

    Löytynoja, T; Niskanen, J; Jänkälä, K; Vahtras, O; Rinkevicius, Z; Ågren, H

    2014-11-20

    Using ethanol-water solutions as illustration, we demonstrate the capability of the hybrid quantum mechanics/molecular mechanics (QM/MM) paradigm to simulate core photoelectron spectroscopy: the binding energies and the chemical shifts. An integrated approach with QM/MM binding energy calculations coupled to preceding molecular dynamics sampling is adopted to generate binding energies averaged over the solute-solvent configurations available at a particular temperature and pressure and thus allowing for a statistical assessment with confidence levels for the final binding energies. The results are analyzed in terms of the contributions in the molecular mechanics model-electrostatic, polarization, and van der Waals-with atom or bond granulation of the corresponding MM charge and polarizability force-fields. The role of extramolecular charge transfer screening of the core-hole and explicit hydrogen bonding is studied by extending the QM core to cover the first solvation shell. The results are compared to those obtained from pure electrostatic and polarizable continuum models. Particularly, the dependence of the carbon 1s binding energies with respect to the ethanol concentration is studied. Our results indicate that QM/MM can be used as an all-encompassing model to study photoelectron binding energies and chemical shifts in solvent environments.

  4. Erratum: "Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium, the Chandra Grating Spectra of XTE J1817-330" (2013, Apj, 768, 60)

    Science.gov (United States)

    Gatuzz, E.; Garcia, J.; Mendoza, C.; Kallman, Timothy R.; Witthoeft, Michael C.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

    2013-01-01

    In the published version of this paper, there are some minor inaccuracies in the absorption-line wavelengths listed in Table 4 as a result of a faulty reduction procedure of the Obs6615 spectrum. The shifts have been detected in a comparison with the wavelengths listed for this spectrum in the Chandra Transmission Grating Catalog and Archive (TGCat8). They are due to incorrect centroid positions of the zero-order image in both reductions as determined by the tgdetect utility which, when disentangled, yield the improved line positions of the amended Table 4 given below. It must also be pointed out that other quantitative findings of the original paper: 1. Table 5, p. 9: the column density (NH), ionization parameter, oxygen abundance of the warmabs model and the normalization and photon index of the power-law model; 2. Table 6, p. 9: the hydrogen column density of the warmabs fit; 3. Table 7, p. 9: the present oxygen equivalent widths of XTE J1817-330; and 4. Table 8, p. 10: the present oxygen column densities of XTE J1817-330 derived from both the curve of growth and warmabs model fit have been revised in the new light and are, within the estimated uncertainty ranges, in good accord with the new rendering.

  5. CO-SPATIAL LONG-SLIT UV/OPTICAL SPECTRA OF TEN GALACTIC PLANETARY NEBULAE WITH HST/STIS. II. NEBULAR MODELS, CENTRAL STAR PROPERTIES, AND He+CNO SYNTHESIS

    Energy Technology Data Exchange (ETDEWEB)

    Henry, R. B. C.; Miller, T. R. [Department of Physics and Astronomy, University of Oklahoma, Norman, OK 73019 (United States); Balick, B. [Department of Astronomy, University of Washington, Seattle, WA 98195 (United States); Dufour, R. J. [Department of Space Physics and Astronomy, Rice University, Houston, TX 77251 (United States); Kwitter, K. B. [Department of Astronomy, Williams College, Williamstown, MA 01267 (United States); Shaw, R. A. [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Buell, J. F. [SUNY College of Technology at Alfred, Alfred, NY 14843 (United States); Corradi, R. L. M. [Instituto de Astrofísica de Canarias, E-38200 La Laguna, Tenerife (Spain)

    2015-11-10

    The goal of the present study is twofold. First, we employ new HST/STIS spectra and photoionization modeling techniques to determine the progenitor masses of eight planetary nebulae (IC 2165, IC 3568, NGC 2440, NGC 3242, NGC 5315, NGC 5882, NGC 7662, and PB 6). Second, for the first time we are able to compare each object’s observed nebular abundances of helium, carbon, and nitrogen with abundance predictions of these same elements by a stellar model that is consistent with each object’s progenitor mass. Important results include the following: (1) the mass range of our objects’ central stars matches well with the mass distribution of other central stars of planetary nebulae and white dwarfs; (2) He/H is above solar in all of our objects, in most cases likely due to the predicted effects of first dredge-up; (3) most of our objects show negligible C enrichment, probably because their low masses preclude third dredge-up; (4) C/O versus O/H for our objects appears to be inversely correlated, which is perhaps consistent with the conclusion of theorists that the extent of atmospheric carbon enrichment from first dredge-up is sensitive to a parameter whose value increases as metallicity declines; (5) stellar model predictions of nebular C and N enrichment are consistent with observed abundances for progenitor star masses ≤1.5 M{sub ⊙}. Finally, we present the first published photoionization models of NGC 5315 and NGC 5882.

  6. Benchmarking statistical averaging of spectra with HULLAC

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2008-11-01

    Knowledge of radiative properties of hot plasmas is important for ICF, astrophysics, etc When mid-Z or high-Z elements are present, the spectra are so complex that one commonly uses statistically averaged description of atomic systems [1]. In a recent experiment on Fe[2], performed under controlled conditions, high resolution transmission spectra were obtained. The new version of HULLAC [3] allows the use of the same model with different levels of details/averaging. We will take advantage of this feature to check the effect of averaging with comparison with experiment. [1] A Bar-Shalom, J Oreg, and M Klapisch, J. Quant. Spectros. Rad. Transf. 65, 43 (2000). [2] J. E. Bailey, G. A. Rochau, C. A. Iglesias et al., Phys. Rev. Lett. 99, 265002-4 (2007). [3]. M. Klapisch, M. Busquet, and A. Bar-Shalom, AIP Conference Proceedings 926, 206-15 (2007).

  7. Biological Action Spectra (invited paper)

    International Nuclear Information System (INIS)

    Gruijl, F.R. de

    2000-01-01

    Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

  8. Double photoionisation spectra of molecules

    CERN Document Server

    Eland, John

    2017-01-01

    This book contains spectra of the doubly charged positive ions (dications) of some 75 molecules, including the major constituents of terrestrial and planetary atmospheres and prototypes of major chemical groups. It is intended to be a new resource for research in all areas of molecular spectroscopy involving high energy environments, both terrestrial and extra-terrestrial. All the spectra have been produced by photoionisation using laboratory lamps or synchrotron radiation and have been measured using the magnetic bottle time-of-flight technique by coincidence detection of correlated electron pairs. Full references to published work on the same species are given, though for several molecules these are the first published spectra. Double ionisation energies are listed and discussed in relation to the molecular electronic structure of the molecules. A full introduction to the field of molecular double ionisation is included and the mechanisms by which double photoionisation can occur are examined in detail. A p...

  9. QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Almeida, J.; Morales-Luis, A. B. [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Terlevich, R.; Terlevich, E. [Instituto Nacional de Astrofisica, Optica y Electronica, Tonantzintla, Puebla (Mexico); Cid Fernandes, R., E-mail: jos@iac.es, E-mail: abml@iac.es, E-mail: rjt@ast.cam.ac.uk, E-mail: eterlevi@inaoep.mx, E-mail: cid@astro.ufsc.br [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)

    2012-09-10

    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

  10. The structure of BPS spectra

    Science.gov (United States)

    Longhi, Pietro

    In this thesis we develop and apply novel techniques for analyzing BPS spectra of supersymmetric quantum field theories of class S. By a combination of wall-crossing, spectral networks and quiver methods we explore the BPS spectra of higher rank four-dimensional N = 2 super Yang-Mills, uncovering surprising new phenomena. Focusing on the SU(3) case, we prove the existence of wild BPS spectra in field theory, featuring BPS states of higher spin whose degeneracies grow exponentially with the energy. The occurrence of wild BPS states is surprising because it appears to be in tension with physical expectations on the behavior of the entropy as a function of the energy scale. The solution to this puzzle comes from realizing that the size of wild BPS states grows rapidly with their mass, and carefully analyzing the volume-dependence of the entropy of BPS states. We also find some interesting structures underlying wild BPS spectra, such as a Regge-like relation between the maximal spin of a BPS multiplet and the square of its mass, and the existence of a universal asymptotic distribution of spin-j irreps within a multiplet of given charge. We also extend the spectral networks construction by introducing a refinement in the topological classification of 2d-4d BPS states, and identifying their spin with a topological invariant known as the "writhe of soliton paths". A careful analysis of the 2d-4d wall-crossing behavior of this refined data reveals that it is described by motivic Kontsevich-Soibelman transformations, controlled by the Protected Spin Character, a protected deformation of the BPS index encoding the spin of BPS states. Our construction opens the way for the systematic study of refined BPS spectra in class S theories. We apply it to several examples, including ones featuring wild BPS spectra, where we find an interesting relation between spectral networks and certain functional equations. For class S theories of A 1 type, we derive an alternative technique for

  11. Automatic identification of mass spectra

    International Nuclear Information System (INIS)

    Drabloes, F.

    1992-01-01

    Several approaches to preprocessing and comparison of low resolution mass spectra have been evaluated by various test methods related to library search. It is shown that there is a clear correlation between the nature of any contamination of a spectrum, the basic principle of the transformation or distance measure, and the performance of the identification system. The identification of functionality from low resolution spectra has also been evaluated using several classification methods. It is shown that there is an upper limit to the success of this approach, but also that this can be improved significantly by using a very limited amount of additional information. 10 refs

  12. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua; Gong Jian; Liu Xiaoya

    2006-01-01

    In the investigation of radiation fingerprint comparison, it is found out that some of the popular gamma spectra analysis software have shortcomings, which decrease the radiation fingerprint comparison precision. So a new analysis software is developed for solving the problems. In order to display the advantage of developed program, some typical simulative warhead gamma spectra are analyzed respectively by present software and GAMMAVISION and GENNIE2000. Present software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  13. Ultraviolet spectra of planetary nebulae

    International Nuclear Information System (INIS)

    Adams, S.; Seaton, M.J.

    1982-01-01

    Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen and Barlow 1980; Aitken and Roche 1982). Fluxes in the multiplets [O II] lambda 2470 and C II] lambda 2326 have been measured for the VLE nebula He He 2-131 = HD 138403 using IUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun. (author)

  14. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua

    2006-12-01

    During the investigation of radiation fingerprint comparison, it is found out that the popular gamma spectra analysis softwares are faultful, which decrease the precision of radiation fingerprint comparison. So a new analysis software is development for solving the problems. In order to display the advantage of new program, some typical simulative gamma spectra of radiation source are analyzed respectively by our software and GAMMAVISION and GENNIE2000. The software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  15. Raman spectra studies of dipeptides

    International Nuclear Information System (INIS)

    Blanchard, Simone.

    1977-10-01

    This work deals with the homogenous and heterogeneous dipeptides derived from alanine and glycine, in the solid state or in aqueous solutions, in the zwitterions or chlorhydrates form. The Raman spectra comparative study of these various forms of hydrogenated or deuterated compounds allows to specify some of the attributions which are necessary in the conformational study of the like tripeptides. These compounds contain only one peptidic group; therefore there is no possibility of intramolecular hydrogen bond which caracterise vibrations of non bonded peptidic groups and end groups. Infrared spectra of solid dipeptides will be presented and discussed in the near future [fr

  16. Optical spectra analysis for breast cancer diagnostics

    Science.gov (United States)

    Belkov, S. A.; Kochemasov, G. G.; Lyubynskaya, T. E.; Maslov, N. V.; Nuzhny, A. S.; da Silva, L. B.; Rubenchik, A.

    2011-11-01

    Minimally invasive probe and optical biopsy system based on optical spectra recording and analysis seem to be a promising tool for early diagnostics of breast cancer. Light scattering and absorption spectra are generated continuously as far as the needle-like probe with one emitting and several collecting optical fibers penetrates through the tissues toward to the suspicious area. That allows analyzing not only the state of local site, but also the structure of tissues along the needle trace. The suggested method has the advantages of automated on-line diagnosing and minimal tissue destruction and in parallel with the conventional diagnostic procedures provides the ground for decision-making. 165 medical trials were completed in Nizhny Novgorod Regional Oncology Centre, Russia. Independent diagnoses were the results of fine biopsy and histology. Application of wavelet expansion and clasterization techniques for spectra analysis revealed several main spectral types for malignant and benign tumors. Automatic classification algorithm demonstrated specificity ˜90% and sensitivity ˜91%. Large amount of information, fuzziness in criteria and data noisiness make neural networks to be an attractive analytic tool. The model based on three-layer perceptron was tested over the sample of 29 `cancer' and 29 `non-cancer' cases and demonstrated total separation.

  17. Vibrational spectra of ordered perovskites

    NARCIS (Netherlands)

    Corsmit, A.F.; Hoefdraad, H.E.; Blasse, G.

    1972-01-01

    The vibrational spectra of the molecular M6+O6 (M = Mo, Te, W) group in ordered perovskites of the type Ba2M2+M6+O6 are reported. These groups have symmetry Oh, whereas their site symmetry is also Oh. An assignment of the internal vibrations is presented.

  18. Raman spectra of graphene ribbons

    International Nuclear Information System (INIS)

    Saito, R; Furukawa, M; Dresselhaus, G; Dresselhaus, M S

    2010-01-01

    Raman spectra of graphene nanoribbons with zigzag and armchair edges are calculated within non-resonant Raman theory. Depending on the edge structure and polarization direction of the incident and scattered photon beam relative to the edge direction, a symmetry selection rule for the phonon type appears. These Raman selection rules will be useful for the identification of the edge structure of graphene nanoribbons.

  19. Skyshine spectra of gamma rays

    International Nuclear Information System (INIS)

    Swarup, Janardan

    1980-01-01

    A study of the spectra of gamma photons back-scattered in vertical direction by infinite air above ground (skyshine) is presented. The source for these measurements is a 650 Ci Cobalt-60 point-source and the skyshine spectra are reported for distances from 150 m to 325 m from the source, measured with a 5 cm x 5 cm NaI(Tl) detector collimated with collimators of 12 mm and 20 mm diameter and 5 cm length. These continuous spectra are unfolded with Gold's iterative technique. The photon-spectra so obtained have a distinct line at 72 keV due to multiply-scattered photons. This is an energy where photoelectric and Compton cross-sections for multiply-scattered photons balance each other. The intensity of the line(I) decreases exponentially with distance (d) from the source obeying a relation of the type I = Isub(o)esup(-μd) where μ is called as ''Multiply-Scatter Coefficient'', a constant of the medium which is air in these measurements. This relationship is explained in terms of a halo around the source comprising of multiply-scattered gamma photons, Isub(0) being the intensity of these scattered photons at the location of cobalt-source. A fraction called as ''Back-scattered Fraction'', the ratio of Isub(0) to the number of original photons from the cobalt-source entering the infinite air, is also calculated. It is shown that with a properly calibrated detector system, this fraction can be used to determine the strength of a large gamma source, viz. a nuclear explosion in air, and for mineral prospecting. These conclusions are general and can be applied to any other infinite medium. Some forward-scatter (transmission) spectra of cobalt-60 source through 10 cm of Pb and 2.5 cm of Al are also reported. (auth.)

  20. Secondary graviton spectra and waterfall-like fields

    OpenAIRE

    Giovannini, Massimo

    2010-01-01

    The secondary spectra of the gravitons induced by a waterfall-like field are computed and the general bounds on the spectral energy density of the tensor modes of the geometry are translated into explicit constraints on the amplitude and slope of the waterfall spectrum. The obtained results are compared with the primary gravitational wave spectra of the concordance model and of its neighboring extensions as well as with the direct Ligo/Virgo bounds on stochastic backgrounds of relic gravitons...

  1. Perturbative description of inclusive energy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Lupia, S. [Max-Planck-Institut fuer Physik, Muenchen (Germany). Werner-Heisenberg-Institut

    1996-03-01

    The recent LEP-1.5 data of charged particle inclusive energy spectra are analyzed within the analytical QCD approach based on modified leading log approximation plus local parton hadron duality. The shape, the position of the maximum and the cumulant moments of the inclusive energy spectrum are well described within this model. The sensitivity of the results to the running of the coupling is pointed out. A scaling law for the one-particle invariant density E dn/d{sup 3}p at small momenta is observed, consistently with the predictions of colour coherence in soft gluon bremsstrahlung. (orig.).

  2. Perturbative description of inclusive energy spectra

    International Nuclear Information System (INIS)

    Lupia, S.

    1996-01-01

    The recent LEP-1.5 data of charged particle inclusive energy spectra are analyzed within the analytical QCD approach based on modified leading log approximation plus local parton hadron duality. The shape, the position of the maximum and the cumulant moments of the inclusive energy spectrum are well described within this model. The sensitivity of the results to the running of the coupling is pointed out. A scaling law for the one-particle invariant density E dn/d 3 p at small momenta is observed, consistently with the predictions of colour coherence in soft gluon bremsstrahlung. (orig.)

  3. Multifractal spectra in homogeneous shear flow

    Science.gov (United States)

    Deane, A. E.; Keefe, L. R.

    1988-01-01

    Employing numerical simulations of 3-D homogeneous shear flow, the associated multifractal spectra of the energy dissipation, scalar dissipation and vorticity fields were calculated. The results for (128) cubed simulations of this flow, and those obtained in recent experiments that analyzed 1- and 2-D intersections of atmospheric and laboratory flows, are in some agreement. A two-scale Cantor set model of the energy cascade process which describes the experimental results from 1-D intersections quite well, describes the 3-D results only marginally.

  4. Inelastic response spectra of simple degrading systems

    International Nuclear Information System (INIS)

    Andreaus, U.; Ceradini, G.; D'Asdia, P.; Gaudenzi, P.

    1985-01-01

    Ductility was first stated, for single-degree-of-freedom elastic-perfectly plastic systems as the ratio of maximum to yield displacements. An alternative approach, aimed to reduce design forces for ductile structures and based on the energy dissipated during earthquake allows to obtain more reliable ductility factors even when system restoring characteristics are affected by deterioration during loading history. Inelastic response of SDOF systems has been investigated under seimic excitation, assuming stable and degrading constitutive laws to model their structural behaviour. Energy spectra and ductility requirent diagrams are generated and compared with those of the corresponding elastic-perfectly plastic systems. (orig.)

  5. Vibration spectra of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Bourahla, B; Khater, A; Rafil, O; Tigrine, R

    2006-01-01

    This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy

  6. Spectra of definite type in waveguide models

    Czech Academy of Sciences Publication Activity Database

    Lotoreichik, Vladimir; Siegl, Petr

    2017-01-01

    Roč. 145, č. 3 (2017), s. 1231-1246 ISSN 0002-9939 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : spectral points of definite and of type pi * weakly coupled bound states * pertrubations of essential spectrum * PT-symmetric waveguide Subject RIV: BE - Theoretical Physics OBOR OECD: Applied mathematics Impact factor: 0.679, year: 2016

  7. Modeling complex nuclear spectra: Regularity versus chaos

    International Nuclear Information System (INIS)

    Drozdz, S.; Nishizaki, S.; Speth, J.; Wambach, J.

    1994-01-01

    A statistical analysis of the spectrum of two-particle--two-hole doorway states in a finite nucleus is performed. On the unperturbed mean-field level sizable attractive correlations are present in such a spectrum. Including particle-hole rescattering effects via the residual interaction introduces repulsive dynamical correlations which generate the fluctuation properties characteristic of the Gaussian orthogonal ensemble. This signals that the underlying dynamics becomes chaotic. This feature turns out to be independent of the detailed form of the residual interaction and hence reflects the generic nature of the fluctuations studied

  8. Atomic Spectra and the Vector Model

    Science.gov (United States)

    Candler, A. C.

    2015-05-01

    12. Displaced terms; 13. Combination of several electrons; 14. Short periods; 15. Long periods; 16. Rare earths; 17. Intensity relsations; 18. Sum rules and (jj) coupling; 19. Series limit; 20. Hyperfine structure; 21. Quadripole radiation; 22. Fluorescent crystals; Appendix 5. Key to references; Appendix 6. Bibliography; Subject index; Author index.

  9. Reconstruction of neutron spectra through neural networks

    International Nuclear Information System (INIS)

    Vega C, H.R.; Hernandez D, V.M.; Manzanares A, E.

    2003-01-01

    A neural network has been used to reconstruct the neutron spectra starting from the counting rates of the detectors of the Bonner sphere spectrophotometric system. A group of 56 neutron spectra was selected to calculate the counting rates that would produce in a Bonner sphere system, with these data and the spectra it was trained the neural network. To prove the performance of the net, 12 spectra were used, 6 were taken of the group used for the training, 3 were obtained of mathematical functions and those other 3 correspond to real spectra. When comparing the original spectra of those reconstructed by the net we find that our net has a poor performance when reconstructing monoenergetic spectra, this attributes it to those characteristic of the spectra used for the training of the neural network, however for the other groups of spectra the results of the net are appropriate with the prospective ones. (Author)

  10. Biological Action Spectra (invited paper)

    Energy Technology Data Exchange (ETDEWEB)

    Gruijl, F.R. de

    2000-07-01

    Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

  11. Gamma-ray Output Spectra from 239 Pu Fission

    International Nuclear Information System (INIS)

    Ullmann, John

    2015-01-01

    Gamma-ray multiplicities, individual gamma-ray energy spectra, and total gamma energy spectra following neutron-induced fission of 239 Pu were measured using the DANCE detector at Los Alamos. Corrections for detector response were made using a forward-modeling technique based on propagating sets of gamma rays generated from a paramaterized model through a GEANT model of the DANCE array and adjusting the parameters for best fit to the measured spectra. The results for the gamma-ray spectrum and multiplicity are in general agreement with previous results, but the measured total gamma-ray energy is about 10% higher. A dependence of the gamma-ray spectrum on the gamma-ray multplicity was also observed. Global model calculations of the multiplicity and gamma energy distributions are in good agreement with the data, but predict a slightly softer total-energy distribution

  12. Polarised IR-microscope spectra of guanidinium hydrogensulphate single crystal.

    Science.gov (United States)

    Drozd, M; Baran, J

    2006-07-01

    Polarised IR-microscope spectra of C(NH(2))(3)*HSO(4) small single crystal samples were measured at room temperature. The spectra are discussed on the basis of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the Ocdots, three dots, centeredO distance of 2.603A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polariser angle are described. Detailed assignments for bands derived from stretching and bending modes of sulphate anions and guanidinium cations were performed. The observed intensities of these bands in polarised infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

  13. Polarized IR-microscope spectra of guanidinium hydrogenselenate single crystal.

    Science.gov (United States)

    Drozd, M; Baran, J

    2005-10-01

    The polarized IR-microscope spectra of C(NH2)3.HSeO4 small single crystal samples were measured at room temperature. The spectra are discussed with the framework of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the O...O distance of 2.616 A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polarizer angle are described. Detailed assignment for bands derived from stretching and bending modes of selenate anions and guanidinium cations were performed. The observed intensities of these bands in polarized infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

  14. Program package for processing energy spectra of gamma radiation

    International Nuclear Information System (INIS)

    Stejskalova, E.

    1985-01-01

    A library of programs for processing energy spectra of nuclear radiation using an ICL 4-72 computer is described. The library is available at the computer centre of the Prague universities and bears the acronym JADSPE. The programs perform the computation of positions, areas and half-widths of lines in the energy spectrum of the radiation, they give a graphic representation of the course of energy spectra on the printer and on the CALCOMP recorder; they also perform the addition or subtraction of energy spectra with possible aligning of the beginnings or ends of the spectra or of maximums of chosen lines. A model function in the form of a symmetric Gaussian function is used for the computation of parameters of spectral lines, and the variation of the background with energy is assumed to be linear. (author)

  15. Experimental investigation of the accuracy for absolute quantification of brain creatine concentration using long time echo point resolved spectroscopy sequence with an external standard and linear combination of model spectra

    International Nuclear Information System (INIS)

    Lin Yan; Shen Zhiwei; Xiao Yeyu; Zheng Wenbin; Wu Renhua; Li Hui; Xiao Zhuanwei

    2008-01-01

    Objective: To investigate the accuracy for absolute quantification of brain creatine (Cr) concentration using long time echo (TE) point resolved spectroscopy (PRESS) sequence performed with an extemal standard and postprocessed with the linear combination of model spectra ( LCModel). Methods: Ten swine (3.1 ± 0.6 kg) and an external standard phantom containing detectable compounds of known concentration were investigated in this study by using 1.5 T GE Signa scanner and a standard head coil. The single-voxel proton magnetic resonance spectroscopy ( 1 H-MRS) data were acquired from the two ROIs (2 cm x 2 cm x 2 cm) placed in swine brain and external standard solution using PRESS sequence with TE 135 ms, TR 1500 ms, and 128 scan averages. The in vivo quantification of Cr was accomplished by LCModel. After 1 H-MRS examination, each animal was sacrificed immediately. In vitro Cr concentration was analyzed by high performance liquid chromatography (HPLC). Results: In the 1 H-MRS group, the Cr concentration was (9.37±0.14)mmol/kg. In the HPLC group, the Cr concentration was (8.91± 0.13)mmol/kg. Good agreement was obtained between these two methods (t=9.038, P=0.491). Conclusion: The long echo time PRESS sequence performed with an external standard and processed with LCModel is proven to be an accurate technique to detect the in vivo brain Cr concentration. (authors)

  16. Primordial spectra from sudden turning trajectory

    Science.gov (United States)

    Noumi, Toshifumi; Yamaguchi, Masahide

    2013-12-01

    Effects of heavy fields on primordial spectra of curvature perturbations are discussed in inflationary models with a sudden turning trajectory. When heavy fields are excited after the sudden turn and oscillate around the bottom of the potential, the following two effects are generically induced: deformation of the inflationary background spacetime and conversion interactions between adiabatic and isocurvature perturbations, both of which can affect the primordial density perturbations. In this paper, we calculate primordial spectra in inflationary models with sudden turning potentials taking into account both of the two effects appropriately. We find that there are some non-trivial correlations between the two effects in the power spectrum and, as a consequence, the primordial scalar power spectrum has a peak around the scale exiting the horizon at the turn. Though both effects can induce parametric resonance amplifications, they are shown to be canceled out for the case with the canonical kinetic terms. The peak feature and the scale dependence of bispectra are also discussed.

  17. Spectra of γ rays feeding superdeformed bands

    International Nuclear Information System (INIS)

    Lauritsen, T.; Khoo, T.L.; Henry, R.G.

    1995-01-01

    The spectrum of γrays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding γrays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by ∼30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the γ cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed

  18. Continuous particle spectra and their angular distributions

    International Nuclear Information System (INIS)

    Sastry, Ch.V.; Jain, R.K.; Rama Rao, J.; Ernst, J.; Machner, H.

    1996-01-01

    The angular distribution of continuous particle spectra in pre-equilibrium reactions is still an unsolved problem, particularly so at forward angles. In the present work, the angular distributions of alpha particles emitted in (α, α',x) reactions in the target elements gold and rhodium have been studied in detail. Alpha particle beams of energy 60 MeV from the Variable Energy Cyclotron of Calcutta were used in these experiments. The theoretical calculations were done using an extended exciton model of Kalbach incorporated into the Computer Code PRECO-D2. The formalism used in the exciton model was modified to include division of pre equilibrium cross section into multi-step direct (MSD) and multi-step compound (MSC) components. These MSD and MSC cross sections were used to calculate the angular distributions in terms of Legendre polynomials whose coefficients are given by simple phenomenological relations. Even with a reasonable set of parameters, the agreement between theory and experiment was far from satisfactory at forward angles. Similar conclusion was also drawn in the case of continuous particle spectra of deuterons in (d, d'x) reactions at 25 MeV in various targets. (author). 10 refs., 2 figs

  19. Spectra of {gamma} rays feeding superdeformed bands

    Energy Technology Data Exchange (ETDEWEB)

    Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

    1995-08-01

    The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

  20. Systematic evaluation of prompt neutron spectra in fission

    International Nuclear Information System (INIS)

    Osawa, Takaaki

    1995-01-01

    To create the nuclear data fail JEND-32, the prompt fission neutron spectra X(E) of 233 U, 235 U, 238 U and 239 Pu were reevaluated and some improvement were added to the calculation models. We tried to extend the calculation method of fission spectra of nuclides with poor measurement data in consideration of increasing the importance of nuclear data of minor actinoids. We improved and extended the following five points. (1) On JENDL-3.1, the fission spectra of principal fissible materials had been calculated by the Modland-Nix model which the neutron emissions of fragments were calculated under the approximation of the constant inverse process cross section. In the paper, the spectra were calculated by the use of the inverse process cross section depend on the energy obtained by the calculation of the optical model. The result showed the increase of low energy components and the softening effect of spectra (2) On JENDL-3.1, the all fission processes were assumed to undergo (n,f) reaction. In the paper, they were calculated by the multi-chance fission such as (n, n'f), (n, 2nf) and (n, 3nf) etc. Softening of the spectra (En > 6 MeV) was obtained by this method. (3) The level density parameter (LDP) has been assumed as a = A/C in either case of light fragment (LF) and heavy fragment (HF) in the original Madland-Nix model. But we used LDP based on the Ignatyuk model under consideration of the shell effects of nuclear fragments, hence the neutron spectra of heavy fragments were hardening. (4) Nuclear temperature of both fragments had been assumed to be the same at original model, but now R T = Tm/TmH was derived to calculate them. The ratio of middle/both side components of spectra was changed. (5) Unknown neutron fission spectra of minor actinide were able to the assumed on the basis of Moriyama-Ohnishi model. (S.Y.)

  1. Path spectra derived from inversion of source and site spectra for earthquakes in Southern California

    Science.gov (United States)

    Klimasewski, A.; Sahakian, V. J.; Baltay, A.; Boatwright, J.; Fletcher, J. B.; Baker, L. M.

    2017-12-01

    A large source of epistemic uncertainty in Ground Motion Prediction Equations (GMPEs) is derived from the path term, currently represented as a simple geometric spreading and intrinsic attenuation term. Including additional physical relationships between the path properties and predicted ground motions would produce more accurate and precise, region-specific GMPEs by reclassifying some of the random, aleatory uncertainty as epistemic. This study focuses on regions of Southern California, using data from the Anza network and Southern California Seismic network to create a catalog of events magnitude 2.5 and larger from 1998 to 2016. The catalog encompasses regions of varying geology and therefore varying path and site attenuation. Within this catalog of events, we investigate several collections of event region-to-station pairs, each of which share similar origin locations and stations so that all events have similar paths. Compared with a simple regional GMPE, these paths consistently have high or low residuals. By working with events that have the same path, we can isolate source and site effects, and focus on the remaining residual as path effects. We decompose the recordings into source and site spectra for each unique event and site in our greater Southern California regional database using the inversion method of Andrews (1986). This model represents each natural log record spectra as the sum of its natural log event and site spectra, while constraining each record to a reference site or Brune source spectrum. We estimate a regional, path-specific anelastic attenuation (Q) and site attenuation (t*) from the inversion site spectra and corner frequency from the inversion event spectra. We then compute the residuals between the observed record data, and the inversion model prediction (event*site spectra). This residual is representative of path effects, likely anelastic attenuation along the path that varies from the regional median attenuation. We examine the

  2. Bayesian Estimation of Wave Spectra – Proper Formulation of ABIC

    DEFF Research Database (Denmark)

    Nielsen, Ulrik Dam

    2007-01-01

    It is possible to estimate on-site wave spectra using measured ship responses applied to Bayesian Modelling based on two prior information: the wave spectrum must be smooth both directional-wise and frequency-wise. This paper introduces two hyperparameters into Bayesian Modelling and, hence, a pr...

  3. Heavy meson mass spectra by general relativistic methods

    International Nuclear Information System (INIS)

    Italiano, A.; Lattuada, M.; Maccarrone, G.D.; Recami, E.; Riggi, F.; Vinciguerra, D.

    1984-01-01

    By applying the classical methods of general relativity to elementary particles one can get, in a natural way, the observed confinement of their constituents, avoiding any recourse to phenome-nological models such as bag model and allowing the deduction of the heavy meson (i.e. charmonium (J/psi) and bottomium (UPSILON)) mass spectra

  4. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    The need for generation of seismic acceleration histories to prescribed response spectra arises several ways in structural dynamics. For example, one way of obtaining floor spectra is to generate a history from a foundation spectra and then solve for the floor motion from which a floor spectrum can be obtained. Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE

  5. Characterizing Sky Spectra Using SDSS BOSS Data

    Science.gov (United States)

    Florez, Lina Maria; Strauss, Michael A.

    2018-01-01

    In the optical/near-infrared spectra gathered by a ground-based telescope observing very faint sources, the strengths of the emission lines due to the Earth’s atmosphere can be many times larger than the fluxes of the sources we are interested in. Thus the limiting factor in faint-object spectroscopy is the degree to which systematics in the sky subtraction can be minimized. Longwards of 6000 Angstroms, the night-sky spectrum is dominated by multiple vibrational/rotational transitions of the OH radical from our upper atmosphere. While the wavelengths of these lines are the same in each sky spectrum, their relative strengths vary considerably as a function of time and position on the sky. The better we can model their strengths, the better we can hope to subtract them off. We expect that the strength of lines from common upper energy levels will be correlated with one another. We used flux-calibrated sky spectra from the Sloan Digital Sky Survey Baryon Oscillation Spectroscopic Survey (SDSS BOSS) to explore these correlations. Our aim is to use these correlations for creating improved sky subtraction algorithms for the Prime Focus Spectrograph (PFS) on the 8.2-meter Subaru Telescope. When PFS starts gathering data in 2019, it will be the most powerful multi-object spectrograph in the world. Since PFS will be gathering data on sources as faint as 24th magnitude and fainter, it's of upmost importance to be able to accurately measure and subtract sky spectra from the data that we receive.

  6. Gamma-ray burst spectra

    International Nuclear Information System (INIS)

    Teegarden, B.J.

    1982-01-01

    A review of recent results in gamma-ray burst spectroscopy is given. Particular attention is paid to the recent discovery of emission and absorption features in the burst spectra. These lines represent the strongest evidence to date that gamma-ray bursts originate on or near neutron stars. Line parameters give information on the temperature, magnetic field and possibly the gravitational potential of the neutron star. The behavior of the continuum spectrum is also discussed. A remarkably good fit to nearly all bursts is obtained with a thermal-bremsstrahlung-like continuum. Significant evolution is observed of both the continuum and line features within most events

  7. Uranium spectra in the ICP

    Energy Technology Data Exchange (ETDEWEB)

    Ghazi, A.A.; Qamar, S.; Atta, M.A. (Khan (A.Q.) Research Labs., Rawalpindi (Pakistan))

    1994-05-01

    Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author).

  8. Identified hadron spectra from PHOBOS

    Science.gov (United States)

    Veres, Gábor I.; the PHOBOS Collaboration; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Becker, B.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Harrington, A. S.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Khan, N.; Kulinich, P.; Kuo, C. M.; Lee, J. W.; Lin, W. T.; Manly, S.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Roland, C.; Roland, G.; Sagerer, J.; Sarin, P.; Sedykh, I.; Skulski, W.; Smith, C. E.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wolfs, F. L. H.; Wosiek, B.; Wozniak, K.; Wysłouch, B.; Zhang, J.

    2004-08-01

    Transverse momentum spectra of pions, kaons and protons, as well as antiparticle to particle ratios near mid-rapidity from d+Au collisions at \\sqrt{sNN} = 200 GeV have been measured by the PHOBOS experiment at RHIC. The transverse momentum range of particle identification was extended to beyond 3 GeV/c using the TOF detector and a new trigger system. The pseudorapidity dependence of the nuclear modification factor for charged hadrons in d+Au collisions is presented.

  9. Uranium spectra in the ICP

    International Nuclear Information System (INIS)

    Ghazi, A.A.; Qamar, S.; Atta, M.A.

    1994-01-01

    Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author)

  10. Operator functions and localization of spectra

    CERN Document Server

    Gil’, Michael I

    2003-01-01

    "Operator Functions and Localization of Spectra" is the first book that presents a systematic exposition of bounds for the spectra of various linear nonself-adjoint operators in a Hilbert space, having discrete and continuous spectra. In particular bounds for the spectra of integral, differential and integro-differential operators, as well as finite and infinite matrices are established. The volume also presents a systematic exposition of estimates for norms of operator-valued functions and their applications.

  11. Running of featureful primordial power spectra

    Science.gov (United States)

    Gariazzo, Stefano; Mena, Olga; Miralles, Victor; Ramírez, Héctor; Boubekeur, Lotfi

    2017-06-01

    Current measurements of the temperature and polarization anisotropy power spectra of the cosmic microwave background (CMB) seem to indicate that the naive expectation for the slow-roll hierarchy within the most simple inflationary paradigm may not be respected in nature. We show that a primordial power spectrum with localized features could in principle give rise to the observed slow-roll anarchy when fitted to a featureless power spectrum. From a model comparison perspective, and assuming that nature has chosen a featureless primordial power spectrum, we find that, while with mock Planck data there is only weak evidence against a model with localized features, upcoming CMB missions may provide compelling evidence against such a nonstandard primordial power spectrum. This evidence could be reinforced if a featureless primordial power spectrum is independently confirmed from bispectrum and/or galaxy clustering measurements.

  12. Evaluating Lyapunov exponent spectra with neural networks

    International Nuclear Information System (INIS)

    Maus, A.; Sprott, J.C.

    2013-01-01

    Highlights: • Cross-correlation is employed to remove spurious Lyapunov exponents from a spectrum. • Neural networks are shown to accurately model Lyapunov exponent spectra. • Neural networks compare favorably to local linear fits in modeling Lyapunov exponents. • Numerical experiments are performed with time series of varying length and noise. • Methods perform reasonably well on discrete time series. -- Abstract: A method using discrete cross-correlation for identifying and removing spurious Lyapunov exponents when embedding experimental data in a dimension greater than the original system is introduced. The method uses a distribution of calculated exponent values produced by modeling a single time series many times or multiple instances of a time series. For this task, global models are shown to compare favorably to local models traditionally used for time series taken from the Hénon map and delayed Hénon map, especially when the time series are short or contaminated by noise. An additional merit of global modeling is its ability to estimate the dynamical and geometrical properties of the original system such as the attractor dimension, entropy, and lag space, although consideration must be taken for the time it takes to train the global models

  13. Testing of a Code for the Calculation of Spectra of Neutrons Produced in a Target of a Neutron Generator

    Science.gov (United States)

    Gaganov, V. V.

    2017-12-01

    The correctness of calculations performed with the SRIANG code for modeling the spectra of DT neutrons is estimated by comparing the obtained spectra to the results of calculations carried out with five different codes based on the Monte Carlo method.

  14. LINE FORMATION IN SPECTRA OF X-RAY NOVAE

    OpenAIRE

    Suleimanov, V. F.; Shimansky, V. V.

    2017-01-01

    Results of X-ray Novae (XN) optical spectra computation are presented. The continuum and Balmer line are calculated. The model of XN as a self-irradiated accretion disk is used. Local (for given radius) disk atmospheres as model stellar atmospheres, heated due to external X-ray radiation are treated. Changes of spectra shape and equivalent widths of the Balmer lines depending from the luminosity and some others accretion disk parameters are investigated. The comparison of GRO JO422+32 observe...

  15. On statistical fluctuations in the dibaryon spectra

    International Nuclear Information System (INIS)

    Bazhanskij, I.I.; Luk'yanov, V.K.; Reznik, B.L.; Titov, A.I.

    1988-01-01

    The aim of this report is to show, that idea about statistical nature of dibaryon resonances corresponds to the present experimental data. Condition for cross section fluctuation occurrence is linked with value of decay width for isolated dibaryon in nucleon channel. Γ in terms of dibaryon potential quark model and q 6 → NN dibaryon decay for q 6 state with S 6 orbital symmetry and (S=I, I=0) deuteron quantum numbers are calculated as an example. np → ppπ - , dp → ppn and elastic pp-scattering are considered and distributions of cross sections and correlation functions obtained from these reactions are presented to investigate cross section fluctuations in spectra of effective masses of two-nucleon systems. Supposition about fluctuation pattern does not contradict the experiment. Curves, calculated with x l α < or approx. 0.05 partial amplitude parameter and full width of Γ < or approx. 20 MeV dibaryon resonances comply to the present experiment best. Fluctuation peculiarities -peaks in cross sections have approximately the same energy width (Γ ∼ 15-20 MeV) as the observed narrow peak in effective mass spectra of some reactions. 16 refs.; 3 figs

  16. Analysis of the FF Aqr spectra

    Science.gov (United States)

    Shimanskaya, N. N.; Bikmaev, I. F.; Shimansky, V. V.

    2011-07-01

    We determine the atmospheric parameters of the secondary in the close binary system FF Aqr and analyze its chemical composition. A series of high-resolution spectra are taken at different orbital phases using the coude echelle spectrometer of the 1.5-m Russian-Turkish Telescope (RTT150). We show that the absorption line intensity of heavy elements varies with phase due to the spotty nature of the cool component. We determine the abundances of heavy elements in the star's atmosphere by modelling the synthetic spectra and performing a differential analysis of the chemical composition of FF Aqr relative to the solar composition. Our analysis of the averaged spectrum of FF Aqr yielded 539 abundance estimates for 21 chemical elements. We found the metallicity of the star ([ Fe/H] = -0.11 ± 0.08) to be close solar, in agreement with the hypothesis that FF Aqr should belong to the Galactic disk. The inferred chemical composition of the objects exhibits no anomalous abundances of the α-, r-, and s-process elements like those earlier found in other systems (IN Com, LW Hya, V471 Tau). The lack of such anomalies in FF Aqr must be due to the fact that the elements heavier than 16 O cannot be synthesized in the core of the primary during the last stages of its evolution.

  17. Scikit-spectra: Explorative Spectroscopy in Python

    Directory of Open Access Journals (Sweden)

    Adam Hughes

    2015-06-01

    Full Text Available Scikit-spectra is an intuitive framework for explorative spectroscopy in Python. Scikit-spectra leverages the Pandas library for powerful data processing to provide datastructures and an API designed for spectroscopy. Utilizing the new IPython Notebook widget system, scikit-spectra is headed towards a GUI when you want it, API when you need it approach to spectral analysis. As an application, analysis is presented of the surface-plasmon resonance shift in a solution of gold nanoparticles induced by proteins binding to the gold’s surface. Please refer to the scikit-spectra website for full documentation and support: http://hugadams.github.io/scikit-spectra/

  18. An RGB approach to extraordinary spectra

    Science.gov (United States)

    Grusche, Sascha; Theilmann, Florian

    2015-09-01

    After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

  19. Different spectra with the same neutron source

    International Nuclear Information System (INIS)

    Vega C, H. R.; Ortiz R, J. M.; Hernandez D, V. M.; Martinez B, M. R.; Hernandez A, B.; Ortiz H, A. A.; Mercado, G. A.

    2010-01-01

    Using as source term the spectrum of a 239 Pu-Be source several neutron spectra have been calculated using Monte Carlo methods. The source term was located in the centre of spherical moderators made of light water, heavy water and polyethylene of different diameters. Also a 239 Pu-Be source was used to measure its neutron spectrum, bare and moderated by water. The neutron spectra were measured at 100 cm with a Bonner spheres spectrometer. Monte Carlo calculations were used to calculate the neutron spectra of bare and water-moderated spectra that were compared with those measured with the spectrometer. Resulting spectra are similar to those found in power plants with PWR, BWR and Candu nuclear reactors. Beside the spectra the dosimetric features were determined. Using moderators and a single neutron source can be produced neutron spectra alike those found in workplaces, this neutron fields can be utilized to calibrate neutron dosimeters and area monitors. (Author)

  20. Influence of soil-structure interaction on floor response spectra

    International Nuclear Information System (INIS)

    Costantino, C.J.; Miller, C.A.; Curreri, J.R.

    1985-01-01

    A study was undertaken to investigate the influence of soil-structure interaction on floor response spectra developed in typical nuclear power plant structures. A horizontal earthquake time history, whose spectra envelops the Reg. Guide 1.60 criteria and is scaled to a 1 g peak acceleration, was used as input to structural models. Two different structural stick models were used, representing typical BWR and PWR facilities. By varying the structural and soil stiffness parameters, a wide range of system behaviors were investigated. Floor response spectra, required to assess equipment qualification, were of primary interest. It was found from a variation of parameter study that the interaction soil parameters, particularly radiation damping, greatly affect the nature of the calculated responses. (orig.)

  1. Influence of soil-structure interaction on floor response spectra

    International Nuclear Information System (INIS)

    Costantino, C.J.; Miller, C.A.; Curreri, J.R.

    1985-01-01

    A study was undertaken to investigate the influence of soil-structure interaction on floor response spectra developed in typical nuclear power plant structures. A horizontal earthquake time history, whose spectra envelops the Regulatory Guide 1.60 criteria and is scaled to a log peak acceleration, was used as input to structural models. Two different structural stick models were used, representing typical BWR and PWR facilities. By varying the structural and soil stiffness parameters, a wide range of system behaviors were investigated. Floor response spectra, required to assess equipment qualification, were of primary interest. It was found from a variation of parameter study that the interaction soil parameters, particularly radiation damping, greatly affect the nature of the calculated responses. 2 refs., 2 figs., 2 tabs

  2. Schottky spectra and crystalline beams

    International Nuclear Information System (INIS)

    Pestrikov, D.V.

    1996-01-01

    In this paper we revise the current dependence of the Schottky noise power of a cooled proton beam previously measured at NAP-M. More careful study of experimental data indicates a linear decrease in the inverse Schottky noise power with an increase in the beam intensity (N). The root of this function determines a threshold current which occurs at N = N th ≅1.2 x 10 8 particles. The inspection of measured Schottky spectra shows that this threshold does not correspond to some collective instability of the measured harmonic of the linear beam density. The found value of N th does not depend on the longitudinal beam temperature. For the case of NAP-M lattice, the study of the spectral properties of the Schottky noise in the crystalline string predicts the current dependence of the equilibrium momentum spread of the beam, which qualitatively agrees with that, recalculated from the NAP-M data. (orig.)

  3. Fractal analysis of power spectra

    International Nuclear Information System (INIS)

    Johnston, S.

    1982-01-01

    A general argument is presented concerning the Hausdorff dimension D of the power spectrum curve for a system of N weakly-coupled oscillators. Explicit upper and lower bounds for D are derived in terms of the number N of interacting modes. The mathematical reasoning relies upon the celebrated KAM theorem concerning the perturbation of Hamiltonian systems and the finite measure of the set of destroyed tori in phase space; this set can be related to Hausdorff dimension by certain mathematical theorems. An important consequence of these results is a simple empirical test for the applicability of Hamiltonian perturbation theory in the analysis of an experimentally observed spectrum. As an illustration, the theory is applied to the interpretation of a recent numerical analysis of both the power spectrum of the Sun and certain laboratory spectra of hydrodynamic turbulence. (Auth.)

  4. Spectra processing with computer graphics

    International Nuclear Information System (INIS)

    Kruse, H.

    1979-01-01

    A program of processng gamma-ray spectra in rock analysis is described. The peak search was performed by applying a cross-correlation function. The experimental data were approximated by an analytical function represented by the sum of a polynomial and a multiple peak function. The latter is Gaussian, joined with the low-energy side by an exponential. A modified Gauss-Newton algorithm is applied for the purpose of fitting the data to the function. The processing of the values derived from a lunar sample demonstrates the effect of different choices of polynomial orders for approximating the background for various fitting intervals. Observations on applications of interactive graphics are presented. 3 figures, 1 table

  5. RCI Simulation for EUV spectra from Sn ions

    International Nuclear Information System (INIS)

    Kagawa, T; Tanuma, H; Ohashi, H; Nishihara, K

    2007-01-01

    Using the relativistic-configuration-interaction atomic structure code, RCI simulations for EUV spectra from Sn 10+ , Sn 11+ and Sn 12+ ions are carried out, where it is assumed that each ion is embedded in a LTE plasma with the electron temperature of 30 eV. To make clear assignment of the measured spectra, the value of the excitation energy limit, which is introduced to limit the number of excited states in the simulation, is changed to see the excitation-energy-limit dependence of the spectral shape. The simulated spectra are obtained as a superposition of line intensities due to all possible transitions between two states whose excitation energy from the ground state is lower than the excitation energy limit assumed. The RCI simulated spectra are compared to the spectra measured with the chargeexchange- collision experiment in which a rare gas such as Xe or He as a target is bombarded by a charge-selected tin ion. Applicability of the LTE model to a decay model in the charge exchange collision experiment is also discussed

  6. Iterative maximum a posteriori (IMAP-DOAS for retrieval of strongly absorbing trace gases: Model studies for CH4 and CO2 retrieval from near infrared spectra of SCIAMACHY onboard ENVISAT

    Directory of Open Access Journals (Sweden)

    C. Frankenberg

    2005-01-01

    Full Text Available In the past, differential optical absorption spectroscopy (DOAS has mostly been employed for atmospheric trace gas retrieval in the UV/Vis spectral region. New spectrometers such as SCIAMACHY onboard ENVISAT also provide near infrared channels and thus allow for the detection of greenhouse gases like CH4, CO2, or N2O. However, modifications of the classical DOAS algorithm are necessary to account for the idiosyncrasies of this spectral region, i.e. the temperature and pressure dependence of the high resolution absorption lines. Furthermore, understanding the sensitivity of the measurement of these high resolution, strong absorption lines by means of a non-ideal device, i.e. having finite spectral resolution, is of special importance. This applies not only in the NIR, but can also prove to be an issue for the UV/Vis spectral region. This paper presents a modified iterative maximum a posteriori-DOAS (IMAP-DOAS algorithm based on optimal estimation theory introduced to the remote sensing community by rodgers76. This method directly iterates the vertical column densities of the absorbers of interest until the modeled total optical density fits the measurement. Although the discussion in this paper lays emphasis on satellite retrieval, the basic principles of the algorithm also hold for arbitrary measurement geometries. This new approach is applied to modeled spectra based on a comprehensive set of atmospheric temperature and pressure profiles. This analysis reveals that the sensitivity of measurement strongly depends on the prevailing pressure-height. The IMAP-DOAS algorithm properly accounts for the sensitivity of measurement on pressure due to pressure broadening of the absorption lines. Thus, biases in the retrieved vertical columns that would arise in classical algorithms, are obviated. Here, we analyse and quantify these systematic biases as well as errors due to variations in the temperature and pressure profiles, which is indispensable for

  7. Assessment of smoothed spectra using autocorrelation function

    International Nuclear Information System (INIS)

    Urbanski, P.; Kowalska, E.

    2006-01-01

    Recently, data and signal smoothing became almost standard procedures in the spectrometric and chromatographic methods. In radiometry, the main purpose to apply smoothing is minimisation of the statistical fluctuation and avoid distortion. The aim of the work was to find a qualitative parameter, which could be used, as a figure of merit for detecting distortion of the smoothed spectra, based on the linear model. It is assumed that as long as the part of the raw spectrum removed by the smoothing procedure (v s ) will be of random nature, the smoothed spectrum can be considered as undistorted. Thanks to this feature of the autocorrelation function, drifts of the mean value in the removed noise vs as well as its periodicity can be more easily detected from the autocorrelogram than from the original data

  8. Conformal Symmetry Patterns in Baryon Spectra

    International Nuclear Information System (INIS)

    Kirchbach, Mariana; Compean, Cliffor B

    2011-01-01

    Attention is drawn to the fact that the spectra of the baryons of the lightest flavors, the nucleon and the Δ, carry quantum numbers characteristic for an unitary representation of the conformal group. We show that the above phenomenon is well explained for baryons whose internal structure is dominated by a quark-diquark configuration that resides in a conformally compactified Minkowski space time, R 1 x S 3 , and is described by means of the conformal scale equation there. The R 1 x S 3 space-time represents the boundary of the conformally compactified AdS 5 , on which one expects to encounter a conformal theory in accord with the gauge-gravity duality. Within this context, our model is congruent with AdS 5 /CFT 4 .

  9. Quantum algebraic description of vibrational and transitional nuclear spectra

    International Nuclear Information System (INIS)

    Raychev, P.P.; Roussev, R.P.; Inrne, D.

    1995-01-01

    A physically motivated extension of the SU q (2) model of rotational nuclear spectra is introduced, which is applicable in the vibrational and transitional regions as well. The deformation parameter is related to the centrifugal stretching effect, while the new parameter c allows the spectrum to be an expansion in terms of J(J+c) instead of J(J+1), thus describing nuclear anharmonicities in a way similar to the Interacting Boson Model and the Generalized Variable Moment of Inertia model

  10. [The NIR spectra based variety discrimination for single soybean seed].

    Science.gov (United States)

    Zhu, Da-Zhou; Wang, Kun; Zhou, Guang-Hua; Hou, Rui-Feng; Wang, Cheng

    2010-12-01

    With the development of soybean producing and processing, the quality breeding becomes more and more important for soybean breeders. Traditional sampling detection methods for soybean quality need to destroy the seed, and does not satisfy the requirement of earlier generation materials sieving for breeding. Near infrared (NIR) spectroscopy has been widely used for soybean quality detection. However, all these applications were referred to mass samples, and they were not suitable for little or single seed detection in breeding procedure. In the present study, the acousto--optic tunable filter (AOTF) NIR spectroscopy was used to measure the single soybean seed. Two varieties of soybean were measured, which contained 60 KENJIANDOU43 seeds and 60 ZHONGHUANG13 seeds. The results showed that NIR spectra combined with soft independent modeling of class analogy (SIMCA) could accurately discriminate the soybean varieties. The classification accuracy for KENJIANDOU43 seeds and ZHONGHUANG13 was 100%. The spectra of single soybean seed were measured at different positions, and it showed that the seed shape has significant influence on the measurement of spectra, therefore, the key point for single seed measurement was how to accurately acquire the spectra and keep their representativeness. The spectra for soybeans with glossy surface had high repeatability, while the spectra of seeds with external defects had significant difference for several measurements. For the fast sieving of earlier generation materials in breeding, one could firstly eliminate the seeds with external defects, then apply NIR spectra for internal quality detection, and in this way the influence of seed shape and external defects could be reduced.

  11. Neutron spectra produced by moderating an isotopic neutron source

    International Nuclear Information System (INIS)

    Carrillo Nunnez, Aureliano; Vega Carrillo, Hector Rene

    2001-01-01

    A Monte Carlo study has been carried out to determine the neutron spectra produced by an isotopic neutron source inserted in moderating media. Most devices used for radiation protection have a response strongly dependent on neutron energy. ISO recommends several neutron sources and monoenergetic neutron radiations, but actual working situations have broad spectral neutron distributions extending from thermal to MeV energies, for instance, near nuclear power plants, medical applications accelerators and cosmic neutrons. To improve the evaluation of the dosimetric quantities, is recommended to calibrate the radiation protection devices in neutron spectra which are nearly like those met in practice. In order to complete the range of neutron calibrating sources, it seems useful to develop several wide spectral distributions representative of typical spectra down to thermal energies. The aim of this investigation was to use an isotopic neutron source in different moderating media to reproduce some of the neutron fields found in practice. MCNP code has been used during calculations, in these a 239PuBe neutron source was inserted in H2O, D2O and polyethylene moderators. Moderators were modeled as spheres and cylinders of different sizes. In the case of cylindrical geometry the anisotropy of resulting neutron spectra was calculated from 0 to 2 . From neutron spectra dosimetric features were calculated. MCNP calculations were validated by measuring the neutron spectra of a 239PuBe neutron source inserted in a H2O cylindrical moderator. The measurements were carried out with a multisphere neutron spectrometer with a 6LiI(Eu) scintillator. From the measurements the neutron spectrum was unfolded using the BUNKIUT code and the UTA4 response matrix. Some of the moderators with the source produce a neutron spectrum close to spectra found in actual applications, then can be used during the calibration of radiation protection devices

  12. Medium-resolution isaac newton telescope library of empirical spectra

    NARCIS (Netherlands)

    Sanchez-Blazquez, P.; Peletier, R. F.; Jimenez-Vicente, J.; Cardiel, N.; Cenarro, A. J.; Falcon-Barroso, J.; Gorgas, J.; Selam, S.; Vazdekis, A.

    2006-01-01

    A new stellar library developed for stellar population synthesis modelling is presented. The library consists of 985 stars spanning a large range in atmospheric parameters. The spectra were obtained at the 2.5-m Isaac Newton Telescope and cover the range lambda lambda 3525-7500 angstrom at 2.3

  13. The deconvolution of complex spectra by artificial immune system

    Science.gov (United States)

    Galiakhmetova, D. I.; Sibgatullin, M. E.; Galimullin, D. Z.; Kamalova, D. I.

    2017-11-01

    An application of the artificial immune system method for decomposition of complex spectra is presented. The results of decomposition of the model contour consisting of three components, Gaussian contours, are demonstrated. The method of artificial immune system is an optimization method, which is based on the behaviour of the immune system and refers to modern methods of search for the engine optimization.

  14. Transverse momentum spectra of the produced hadrons at SPS

    Indian Academy of Sciences (India)

    2014-04-30

    Apr 30, 2014 ... The transverse momentum spectra of the produced hadrons have been compared to a model, which is based on the assumption that a nucleus–nucleus collision is a superposition of isotropically decaying thermal sources at a given freeze-out temperature. The freeze-out temperature in nucleus–nucleus ...

  15. Heavy quark effective theory and study of heavy hadron spectra

    International Nuclear Information System (INIS)

    Dong Yubing

    1995-01-01

    By employing the heavy quark effective theory, the spectra of heavy hadrons, such as heavy mesons (Q-barq), heavy baryons (QQq and Qqq) and heavy multiquark systems (Q-barQ-barqq) are studied systemically. The results are compared with the predictions for Q-barQ-barqq in potential model

  16. Secondary graviton spectra and waterfall-like fields

    CERN Document Server

    Giovannini, Massimo

    2010-01-01

    The secondary spectra of the gravitons induced by a waterfall-like field are computed and the general bounds on the spectral energy density of the tensor modes of the geometry are translated into explicit constraints on the amplitude and slope of the waterfall spectrum. The obtained results are compared with the primary gravitational wave spectra of the concordance model and of its neighboring extensions as well as with the direct Ligo/Virgo bounds on stochastic backgrounds of relic gravitons. Space-borne interferometers (such as Lisa, Bbo, Decigo) seem to be less relevant but their potential implications are briefly outlined.

  17. Analysis of gamma spectra with a HP calcultor

    International Nuclear Information System (INIS)

    Rocc, H.C.

    1978-01-01

    Three programs for the analysis of gamma spectra, specially useful for neutron activation analysis, were adapted and tested. The equipment used is a Hewlett-Packard, model 9810-A desk-computer, supplied with punched tape reader, additional memory in magnetic tape and plotter, being the system capacity 111 numerical registers and 2036 programme steps. The first programme allows automatic photopeak detection in spectra up to 4096 channels, obtained with Ge(Li) detectors,generating the corresponding background radiation line. The areas and their standard deviations are calculated and the spectrum and background can be plotted [pt

  18. Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

    Science.gov (United States)

    Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

    2018-05-01

    This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

  19. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL

    2012-01-01

    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  20. INTRIGOSS: A new Library of High Resolution Synthetic Spectra

    Science.gov (United States)

    Franchini, Mariagrazia; Morossi, Carlo; Di Marcancantonio, Paolo; Chavez, Miguel; GES-Builders

    2018-01-01

    INTRIGOSS (INaf Trieste Grid Of Synthetic Spectra) is a new High Resolution (HiRes) synthetic spectral library designed for studying F, G, and K stars. The library is based on atmosphere models computed with specified individual element abundances via ATLAS12 code. Normalized SPectra (NSP) and surface Flux SPectra (FSP), in the 4800-5400 Å wavelength range, were computed by means of the SPECTRUM code. The synthetic spectra are computed with an atomic and bi-atomic molecular line list including "bona fide" Predicted Lines (PLs) built by tuning loggf to reproduce very high SNR Solar spectrum and the UVES-U580 spectra of five cool giants extracted from the Gaia-ESO survey (GES). The astrophysical gf-values were then assessed by using more than 2000 stars with homogenous and accurate atmosphere parameters and detailed chemical composition from GES. The validity and greater accuracy of INTRIGOSS NSPs and FSPs with respect to other available spectral libraries is discussed. INTRIGOSS will be available on the web and will be a valuable tool for both stellar atmospheric parameters and stellar population studies.

  1. Displacement cross sections and PKA spectra: tables and applications

    International Nuclear Information System (INIS)

    Doran, D.G.; Graves, N.J.

    1976-12-01

    Damage energy cross sections to 20 MeV are given for aluminum, vanadium, chromium, iron, nickel, copper, zirconium, niobium, molybdenum, tantalum, tungsten, lead, and 18Cr10Ni stainless steel. They are based on ENDF/B-IV nuclear data and the Lindhard energy partition model. Primary knockon atom (PKA) spectra are given for aluminum, iron, niobium, tantalum, and lead for neutron energies up to 15 MeV at approximately one-quarter lethargy intervals. The contributions of various reactions to both the displacement cross sections (taken to be proportional to the damage energy cross sections) and the PKA spectra are presented graphically. Spectral-averaged values of the displacement cross sections are given for several spectra, including approximate maps for the Experimental Breeder Reactor-II (EBR-II) and several positions in the Fast Test Reactor (FTR). Flux values are included to permit estimation of displacement rates. Graphs show integral PKA spectra for the five metals listed above for neutron spectra corresponding to locations in the EBR-II, the High Flux Isotope Reactor (HFIR), and a conceptual fusion reactor (UWMAK-I). Detailed calculations are given only for cases not previously documented. Uncertainty estimates are included

  2. Spectra of matrix isolated metal atoms and clusters

    International Nuclear Information System (INIS)

    Meyer, B.

    1977-01-01

    The matrix isolation spectra of all of the 40 presently known atomic metal species show strong matrix effects. The transition energies are increased, and the bands are broad and exhibit splitting of sublevels which are degenerate in the gas phase. Several models have been proposed for splitting of levels, but basic effects are not yet understood, and spectra cannot be predicted, yet it is possible to correlate gas phase and matrix in many of the systems. Selective production of diatomics and clusters via thermal and optical annealing of atomic species can be monitored by optical spectra, but yields spectroscopically complex systems which, however, especially in the case of transition metals, can be used as precursors in novel chemical reactions. A combination of absorption, emission, ir, Raman, ESR, and other methods is now quickly yielding data which will help correlate the increasing wealth of existing data. 55 references, 6 figures

  3. Configuration interaction in charge exchange spectra of tin and xenon

    Science.gov (United States)

    D'Arcy, R.; Morris, O.; Ohashi, H.; Suda, S.; Tanuma, H.; Fujioka, S.; Nishimura, H.; Nishihara, K.; Suzuki, C.; Kato, T.; Koike, F.; O'Sullivan, G.

    2011-06-01

    Charge-state-specific extreme ultraviolet spectra from both tin ions and xenon ions have been recorded at Tokyo Metropolitan University. The electron cyclotron resonance source spectra were produced from charge exchange collisions between the ions and rare gas target atoms. To identify unknown spectral lines of tin and xenon, atomic structure calculations were performed for Sn14+-Sn17+ and Xe16+-Xe20+ using the Hartree-Fock configuration interaction code of Cowan (1981 The Theory of Atomic Structure and Spectra (Berkeley, CA: University of California Press)). The energies of the capture states involved in the single-electron process that occurs in these slow collisions were estimated using the classical over-barrier model.

  4. Reflectance spectra of subarctic lichens

    International Nuclear Information System (INIS)

    Petzold, D.E.; Goward, S.N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the mid latitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 μm, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future. (author)

  5. Energy spectra of quantum rings.

    Science.gov (United States)

    Fuhrer, A; Lüscher, S; Ihn, T; Heinzel, T; Ensslin, K; Wegscheider, W; Bichler, M

    2001-10-25

    Quantum mechanical experiments in ring geometries have long fascinated physicists. Open rings connected to leads, for example, allow the observation of the Aharonov-Bohm effect, one of the best examples of quantum mechanical phase coherence. The phase coherence of electrons travelling through a quantum dot embedded in one arm of an open ring has also been demonstrated. The energy spectra of closed rings have only recently been studied by optical spectroscopy. The prediction that they allow persistent current has been explored in various experiments. Here we report magnetotransport experiments on closed rings in the Coulomb blockade regime. Our experiments show that a microscopic understanding of energy levels, so far limited to few-electron quantum dots, can be extended to a many-electron system. A semiclassical interpretation of our results indicates that electron motion in the rings is governed by regular rather than chaotic motion, an unexplored regime in many-electron quantum dots. This opens a way to experiments where even more complex structures can be investigated at a quantum mechanical level.

  6. Reflectance spectra of subarctic lichens

    Science.gov (United States)

    Petzold, Donald E.; Goward, Samuel N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the midlatitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 microns, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future.

  7. Methodology for analyzing weak spectra

    International Nuclear Information System (INIS)

    Yankovich, T.L.; Swainson, I.P.

    2000-02-01

    There is considerable interest in quantifying radionuclide transfer between environmental compartments. However, in many cases, it can be a challenge to detect concentrations of gamma-emitting radionuclides due to their low levels in environmental samples. As a result, it is valuable to develop analytical protocols to ensure consistent analysis of the areas under weak peaks. The current study has focused on testing how reproducibly peak areas and baselines can be determined using two analytical approaches. The first approach, which can be carried out using Maestro software, involves extracting net counts under a curve without fitting a functional form to the peak, whereas the second approach, which is used by most other peak fitting programs, determines net counts from spectra by fitting a Gaussian form to the data. It was found that the second approach produces more consistent peak area and baseline measurements, with the ability to de-convolute multiple, overlapping peaks. In addition, programs, such as Peak Fit, which can be used to fit a form to spectral data, often provide goodness of fit analyses, since the Gaussian form can be described using a characteristic equation against which peak data can be tested for their statistical significance. (author)

  8. Summary Report of Second Research Coordination Meeting on Prompt Fission Neutron Spectra of Major Actinides

    International Nuclear Information System (INIS)

    Capote Noy, R.

    2013-09-01

    A summary is given of the Second Research Coordination Meeting on Prompt Fission Neutron Spectra of Actinides. Experimental data and modelling methods on prompt fission neutron spectra were reviewed. Extensive technical discussions held on theoretical methods to calculate prompt fission spectra. Detailed coordinated research proposals have been agreed. Summary reports of selected technical presentations at the meeting are given. The resulting work plan of the Coordinated Research Programme is summarized, along with actions and deadlines. (author)

  9. Frequency domain fatigue damage estimation methods suitable for deterministic load spectra

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, A.R.; Patel, M.H. [University Coll., Dept. of Mechanical Engineering, London (United Kingdom)

    2000-07-01

    The evaluation of fatigue damage due to load spectra, directly in the frequency domain, is a complex phenomena but with the benefit of significant computation time savings. Various formulae have been suggested but have usually relating to a specific application only. The Dirlik method is the exception and is applicable to general cases of continuous stochastic spectra. This paper describes three approaches for evaluating discrete deterministic load spectra generated by the floating wind turbine model developed the UCL/RAL research project. (Author)

  10. Optical absorption spectra of Ag-11 isomers

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Fernandez, E. M.

    2009-01-01

    The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground-stale confi......The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground...

  11. Curved Radio Spectra of Weak Cluster Shocks

    Science.gov (United States)

    Kang, Hyesung; Ryu, Dongsu

    2015-08-01

    In order to understand certain observed features of arc-like giant radio relics such as the rareness, uniform surface brightness, and curved integrated spectra, we explore a diffusive shock acceleration (DSA) model for radio relics in which a spherical shock impinges on a magnetized cloud containing fossil relativistic electrons. Toward this end, we perform DSA simulations of spherical shocks with the parameters relevant for the Sausage radio relic in cluster CIZA J2242.8+5301, and calculate the ensuing radio synchrotron emission from re-accelerated electrons. Three types of fossil electron populations are considered: a delta-function like population with the shock injection momentum, a power-law distribution, and a power law with an exponential cutoff. The surface brightness profile of the radio-emitting postshock region and the volume-integrated radio spectrum are calculated and compared with observations. We find that the observed width of the Sausage relic can be explained reasonably well by shocks with speed {u}{{s}}˜ 3× {10}3 {km} {{{s}}}-1 and sonic Mach number {M}{{s}}˜ 3. These shocks produce curved radio spectra that steepen gradually over (0.1-10){ν }{br} with a break frequency {ν }{br}˜ 1 GHz if the duration of electron acceleration is ˜60-80 Myr. However, the abrupt increase in the spectral index above ˜1.5 GHz observed in the Sausage relic seems to indicate that additional physical processes, other than radiative losses, operate for electrons with {γ }{{e}}≳ {10}4.

  12. Analysis of Isp-42, panda test with the spectra code

    International Nuclear Information System (INIS)

    Stempniewicz, M.M.

    2001-01-01

    International Standard Problems (ISP) are organized in order to assess the ability of computer codes to predict the outcome of accidents in Nuclear Power Plants. The ISP-42 test was performed at Paul Scherrer Institute in 1998, as a sequence of six phases, Phase A through F Blind and open calculations of ISP-42 were performed with the computer code SPECTRA for each of the six phases. SPECTRA is a general tool for thermal-hydraulic analyses. Results of blind calculations are in good agreement with experiment. For open calculations several modifications were made in the model. These were mainly corrections of some input errors made in the model used for blind analysis. Some small improvements to the nodalization were made. Results of open calculations are generally closer to the experiment than the blind results. For phase D the containment pressure prediction was somewhat worse in the open calculation. Based on comparisons of blind and open results with experiment several conclusions may be drawn: - use of long ID structures, in contact with pool and atmosphere should be avoided, - PCC units are better represented with larger amount of Control Volumes, - two parallel junctions should be used to represent large openings between vessels, like drywell air line, etc., - careful verification of input decks is needed, - stratification models in SPECTRA are useful for cases with light gas injection; for complex cases a complementary SPECTRA-CFD analysis may be performed. (author)

  13. Spreadsheet based analysis of Mössbauer spectra

    Energy Technology Data Exchange (ETDEWEB)

    Gunnlaugsson, H. P., E-mail: haraldur.p.gunnlaugsson@cern.ch [CERN, PH Div (Switzerland)

    2016-12-15

    Using spreadsheet programs to analyse spectral data opens up new possibilities in data analysis. The spreadsheet program contains all the functionality needed for graphical support, fitting and post processing of the results. Unconventional restrictions between fitting parameters can be set up freely, and simultaneous analysis i.e. analysis of many spectra simultaneously in terms of model parameters is straightforward. The free program package Vinda – used for analysing Mössbauer spectra – is described. The package contains support for reading data, calibration, and common functions of particular importance for Mössbauer spectroscopy (f-factors, second order Doppler shift etc.). Methods to create spectral series and support for error analysis is included. Different types of fitting models are included, ranging from simple Lorentzian models to complex distribution models.

  14. Fluctuation analysis of rotational spectra

    International Nuclear Information System (INIS)

    Doessing, T.; Bracco, A.; Broglia, R.A.; Matsuo, M.

    1996-01-01

    The compound state rotational degree of freedom is ''damped'' in the sense that the electric quadrupole decay of a single quantum state with angular momentum I exhibits a spectrum of final states all having spin I-2. In actual experiments, the cascade of γ-rays associated with each of the members of the ensemble of compound nuclei uses each of the ''discrete'' transitions many more times than the ''continuum'' transitions. Relatively large and small fluctuations in the recorded coincidence spectrum ensue, respectively. The analysis of the fluctuations will be shown to be instrumental to gain insight into the phenomenon of rotational damping. For this purpose, two- and higher-fold coincidence spectra emitted from rotating nuclei are analyzed with respect to the count fluctuations. The coincidences from consecutive γ-rays emitted from discrete rotational bands generate ridges in the E γ1 .E γ2 spectrum, and the fluctuation analysis of the ridges is based upon the ansatz of a random selection of transition energies from band to band. This ansatz is supported by a cranked mean-field calculation for the nucleus 168 Yb, as well as by analyzing resolved bands in 168 Yb and its neighbors. The fluctuation analysis of the central valley (E γ1 =E γ2 ) is based upon the ansatz of fluctuations in the intensity of the transitions of Porter-Thomas type superposed on a smooth spectrum of transition energies. This ansatz is again supported by a mixed-band calculation. The mathematical treatment of count fluctuations is formulated in general (orig.)

  15. Machine learning molecular dynamics for the simulation of infrared spectra.

    Science.gov (United States)

    Gastegger, Michael; Behler, Jörg; Marquetand, Philipp

    2017-10-01

    Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for vibrational anharmonic and dynamical effects - typically neglected by conventional quantum chemistry approaches - we base our machine learning strategy on ab initio molecular dynamics simulations. While these simulations are usually extremely time consuming even for small molecules, we overcome these limitations by leveraging the power of a variety of machine learning techniques, not only accelerating simulations by several orders of magnitude, but also greatly extending the size of systems that can be treated. To this end, we develop a molecular dipole moment model based on environment dependent neural network charges and combine it with the neural network potential approach of Behler and Parrinello. Contrary to the prevalent big data philosophy, we are able to obtain very accurate machine learning models for the prediction of infrared spectra based on only a few hundreds of electronic structure reference points. This is made possible through the use of molecular forces during neural network potential training and the introduction of a fully automated sampling scheme. We demonstrate the power of our machine learning approach by applying it to model the infrared spectra of a methanol molecule, n -alkanes containing up to 200 atoms and the protonated alanine tripeptide, which at the same time represents the first application of machine learning techniques to simulate the dynamics of a peptide. In all of these case studies we find an excellent agreement between the infrared spectra predicted via machine learning models and the respective theoretical and experimental spectra.

  16. Anomalous nuclear enhancement of inclusive spectra at large transverse momentum

    International Nuclear Information System (INIS)

    Krzywicki, Andre.

    1976-01-01

    A parton model interpretation of the anomalous nuclear enhancement of inclusive spectra, observed by Cronin et al is proposed. It seems that the picture representing a nucleus as a collection of quasi-free nucleons in slow relative motion is incorrect when the nucleus is probed during a very short time. This conjecture rests on an extension to nuclei of the Kuti and Weisskopf parton model. A list of observable predictions concerning both hadronic and leptonic interactions with nuclei is given [fr

  17. On the Regional Dependence of Earthquake Response Spectra

    OpenAIRE

    Douglas , John

    2007-01-01

    International audience; It is common practice to use ground-motion models, often developed by regression on recorded accelerograms, to predict the expected earthquake response spectra at sites of interest. An important consideration when selecting these models is the possible dependence of ground motions on geographical region, i.e., are median ground motions in the (target) region of interest for a given magnitude and distance the same as those in the (host) region where a ground-motion mode...

  18. Correcting attenuated total reflection-fourier transform infrared spectra for water vapor and carbon dioxide

    DEFF Research Database (Denmark)

    Bruun, Susanne Wrang; Kohler, Achim; Adt, Isabelle

    2006-01-01

    an absorption band from either water vapor or CO(2). From two calibration data sets, gas model spectra were estimated in each of the four spectral regions, and these model spectra were applied for correction of gas absorptions in two independent test sets (spectra of aqueous solutions and a yeast biofilm (C...... of the growing yeast biofilm, the gas correction revealed otherwise hidden variations of relevance for modeling the growth dynamics. As the presented method improved the interpretation of the principle component analysis (PCA) models, it has proven to be a valuable tool for filtering atmospheric variation in ATR...

  19. Area spectra of near extremal black holes

    International Nuclear Information System (INIS)

    Chen, Deyou; Yang, Haitang; Zu, Xiaotao

    2010-01-01

    Motivated by Maggiore's new interpretation of quasinormal modes, we investigate area spectra of a near extremal Schwarzschild-de Sitter black hole and a higher-dimensional near extremal Reissner-Nordstrom-de Sitter black hole. The result shows that the area spectra are equally spaced and irrelevant to the parameters of the black holes. (orig.)

  20. Composite Spectra Paper 1: HR 6902

    Indian Academy of Sciences (India)

    tribpo

    spectra; in many cases we have used the maximum width permitted by the optics of ... 10 mЕ, corresponding to 1 µm the plate, are the norm. ..... an inequality ..... on the spectra of HR 6902, we have thought it appropriate to weight the four ...

  1. Thermoluminescence spectra measured with a Michelson interferometer

    International Nuclear Information System (INIS)

    Haschberger, P.

    1991-01-01

    A Michelson interferometer was redesigned to prove its capabilities in the measurement of short-lived, low-intensity thermoluminescence spectra. Interferograms are collected during heating up the thermoluminescent probe in a heater plate. A personal computer controls the data acquisition and processes the Fourier transform. As the results show, even a comparatively simple and limited setup leads to relevant and reproducible spectra. (author)

  2. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.

    1983-01-01

    Wind velocity data obtained from a jet airliner are used to construct kinetic energy spectra over the range of wavelengths from 2.5 to 2500 km. The spectra exhibit an approximate -5/3 slope for wavelengths of less than about 150 km, steepening to about -2.2 at larger scales. These results support...

  3. Fermi liquid character in the photoemission/inverse photoemission spectra of highly correlated electron systems

    International Nuclear Information System (INIS)

    Riseborough, P.S.

    1990-01-01

    We calculate the photoemission/inverse photoemission spectrum for an N-fold degenerate Hubbard model, in the 1/N approximation. The spectra are broadened, and for sufficiently large Coulomb interaction strengths the spectra show satellites both in the photoemission and the brehmstrahlung isochromat spectroscopy portions of the spectra. The intensity of the spectra at the fermi level are equal to the noninteracting values, in accordance with Luttinger's theorem. We show that this can result in a temperature-dependent peak at the Fermi level; the width of the peak is governed by the quasi-particle lifetime. We relate the temperature dependent peak to the Fermi-liquid properties

  4. General Notes on Processes and Their Spectra

    Directory of Open Access Journals (Sweden)

    Gustav Cepciansky

    2012-01-01

    Full Text Available The frequency spectrum performs one of the main characteristics of a process. The aim of the paper is to show the coherence between the process and its own spectrum and how the behaviour and properties of a process itself can be deduced from its spectrum. Processes are categorized and general principles of their spectra calculation and recognition are given. The main stress is put on power spectra of electric and optic signals, as they also perform a kind of processes. These spectra can be directly measured, observed and examined by means of spectral analyzers and they are very important characteristics which can not be omitted at transmission techniques in telecommunication technologies. Further, the paper also deals with non electric processes, mainly with processes and spectra at mass servicing and how these spectra can be utilised in praxis.

  5. Theory of optical spectra of solvated electrons

    International Nuclear Information System (INIS)

    Kestner, N.R.

    1975-01-01

    During the last few years better theoretical models of solvated electron have been developed. These models allow one to calculate a priori the observable properties of the trapped electron. One of the most important and most widely determined properties is the optical spectrum. In this paper we consider the predictions of the theories not only as to the band maximum but line shape and width. In addition we will review how the theories predict these will depend on the solvent, pressure, temperature, and solvent density. In all cases extensive comparisons will be made with experimental work. In addition four new areas will be explored and recent results will be presented. These concern electrons in dense polar gases, the time development of the solvated electron spectrum, solvated electrons in mixed solvents, and photoelectron emission spectra (PEE) as it relates to higher excited states. This paper will review all recent theoretical calculations and present a critical review of the present status and future developments which are anticipated. The best theories are quite successful in predicting trends, and qualitative agreement concerning band maximum. The theory is still weak in predicting line shape and line width

  6. Theoretical studies on core-level spectra of solids

    International Nuclear Information System (INIS)

    Kotani, Akio

    1995-01-01

    I present a review on theoretical studies of core-level spectra (CLS) in solids. In CLS, the dynamical response of outer electrons to a core hole is reflected through the screening of core hole potential. Impurity Anderson model (IAM) or cluster model is successfully applied to the analysis of X-ray photoemission spectra (XPS) and X-ray absorption spectra (XAS) in f and d electron systems, where the f and d electron states are hybridized with the other valence or conduction electron states. The effect of the core-hole potential in the final state of XPS and XAS plays an important role, as well as the solid state hybridization and intra-atomic multiplet coupling effects. As typical examples, the calculated results for XPS of rare-earth compounds and transition metal compounds are shown, and some discussions are given. As a subject of remarkable progress with high brightness synchrotron radiation sources, I discuss some theoretical aspects of X-ray emission spectra (XES) and their resonant enhancement at the X-ray absorption threshold. Some experimental data and their theoretical analysis are also given. (author)

  7. Calculation of ground vibration spectra from heavy military vehicles

    Science.gov (United States)

    Krylov, V. V.; Pickup, S.; McNuff, J.

    2010-07-01

    The demand for reliable autonomous systems capable to detect and identify heavy military vehicles becomes an important issue for UN peacekeeping forces in the current delicate political climate. A promising method of detection and identification is the one using the information extracted from ground vibration spectra generated by heavy military vehicles, often termed as their seismic signatures. This paper presents the results of the theoretical investigation of ground vibration spectra generated by heavy military vehicles, such as tanks and armed personnel carriers. A simple quarter car model is considered to identify the resulting dynamic forces applied from a vehicle to the ground. Then the obtained analytical expressions for vehicle dynamic forces are used for calculations of generated ground vibrations, predominantly Rayleigh surface waves, using Green's function method. A comparison of the obtained theoretical results with the published experimental data shows that analytical techniques based on the simplified quarter car vehicle model are capable of producing ground vibration spectra of heavy military vehicles that reproduce basic properties of experimental spectra.

  8. Electronic spectra from TDDFT and machine learning in chemical space

    International Nuclear Information System (INIS)

    Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico; Lilienfeld, O. Anatole von

    2015-01-01

    Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities

  9. Electronic spectra from TDDFT and machine learning in chemical space

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)

    2015-08-28

    Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

  10. A Comparison Study for DNA Motif Modeling on Protein Binding Microarray

    KAUST Repository

    Wong, Ka-Chun; Li, Yue; Peng, Chengbin; Wong, Hau-San

    2015-01-01

    Transcription Factor Binding Sites (TFBSs) are relatively short (5-15 bp) and degenerate. Identifying them is a computationally challenging task. In particular, Protein Binding Microarray (PBM) is a high-throughput platform that can measure the DNA binding preference of a protein in a comprehensive and unbiased manner; for instance, a typical PBM experiment can measure binding signal intensities of a protein to all possible DNA k-mers (k=810). Since proteins can often bind to DNA with different binding intensities, one of the major challenges is to build motif models which can fully capture the quantitative binding affinity data. To learn DNA motif models from the non-convex objective function landscape, several optimization methods are compared and applied to the PBM motif model building problem. In particular, representative methods from different optimization paradigms have been chosen for modeling performance comparison on hundreds of PBM datasets. The results suggest that the multimodal optimization methods are very effective for capturing the binding preference information from PBM data. In particular, we observe a general performance improvement using di-nucleotide modeling over mono-nucleotide modeling. In addition, the models learned by the best-performing method are applied to two independent applications: PBM probe rotation testing and ChIP-Seq peak sequence prediction, demonstrating its biological applicability.

  11. A Comparison Study for DNA Motif Modeling on Protein Binding Microarray

    KAUST Repository

    Wong, Ka-Chun

    2015-06-11

    Transcription Factor Binding Sites (TFBSs) are relatively short (5-15 bp) and degenerate. Identifying them is a computationally challenging task. In particular, Protein Binding Microarray (PBM) is a high-throughput platform that can measure the DNA binding preference of a protein in a comprehensive and unbiased manner; for instance, a typical PBM experiment can measure binding signal intensities of a protein to all possible DNA k-mers (k=810). Since proteins can often bind to DNA with different binding intensities, one of the major challenges is to build motif models which can fully capture the quantitative binding affinity data. To learn DNA motif models from the non-convex objective function landscape, several optimization methods are compared and applied to the PBM motif model building problem. In particular, representative methods from different optimization paradigms have been chosen for modeling performance comparison on hundreds of PBM datasets. The results suggest that the multimodal optimization methods are very effective for capturing the binding preference information from PBM data. In particular, we observe a general performance improvement using di-nucleotide modeling over mono-nucleotide modeling. In addition, the models learned by the best-performing method are applied to two independent applications: PBM probe rotation testing and ChIP-Seq peak sequence prediction, demonstrating its biological applicability.

  12. Proton and alpha evaporation spectra in low energy 12C and 16O ...

    Indian Academy of Sciences (India)

    75 MeV. The spectra are compared with the statistical model calculations. The shapes of the calculated spectra are in agreement with experimental data except for the alpha spectrum in the 12C+93Nb reaction at 40 MeV. The observed evaporation bump is at ~2. MeV lower energy compared to the calculated one.

  13. Analysis of turbulence spectra in gas-liquid two-phase flow

    International Nuclear Information System (INIS)

    Kataoka, Isao; Besnard, D.C.; Serizawa, Akimi.

    1993-01-01

    An analysis was made on the turbulence spectra in bubbly flow. Basic equation for turbulence spectrum in bubbly flow was formulated considering the eddy disintegration induced by bubble. Based on the dimensional analysis and modeling of eddy disintegration by bubble, constitutive equations for eddy disintegration were derived. Using these equations, turbulence spectra in bubbly flow (showing -8/3 power) was successfully explained. (author)

  14. Proton and alpha evaporation spectra in low energy 12 C and 16 O ...

    Indian Academy of Sciences (India)

    The spectra are compared with the statistical model calculations. The shapes of the calculated spectra are in agreement with experimental data except for the alpha spectrum in the 12C+93Nb reaction at 40 MeV. The observed evaporation bump is at ∼ 2 MeV lower energy compared to the calculated one. This discrepancy ...

  15. The energy spectra of anomalous oxygen at the time of two successive solar minima

    CERN Document Server

    Kondratyeva, M A; Tretyakova, S P; Zhuravlev, D A

    1999-01-01

    The energy spectra of anomalous oxygen have been determined from nuclear track detectors exposed aboard the Earth-orbiting satellites at altitudes ranging from approx 250-400 km in two consecutive solar minimum periods of 1986-1987 and 1994-1995 with opposite polarity of the solar magnetic field. A comparison of the spectra shows no contradiction to current drift models.

  16. Unusual features of proton and α-spectra from low-energy heavy-ion ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 75; Issue 1. Unusual features ... Keywords. Proton and α-spectra; heavy-ion reaction; broad structures; nuclear level density. ... The broad structures in the -spectra cannot be fully explained within the statistical model even with the enhanced level density. In this case ...

  17. Fractal spectra in generalized Fibonacci one-dimensional magnonic quasicrystals

    Energy Technology Data Exchange (ETDEWEB)

    Costa, C.H.O. [Departamento de Fisica Teorica e Experimental, Universidade Federal do Rio grande do Norte, 59072-970 Natal-RN (Brazil); Vasconcelos, M.S., E-mail: manoelvasconcelos@yahoo.com.br [Escola de Ciencias e Tecnologia, Universidade Federal do Rio grande do Norte, 59072-970 Natal-RN (Brazil); Barbosa, P.H.R.; Barbosa Filho, F.F. [Departamento de Fisica, Universidade Federal do Piaui, 64049-550 Teresina-Pi (Brazil)

    2012-07-15

    In this work we carry out a theoretical analysis of the spectra of magnons in quasiperiodic magnonic crystals arranged in accordance with generalized Fibonacci sequences in the exchange regime, by using a model based on a transfer-matrix method together random-phase approximation (RPA). The generalized Fibonacci sequences are characterized by an irrational parameter {sigma}(p,q), which rules the physical properties of the system. We discussed the magnonic fractal spectra for first three generalizations, i.e., silver, bronze and nickel mean. By varying the generation number, we have found that the fragmentation process of allowed bands makes possible the emergence of new allowed magnonic bulk bands in spectra regions that were magnonic band gaps before, such as which occurs in doped semiconductor devices. This interesting property arises in one-dimensional magnonic quasicrystals fabricated in accordance to quasiperiodic sequences, without the need to introduce some deferent atomic layer or defect in the system. We also make a qualitative and quantitative investigations on these magnonic spectra by analyzing the distribution and magnitude of allowed bulk bands in function of the generalized Fibonacci number F{sub n} and as well as how they scale as a function of the number of generations of the sequences, respectively. - Highlights: Black-Right-Pointing-Pointer Quasiperiodic magnonic crystals are arranged in accordance with the generalized Fibonacci sequence. Black-Right-Pointing-Pointer Heisenberg model in exchange regime is applied. Black-Right-Pointing-Pointer We use a theoretical model based on a transfer-matrix method together random-phase approximation. Black-Right-Pointing-Pointer Fractal spectra are characterized. Black-Right-Pointing-Pointer We analyze the distribution of allowed bulk bands in function of the generalized Fibonacci number.

  18. Measuring Transmission Spectra from the Ground

    Science.gov (United States)

    Jordan, Andres; Espinoza, Nestor; Eyheramendy, Susana

    2015-08-01

    Transmission spectroscopy allows study of the atmospheres of exoplanets without the need of spatially resolving them from their parent stars and is one of the most valuable follow-up possibilities offered by transiting systems. The measurement of a transmission spectrum, i.e. the apparent planetary size in units in the stellar radius as a function of wavelength, is conceptually simple, but the expected features that need to be discerned are on the order of one part in a thousand or less, and need to be extracted against a background of (potentially correlated) noise and systematic effects with amplitudes greatly exceeding that of the sought signal. In this talk I will describe how we have tackled the estimation of transmission spectra in a ground based survey we are carrying out with IMACS at Las Campanas Observatory, the Arizona-CfA-Catolica Exoplanet Spectroscopy Survey. Our treatment assumes an additive model consisting of the signal, common systematics and one of a set of stochastic processes with different memory characteristics for the noise. Common systematics are estimated from comparison stars using principal component analysis and the model parameter posterior distributions are estimated using MCMC. Model comparison is used to let the data select the model with the most appropriate noise component. I will illustrate the performance of our approach, and discuss possible avenues of improvement. I will also illustrate the importance of potential biases arising from our incomplete knowledge of stellar properties. In particular, I will show that limb darkening assumptions can limit the accuracy of our estimates of planetary radii above the achievable precisions in regimes currently being probed.

  19. Non-LTE Stellar Population Synthesis of Globular Clusters Using Synthetic Integrated Light Spectra. I. Constructing the IL Spectra

    Science.gov (United States)

    Young, Mitchell. E.; Short, C. Ian

    2017-02-01

    We present an investigation of the globular cluster population synthesis method of McWilliam & Bernstein, focusing on the impact of non-LTE (NLTE) modeling effects and color-magnitude diagram (CMD) discretization. Johnson-Cousins-Bessel U - B, B-V, V-I, and J-K colors are produced for 96 synthetic integrated light (IL) spectra with two different discretization prescriptions and three degrees of NLTE treatment. These color values are used to compare NLTE- and LTE-derived population ages. Relative contributions of different spectral types to the IL spectra for different wavebands are measured. IL NLTE spectra are shown to be more luminous in the UV and optical than LTE spectra, but show stronger absorption features in the IR. The main features showing discrepancies between NLTE and LTE IL spectra may be attributed to light metals, primarily Fe I, Ca I, and Ti I, as well as TiO molecular bands. Main-sequence stars are shown to have negligible NLTE effects at IR wavelengths compared to more evolved stars. Photometric color values are shown to vary at the millimagnitude level as a function of CMD discretization. Finer CMD sampling for the upper main sequence and turnoff, base of the red giant branch, and the horizontal branch minimizes this variation. Differences in ages derived from LTE and NLTE IL spectra are found to range from 0.55 to 2.54 Gyr, comparable to the uncertainty in GC ages derived from color indices with observational uncertainties of 0.01 mag, the limiting precision of the Harris catalog.

  20. Theoretical White Dwarf Spectra on Demand: TheoSSA

    Science.gov (United States)

    Ringat, E.; Rauch, T.

    2010-11-01

    In the last decades, a lot of progress was made in spectral analysis. The quality (e.g. resolution, S/N ratio) of observed spectra has improved much and several model-atmosphere codes were developed. One of these is the ``Tübingen NLTE Model-Atmosphere Package'' (TMAP), that is a highly developed program for the calculation of model atmospheres of hot, compact objects. In the framework of the German Astrophysical Virtual Observatory (GAVO), theoretical spectral energy distributions (SEDs) can be downloaded via TheoSSA. In a pilot phase, TheoSSA is based on TMAP model atmospheres. We present the current state of this VO service.

  1. CH{sub 3} and CD{sub 3} radicals isolated in argon: high resolution ESR spectra and analysis by three-dimensional quantum rotor model. A case study of low temperature quantum effects on radicals

    Energy Technology Data Exchange (ETDEWEB)

    Shiotani, Masaru; Yamada, Tomoya; Komaguchi, Kenji [Hiroshima Univ., Higashi-Hiroshima (Japan). Faculty of Engineering; Benetis, N.P.; Lund, A.; Soernes, A.R.

    1998-10-01

    The present study deals with high resolution isotropic ESR spectra of the CH{sub 3} and CD{sub 3} radicals isolated in solid argon matrix at low temperature from 4 K to 40 K. Argon gases mixed with methane (Ar/methane {approx_equal} 500 mole ratio) were condensed at the end of Suprasile ESR tube at 4.2 K. Methyl radicals were generated by X-ray irradiation at 4 K and subjected to an ESR study. The 6.0 K ESR spectrum of the CH{sub 4}/Ar system is shown in Fig. 1. For CH{sub 3} radical the {sup 1}H hyperfine (hf) quartet was observed with an equal intensity (A-lines). The E-lines were absent at 4 K, but became visible at m{sub F} = {+-}1/2 positions above 12 K increased with temperature. The CD{sub 3} gave a peculiar spectrum at 4 K with an abnormally strong central singlet superimposed on a much weaker seven line spectrum of a freely rotating CD{sub 3}. The temperature dependent spectra showed clear quantum effects due to three-dimensional spin-rotation couplings. The spectra were analyzed with the following assumptions: (a) a planar D{sub 3} geometry, (b) a free and three-dimensional quantum rotation and (c) a thermally isolated radical. Application of the Pauli principle in combination to the D{sub 3} point group resulted in interesting selections for ESR-transitions for both the CH{sub 3} and CD{sub 3} spectra. That is, the {sup 1}H hf quartet of CH{sub 3} radical (A-lines) was attributed to the rotational ground state, J=0, with totally symmetric A{sub 1} nuclear states. The central strong singlet of CD{sub 3} was attributed to one spin-rotation state with A{sub 2} antisymmetric nuclear states at the lowest rotational level of J=0. (author)

  2. Method of spectra parametrization of (n, x) and (n, nx) reactions induced by DT-neutrons

    International Nuclear Information System (INIS)

    Aleksandrov, D.V.; Kovrigin, B.S.

    1980-01-01

    A method for parmetrization of experimental spectra has been developed for more convenient carrying out a process of separating competing mechanisms contributions in spectra of the (n, x) and (n, nx) reactions induced with DT neutrons. Differential cross sections of competing partial processes are used. as expanding coefficients. Model spectra may be represented in the form of tabulated-given functions calculated separately from formulae of any complexity degree. Fit of model expressions is performed by the least square method (lsm). Step-by-step algorithm of nonlinear optimization is used for search for lsm- evaluations of theoretical models parameters [ru

  3. Scaling properties of the transverse mass spectra

    International Nuclear Information System (INIS)

    Schaffner-Bielich, J.

    2002-01-01

    Motivated from the formation of an initial state of gluon-saturated matter, we discuss scaling relations for the transverse mass spectra at BNL's relativistic heavy-ion collider (RHIC). We show on linear plots, that the transverse mass spectra for various hadrons can be described by an universal function in m t . The transverse mass spectra for different centralities can be rescaled into each other. Finally, we demonstrate that m t -scaling is also present in proton-antiproton collider data and compare it to m t -scaling at RHIC. (orig.)

  4. IRAS low-resolution spectra of galaxies

    International Nuclear Information System (INIS)

    Cohen, M.; Volk, K.

    1989-01-01

    The spectra of external galaxies are selected and extracted from the IRAS LRS database. Twenty-one objects present viable spectra. One is a peculiar star-forming E-S0 galaxy. The remainder are all starburst or H II region galaxies. Their average spectrum demonstrates the importance of the PAH emission bands in the 8-23-micron region and reinforces the conclusion reached from ground-based spectra, that there is a strong correlation between the PAH bands and the starburst or H II region character of a galaxy. 32 refs

  5. Parametrization relating the fermionic mass spectra

    International Nuclear Information System (INIS)

    Kleppe, A.

    1993-01-01

    When parametrizing the fermionic mass spectra in terms of the unit matrix and a recursive matrix scrR 0 , which corresponds to an underlying scaling pattern in the mass spectra, each fermionic sector is characterized by three parameters: k, α, and R. Using the set of relations displayed by the parameters of the different sectors, it is possible to formulate a ''family Lagrangian'' which for each sector encompasses all the families. Relations between quark masses are furthermore deduced from these ''family Lagrangians.'' Using the relations between the parameters of the different charge sectors, it is also possible to ''derive'' the quark mass spectra from the (charged) leptonic mass spectrum

  6. Evaluation of methods used for the direct generation of response spectra

    International Nuclear Information System (INIS)

    Mayers, R.L.; Muraki, T.; Jones, L.R.; Donikian, R.

    1983-01-01

    The paper presents an alternate methodology by which seismic in-structure response spectra may be generated directly from either ground or floor excitation spectra. The method is based upon stochastic concepts and utilizes the modal superposition solution. The philosophy of the method is based upon the notion that the evaluation of 'peak' response in uncertain excitation environments is only meaningful in a probabilistic sense. This interpretation of response spectra facilitates the generation of in-structure spectra for any non-exceedance probability (NEP). The method is validated by comparisons with a set of deterministic time-history analyses with three example models: an eleven-story building model, a containment structure stick model, and a floor mounted control panel, subjected to ten input spectrum compatible acceleration time-histories. A significant finding resulting from these examples is that the time-history method portrayed substantial variation in the resulting in-structure spectra, and therefore is unreliable for the generation of spectra. It is shown that the average of the time-history generated spectra can be estimated by the direct generation procedure, and reliable spectra may be generated for 85 NEP levels. The methodology presented herein is shown to be valid for both primary and secondary systems. Also included in the paper, is a review of the stochastic methods proposed by Singh and Der Kiureghian et. al., and the Fourier transform method proposed by Scanlan et al. (orig./HP)

  7. Can blueshifted Agn spectra explain B L Lac objects

    International Nuclear Information System (INIS)

    Basu, D.

    2009-01-01

    B L Lac spectra are almost completely devoid of any emission line, and absorption features are often present based on which redshifts are estimated. Several models have been proposed to explain the spectra, including the unification scheme currently most popular among astronomers. However, there appear to be ambiguities, uncertainties and contradictory results in this model, and many questions remain unanswered. Also, it involves the process of artificially enhancing the continuum to be concentrated to a high level, by the relativistically beaming jet action, in order to submerge the emission lines, partly or completely, to make them appear weak or invisible. Additionally, the sample based on which B L Lac objects have been included in the unification scheme is rather small to be statistically viable. In this context, we present an alternative and much simpler interpretation of the observed spectra of B L Lac objects, both emission and absorption, as blueshifted lines in Agn. Original spectra of fifty six objects available in the current literature are re-analyzed. Nine of these show only a single weak emission line and no absorption feature, while thirty five exhibit no emission feature but several absorption lines, and another twelve show more than one emission line and, in some cases, several absorption lines. It is demonstrated that emission lines in most B L Lac objects are blueshifted out of the visible region, and, hence, not seen at all. Emission lines, when seen, and absorption lines, are blueshifted and are identified with search lines of longer wavelengths that are naturally weak. Blue shifts, in emission and absorption features, are determined for all objects. Various considerations lead to the conclusion that the blue shift interpretation of B L Lac spectra is superior to and more important than the redshift interpretation. A possible explanation of observed blue shifts is presented in the scenario of the ejection process, a well-recognized mechanism

  8. Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films

    Science.gov (United States)

    Mukhopadhyay, D.; Soos, Z. G.

    1996-01-01

    Vibronic structure of nonlinear optical (NLO) coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states. The displacements of backbone modes of conjugated polymers are taken from vibrational data on the ground and 1B excited state. NLO resonances are modeled by three excitations and transition moments taken from Pariser-Parr-Pople (PPP) theory and optimized to polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton. The joint analysis of third-harmonic-generation, two-photon absorption, and nondegenerate four-wave-mixing spectra of PDA crystals and films shows weak two-photon absorption to 2A below 1B, leading to overlapping resonances in the THG spectrum, strong two-photon absorption to an nA state some 35% above 1B, and weak Raman resonances in nondegenerate FWM spectra. The full π-π* spectrum contributes to Stark shifts and field-induced transitions, as shown by PPP results for PDA oligomers. The Stark shift dominates high-resolution electroabsorption (EA) spectra of PDA crystals below 10 K. The close correspondence between EA and the first-derivative I'(ω) of the linear absorption above the 1B exciton in PDA crystals provides an experimental separation of vibrational and electronic contributions that limits any even-parity state in this 0.5 eV interval. An oscillator-strength sum rule is applied to the convergence of PDA oligomers with increasing length, N, and the crystal oscillator strengths are obtained without adjustable parameters. The sum rule for the 1B exciton implies large transition moments to higher-energy Ag states, whose locations in recent models are contrasted to PPP results. Joint analysis of NLO and EA spectra clarifies when a few electronic excitations are sufficient, distinguishes between vibrational and electronic contributions, and supports similar π-electron interactions in conjugated molecules and polymers.

  9. System of pattern analysis of PIXE spectra

    Energy Technology Data Exchange (ETDEWEB)

    Murozono, K; Iwasaki, S; Inoue, J; Ishii, K; Kitamura, M [Tohoku Univ., Sendai (Japan). Faculty of Engineering; Sera, K; Futatsugawa, S

    1996-07-01

    We have developed an analysis system based on the pattern analysis method. By testing the system, several difficulties of the present method have been identified. We found the following solutions for them: pre-selection of candidate elements in a sample and the use of a proper absorber. The pre-selection of the candidate elements will not be a serious drawback in the industrial PIXE, because it will be easy to pre-process the spectra for a few samples in the beginning of the mass processing of samples of the same kind. On the other hand, reduction of the efficiency due to the use of funny filter is significant only in the lower energy region, where we usually do not suffer from insufficient yields of lighter elements in common samples. The selection of the most suitable filter requires PIXE user to be deeply experienced. In particular, it is not easy to choose the best filter to suppress the yield of peak of an abundant element as the absorption edge filter. It will be important task to find a set of suitable combination of representative samples and corresponding filters. Furthermore, the peak profile model should be improved from the simple Gaussian approximation to more realistic ones with exponential tail, flat component below the peak and escape peaks, etc. It is also necessary to develop a theoretical approach for the background shape of the bremsstrahlung. (J.P.N.)

  10. Modeling Photoelectron Spectra of CuO, Cu2O, and CuO2 Anions with Equation-of-Motion Coupled-Cluster Methods: An Adventure in Fock Space.

    Science.gov (United States)

    Orms, Natalie; Krylov, Anna I

    2018-04-12

    The experimental photoelectron spectra of di- and triatomic copper oxide anions have been reported previously. We present an analysis of the experimental spectra of the CuO - , Cu 2 O - , and CuO 2 - anions using equation-of-motion coupled-cluster (EOM-CC) methods. The open-shell electronic structure of each molecule demands a unique combination of EOM-CC methods to achieve an accurate and balanced representation of the multiconfigurational anionic- and neutral-state manifolds. Analysis of the Dyson orbitals associated with photodetachment from CuO - reveals the strong non-Koopmans character of the CuO states. For the lowest detachment energy, a good agreement between theoretical and experimental values is obtained with CCSD(T) (coupled-cluster with single and double excitations and perturbative account of triple excitations). The (T) correction is particularly important for Cu 2 O - . Use of a relativistic pseudopotential and matching basis set improves the quality of results in most cases. EOM-DIP-CCSD analysis of the low-lying states of CuO 2 - reveals multiple singlet and triplet anionic states near the triplet ground state, adding an extra layer of complexity to the interpretation of the experimental CuO 2 - photoelectron spectrum.

  11. Spectra of random networks in the weak clustering regime

    Science.gov (United States)

    Peron, Thomas K. DM.; Ji, Peng; Kurths, Jürgen; Rodrigues, Francisco A.

    2018-03-01

    The asymptotic behavior of dynamical processes in networks can be expressed as a function of spectral properties of the corresponding adjacency and Laplacian matrices. Although many theoretical results are known for the spectra of traditional configuration models, networks generated through these models fail to describe many topological features of real-world networks, in particular non-null values of the clustering coefficient. Here we study effects of cycles of order three (triangles) in network spectra. By using recent advances in random matrix theory, we determine the spectral distribution of the network adjacency matrix as a function of the average number of triangles attached to each node for networks without modular structure and degree-degree correlations. Implications to network dynamics are discussed. Our findings can shed light in the study of how particular kinds of subgraphs influence network dynamics.

  12. Power spectra of currents off Bombay

    Digital Repository Service at National Institute of Oceanography (India)

    Varkey, M.J.

    Current measurements were carried out using a recording current meter across the continental shelf off Bombay, Maharashtra, India at 4 stations from an anchored ship. Power spectra were computed for selected lengths of records. Spectral energy...

  13. Contribution to the study of turbulence spectra

    Science.gov (United States)

    Dumas, R.

    1979-01-01

    An apparatus suitable for turbulence measurement between ranges of 1 to 5000 cps and from 6 to 16,000 cps was developed and is described. Turbulence spectra downstream of the grills were examined with reference to their general characteristics, their LF qualities, and the effects of periodic turbulence. Medium and HF are discussed. Turbulence spectra in the boundary layers are similarly examined, with reference to their fluctuations at right angles to the wall, and to lateral fluctuations. Turbulence spectra in a boundary layer with suction to the wall is discussed. Induced turbulence, and turbulence spectra at high Reynolds numbers. Calculations are presented relating to the effect of filtering on the value of the correlations in time and space.

  14. Experimental phase diagram for random laser spectra

    International Nuclear Information System (INIS)

    El-Dardiry, Ramy G S; Mooiweer, Ronald; Lagendijk, Ad

    2012-01-01

    We systematically study the presence of narrow spectral features in a wide variety of random laser samples. Less gain or stronger scattering are shown to lead to a crossover from spiky to smooth spectra. A decomposition of random laser spectra into a set of Lorentzians provides unprecedented detail in the analysis of random laser spectra. We suggest an interpretation in terms of mode competition that enables an understanding of the observed experimental trends. In this interpretation, smooth random laser spectra are a consequence of competing modes for which the loss and gain are proportional. Spectral spikes are associated with modes that are uncoupled from the mode competition in the bulk of the sample. (paper)

  15. On two-spectra inverse problems

    OpenAIRE

    Guliyev, Namig J.

    2018-01-01

    We consider a two-spectra inverse problem for the one-dimensional Schr\\"{o}dinger equation with boundary conditions containing rational Herglotz--Nevanlinna functions of the eigenvalue parameter and provide a complete solution of this problem.

  16. Noisy time-dependent spectra

    International Nuclear Information System (INIS)

    Shore, B.W.; Eberly, J.H.

    1983-01-01

    The definition of a time-dependent spectrum registered by an idealized spectrometer responding to a time-varying electromagnetic field as proposed by Eberly and Wodkiewicz and subsequently applied to the spectrum of laser-induced fluorescence by Eberly, Kunasz, and Wodkiewicz is here extended to allow a stochastically fluctuating (interruption model) environment: we provide an algorithm for numerical determination of the time-dependent fluorescence spectrum of an atom subject to excitation by an intense noisy laser and interruptive relaxation

  17. Electronic energy spectra in antiferromagnetic media with broken reciprocity

    International Nuclear Information System (INIS)

    Vitebsky, I.; Edelkind, J.; Bogachek, E.N.; Scherbakov, A.G.; Landman, U.

    1997-01-01

    Electronic energy spectra var-epsilon(q) of antiferromagnetically ordered media may display nonreciprocity; that is, the energies corresponding to Bloch states with wave numbers q and -q may be different. In this paper a simple Kronig-Penney model, which includes a staggered microscopic magnetic and electric fields of the proper symmetry, is employed to estimate the magnitude of nonreciprocity effects in systems such as antiferromagnetically ordered crystals as well as periodical layered structures. copyright 1997 The American Physical Society

  18. Sophisticated visualization algorithms for analysis of multidimensional experimental nuclear spectra

    International Nuclear Information System (INIS)

    Morhac, M.; Kliman, J.; Matousek, V.; Turzo, I.

    2004-01-01

    This paper describes graphical models of visualization of 2-, 3-, 4-dimensional scalar data used in nuclear data acquisition, processing and visualization system developed at the Institute of Physics, Slovak Academy of Sciences. It focuses on presentation of nuclear spectra (histograms). However it can be successfully applied for visualization of arrays of other data types. In the paper we present conventional as well as new developed surface and volume rendering visualization techniques used (Authors)

  19. Real space renormalization group for spectra and density of states

    International Nuclear Information System (INIS)

    Wiecko, C.; Roman, E.

    1984-09-01

    We discuss the implementation of the Real Space Renormalization Group Decimation Technique for 1-d tight-binding models with long range interactions with or without disorder and for the 2-d regular square lattice. The procedure follows the ideas developed by Southern et al. Some new explicit formulae are included. The purpose of this study is to calculate spectra and densities of states following the procedure developed in our previous work. (author)

  20. Generation of synthetic gamma spectra with MATLAB

    International Nuclear Information System (INIS)

    Palmerio, Julian J.; Coppo, Anibal D.

    2009-01-01

    Objectives: The aim of this work is the simulation of gamma spectra using the MATLAB program to generate the calibration curves in efficiency, which will be used to measure radioactive waste in drums. They are necessary for the proper characterization of these drums. A Monte Carlo simulation was basically developed with the random number generator Mersenne Twister and nuclear data obtained from NIST. This paper shows the results obtained and difficulties encountered until today. The physical correction of the simulated spectra has been the only aspect we have been working, up to this moment. Procedures: A simplified representation of the 'Laboratorio de Verificacion y Control de la Calidad' was chosen. Drums with cemented liquid waste are routinely measured in this laboratory. The commercial program MCNP was also used to get a valid reference in the field of simulation of spectra. We analyzed the spectra obtained by MATLAB in the light of classical literature photon detection and the spectrum obtained by MCNP. Conclusions: Currently the program developed seems adequate to simulate a measurement in the 'Laboratorio de Verificacion y Control de la Calidad'. The spectra obtained by MATLAB seem to physically represent what is observed in real spectra. However, it is a slow program. The current development efforts are directed to improve the speed of simulation. An alternative is to use the CUDA language for NVIDIA video cards to parallelized the simulation. An adequate simulation of the electronic measuring chain is also needed to obtain better representations of the shapes of the peaks. (author)