Gene expression analysis of enzymes of the carotenoid biosynthesis pathway involved in β-cryptoxanthin accumulation in wild raspberry, Rubus palmatus.

PubMed

Mizuno, Kouichi; Tokiwano, Tetsuo; Yoshizawa, Yuko

2017-03-18

β-cryptoxanthin (β-Cry), a xanthophyll, is unlike other abundant carotenoids, such as α-carotene, β-carotene, lycopene, lutein, and zeaxanthin. It is not found in most fruits or vegetables but is found only in specific fruits, such as hot chili pepper, persimmon, and citrus fruits. Because recent reports suggest that β-Cry intake is beneficial to human health, the xanthophyll requires further investigation. Although β-Cry accumulates in the fruit of wild raspberry, Rubus palmatus, it is not present in cultivated raspberry. In the present study, two wild raspberry species were studied-R. palmatus, which accumulates β-Cry in the fruit, and R. crataegifolius, which does not accumulate β-Cry. Four carotenoid biosynthetic enzymes derived from these two species were analyzed-phytoene synthase (PSY), lycopene β-cyclase (LCYb), β-carotene hydroxylase (HYb), and zeaxanthin epoxidase (ZEP). Expression levels of their genes were also assessed to elucidate mechanism underlying β-Cry accumulation. Partial gene sequences of RubPSY, RubLCYb, RubHYb, and RubZEP, isolated from immature raspberry fruits of R. palmatus, were used as probes for Northern blot analysis. RubZEP expression ceased as the fruits matured, possibly because of reduced production of zeaxanthin. β-Cry is considered to be an intermediate compound that accumulates in the mature fruits of R. palmatus. High expression of RubPSY was detectable in the mature fruits of R. crataegifolius, and the expression of RubLCYb, RubHYb, and RubZEP was detectable during all stages of fruit maturation. In contrast, β-Cry was absent in the mature fruits of R. crataegifolius. Copyright © 2017 Elsevier Inc. All rights reserved.

[Development of a novel real-time PCR method for detection of HSV types 1 and 2 DNA using HybProbe chemistry].

PubMed

Chudzik, Emilia; Karabin, Karolina; Dzieciątkowski, Tomasz; Majewska, Anna; Przybylski, Maciej; Midak-Siewirska, Anna; Łuczak, Mirosław; Młynarczyk, Grazyna

2010-01-01

Herpes simplex viruses types 1 and 2 are members of the Alphaherpesviridae subfamily, as they can infect both skin and nerves and develop latent infection within the dorsal root and trigeminal ganglia. Infections with these viruses are common worldwide and cause wide range of clinical syndromes. Although HSV-1/2 infect healthy children and adults, disease is more severe and extensive in the immunocompromised individuals and/or during neuroinfections. The aim of the study was development of real-time PCR assay for detection and differentiation of herpes simplex viruses type 1 and 2. DNA in clinical samples, using specific dual-channel HybProbe chemistry. The nalytical sensitivity of assay was tested using serial dilutions of HSV-1 and HSV-2 DNA in range between 10 degrees and 10(-5). (4.35 x 10(5)-4.00 x 10(2) copies/ml and 4.18 x 10(5)-3.82 x 10(2) copies/ml, respectively). Thirty four cell line isolates and sixteen clinical samples taken from a group of adult patients with neurological signs were tested for the presence of HSV-1/2 DNA in the LightCycler instrument. Described in-house real-time PCR assay detected herpesviral DNA in all cell line isolates (31 of them were HSV-1 positive; 3 were HSV-2 positive) and in 10 clinical samples (positive only for HSV-1). The conclusion is that developed HybProbe-based real-time PCR test is very reliable and valuable tool for detection and differentiation of HSV-1/2 viremia in different kind of samples. The high level of sensitivity and accuracy provided by this assay is favorable for the quantification of herpes simplex virus 1 and 2 DNA in clinical specimens, especially during low-copy infections.

Distribution of Volatile Composition in 'Marion' (Rubus Species Hyb) Blackberry Pedigree

USDA-ARS?s Scientific Manuscript database

Fruit of 'Marion', as well as those of 'Marion's parents, grandparents, great grandparents and great-great grandparents that were available were evaluated for the volatiles that impact flavor. These various parents include blackberries from several species, raspberry and raspberry-blackberry hybrid...

Bridge-in-a-Backpack(TM). Task 3 : investigation of durability enhancements relative to abrasion from ice and other sources.

DOT National Transportation Integrated Search

2013-02-01

The arch-shaped concrete filled fiber reinforced polymer tube bridges are being constructed throughout New : England and elsewhere. The composite system durability and maintenance requirements need to be evaluated. For : this study, an asymmetric hyb...

Detection of mixed virus population in freesea plants with necrotic disease

USDA-ARS?s Scientific Manuscript database

Necrotic disorder of freesia (Freesia refracta hyb., Family Iridaceae) was first described in The Netherlands before 1970. In subsequent years, the disorder was widely reported in other European countries and more recently also in the United States and in New Zealand. The presence of the Ophiovirus ...

Effects of delayed winter harvest on biomass yield and quality of napiergrass and energycane

USDA-ARS?s Scientific Manuscript database

Napiergrass (Cenchrus purpureus Schumach) and energycane (Saccharum hyb.) are high-yielding perennial grasses that are well-suited for biomass production in the southeast USA. The purpose of this study was to determine the effects of delayed winter harvest on biomass yield and quality of these two ...

Structure of a [NiFe] hydrogenase maturation protease HycI provides insights into its substrate selectivity.

PubMed

Kwon, Sunghark; Nishitani, Yuichi; Hirao, Yoshinori; Kanai, Tamotsu; Atomi, Haruyuki; Miki, Kunio

2018-04-15

The immature large subunit of [NiFe] hydrogenases undergoes C-terminal cleavage by a specific protease in the final step of the post-translational process before assembly with other subunits. It has been reported that the [NiFe] hydrogenase maturation protease HycI from Thermococcus kodakarensis (TkHycI) has the catalytic ability to target the membrane-bound hydrogenase large subunit MbhL from T. kodakarensis. However, the detailed mechanism of its substrate recognition remains elusive. We determined the crystal structure of TkHycI at 1.59 Å resolution to clarify how TkHycI recognizes its own substrate MbhL. Although the overall structure of TkHycI is similar to that of its homologous protease TkHybD, TkHycI adopts a larger loop than TkHybD, thereby creating a broad and deep cleft. We analyzed the structural properties of the TkHycI cleft probably involved in its substrate recognition. Our findings provide novel and profound insights into the substrate selectivity of TkHycI. Copyright © 2018 Elsevier Inc. All rights reserved.

Conditions of High Resolution Melting Analysis on the Cobas z480 Instrument for the Genotyping of VKORC1 in the Clinical Routine Laboratory.

PubMed

Paar, Christian; Hammerl, Verena; Blessberger, Hermann; Stekel, Herbert; Steinwender, Clemens; Berg, Jörg

2016-12-01

High resolution melting (HRM) of amplicons is a simple method for genotyping of single nucleotide polymorphisms (SNPs). Albeit many applications reported, HRM seems to be rarely used in clinical laboratories. The suitability of HRM-PCR for the clinical laboratory was investigated for genotyping of SNPs of the vitamin K epoxide reductase complex unit 1 gene. About 100 DNA samples were analyzed by two different HRM-PCRs on the Cobas z480 instrument and compared with a PCR with fluorescently labeled probes (HybProbe-PCR) on the LightCycler 2.0 instrument as reference. Reliable genotyping with 100% matching results was obtained, when the amplicon size was small (63 bp) and DNA input was limited by e.g., sample dilution with salt-free water. DNA extracted by differing methods may be used for genotyping by HRM-PCR. Compared with HybProbe-PCR, HRM-PCR on the Cobas z480 instrument allows for higher through-put, however, at the cost of a higher degree of laboratory standardization and a slower turnaround.

A multi-frequency receiver function inversion approach for crustal velocity structure

NASA Astrophysics Data System (ADS)

Li, Xuelei; Li, Zhiwei; Hao, Tianyao; Wang, Sheng; Xing, Jian

2017-05-01

In order to constrain the crustal velocity structures better, we developed a new nonlinear inversion approach based on multi-frequency receiver function waveforms. With the global optimizing algorithm of Differential Evolution (DE), low-frequency receiver function waveforms can primarily constrain large-scale velocity structures, while high-frequency receiver function waveforms show the advantages in recovering small-scale velocity structures. Based on the synthetic tests with multi-frequency receiver function waveforms, the proposed approach can constrain both long- and short-wavelength characteristics of the crustal velocity structures simultaneously. Inversions with real data are also conducted for the seismic stations of KMNB in southeast China and HYB in Indian continent, where crustal structures have been well studied by former researchers. Comparisons of inverted velocity models from previous and our studies suggest good consistency, but better waveform fitness with fewer model parameters are achieved by our proposed approach. Comprehensive tests with synthetic and real data suggest that the proposed inversion approach with multi-frequency receiver function is effective and robust in inverting the crustal velocity structures.

Accumulation of Carotenoids and Expression of Carotenoid Biosynthetic Genes during Maturation in Citrus Fruit1

PubMed Central

Kato, Masaya; Ikoma, Yoshinori; Matsumoto, Hikaru; Sugiura, Minoru; Hyodo, Hiroshi; Yano, Masamichi

2004-01-01

The relationship between carotenoid accumulation and the expression of carotenoid biosynthetic genes during fruit maturation was investigated in three citrus varieties, Satsuma mandarin (Citrus unshiu Marc.), Valencia orange (Citrus sinensis Osbeck), and Lisbon lemon (Citrus limon Burm.f.). We cloned the cDNAs for phytoene synthase (CitPSY), phytoene desaturase (CitPDS), ζ-carotene (car) desaturase (CitZDS), carotenoid isomerase (CitCRTISO), lycopene β-cyclase (CitLCYb), β-ring hydroxylase (CitHYb), zeaxanthin (zea) epoxidase (CitZEP), and lycopene ε-cyclase (CitLCYe) from Satsuma mandarin, which shared high identities in nucleotide sequences with Valencia orange, Lisbon lemon, and other plant species. With the transition of peel color from green to orange, the change from β,ε-carotenoid (α-car and lutein) accumulation to β,β-carotenoid (β-car, β-cryptoxanthin, zea, and violaxanthin) accumulation was observed in the flavedos of Satsuma mandarin and Valencia orange, accompanying the disappearance of CitLCYe transcripts and the increase in CitLCYb transcripts. Even in green fruit, high levels of β,ε-carotenoids and CitLCYe transcripts were not observed in the juice sacs. As fruit maturation progressed in Satsuma mandarin and Valencia orange, a simultaneous increase in the expression of genes (CitPSY, CitPDS, CitZDS, CitLCYb, CitHYb, and CitZEP) led to massive β,β-xanthophyll (β-cryptoxanthin, zea, and violaxanthin) accumulation in both the flavedo and juice sacs. The gene expression of CitCRTISO was kept low or decreased in the flavedo during massive β,β-xanthophyll accumulation. In the flavedo of Lisbon lemon and Satsuma mandarin, massive accumulation of phytoene was observed with a decrease in the transcript level for CitPDS. Thus, the carotenoid accumulation during citrus fruit maturation was highly regulated by the coordination of the expression among carotenoid biosynthetic genes. In this paper, the mechanism leading to diversity in β,β-xanthophyll compositions between Satsuma mandarin and Valencia orange was also discussed on the basis of the substrate specificity of β-ring hydroxylase and the balance of expression between upstream synthesis genes (CitPSY, CitPDS, CitZDS, and CitLCYb) and downstream synthesis genes (CitHYb and CitZEP). PMID:14739348

Solution structure and backbone dynamics of an endopeptidase HycI from Escherichia coli: implications for mechanism of the [NiFe] hydrogenase maturation.

PubMed

Yang, Fan; Hu, Wei; Xu, Huimin; Li, Congmin; Xia, Bin; Jin, Changwen

2007-02-09

[NiFe] hydrogenases are metalloenzymes involved in many biological processes concerning the metabolism of hydrogen. The maturation of the large subunit of these hydrogenases requires the cleavage of a peptide at the C terminus by an endopeptidase before the final formation of the [NiFe] metallocenter. HycI is an endopeptidase of the M52 family and responsible for the C-terminal cleavage of the large subunit of hydrogenase 3 in Escherichia coli. Although extensive studies were performed, the molecular mechanism of recognition and cleavage of hydrogenase 3 remains elusive. Herein, we report the solution structure of E. coli HycI determined by high resolution nuclear magnetic resonance spectroscopy. This is the first solution structure of the apo form of endopeptidase of the M52 family reported thus far. The overall structure is similar to the crystal structure of holo-HybD in the same family. However, significant diversity was observed between the two structures. Especially, HycI shows an open conformation at the putative nickel-binding site, whereas HybD adopts a closed conformation. In addition, we performed backbone dynamic studies to probe the motional properties of the apo form of HycI. Furthermore, the metal ion titration experiments provide insightful information on the substrate recognition and cleavage processes. Taken together, our current structural, biochemical, and dynamic studies extend the knowledge of the M52 family proteins and provide novel insights into the biological function of HycI.

Enhanced metastatic capacity of breast cancer cells after interaction and hybrid formation with mesenchymal stroma/stem cells (MSC).

PubMed

Melzer, Catharina; von der Ohe, Juliane; Hass, Ralf

2018-01-05

Fusion of breast cancer cells with tumor-associated populations of the microenvironment including mesenchymal stroma/stem-like cells (MSC) represents a rare event in cell communication whereby the metastatic capacity of those hybrid cells remains unclear. Functional changes were investigated in vitro and in vivo following spontaneous fusion and hybrid cell formation between primary human MSC and human MDA-MB-231 breast cancer cells. Thus, lentiviral eGFP-labeled MSC and breast cancer cells labeled with mcherry resulted in dual-fluorescing hybrid cells after co-culture. Double FACS sorting and single cell cloning revealed two different aneuploid male hybrid populations (MDA-hyb1 and MDA-hyb2) with different STR profiles, pronounced telomerase activities, and enhanced proliferative capacities as compared to the parental cells. Microarray-based mRNA profiling demonstrated marked regulation of genes involved in epithelial-mesenchymal transition and increased expression of metastasis-associated genes including S100A4. In vivo studies following subcutaneous injection of the breast cancer and the two hybrid populations substantiated the in vitro findings by a significantly elevated tumor growth of the hybrid cells. Moreover, both hybrid populations developed various distant organ metastases in a much shorter period of time than the parental breast cancer cells. Together, these data demonstrate spontaneous development of new tumor cell populations exhibiting different parental properties after close interaction and subsequent fusion of MSC with breast cancer cells. This formation of tumor hybrids contributes to continuously increasing tumor heterogeneity and elevated metastatic capacities.

Allotype suppression in an adoptive transfer system in adult mice: the specificity and feedback effects of a monoclonal IgG3 anti-(Igh-1b) allotype antibody.

PubMed Central

Curling, E M; Dresser, D W

1984-01-01

Using an adoptive transfer system in mice, an allotype-specific suppression has been induced by a monoclonal IgG3 anti-Igh-1b (Hyb 5.7) reagent. Suppression was specific for IgG2a (Igh-1b) and led to a compensatory increase of the Igh-1a response in irradiated mice reconstituted with allotype heterozygous (Igha/b) spleen cells. Suppression, which was not antigen-specific, lasted for at least 1 month after anti-allotype treatment. PMID:6365744

Unlabeled oligonucleotides as internal temperature controls for genotyping by amplicon melting.

PubMed

Seipp, Michael T; Durtschi, Jacob D; Liew, Michael A; Williams, Jamie; Damjanovich, Kristy; Pont-Kingdon, Genevieve; Lyon, Elaine; Voelkerding, Karl V; Wittwer, Carl T

2007-07-01

Amplicon melting is a closed-tube method for genotyping that does not require probes, real-time analysis, or allele-specific polymerase chain reaction. However, correct differentiation of homozygous mutant and wild-type samples by melting temperature (Tm) requires high-resolution melting and closely controlled reaction conditions. When three different DNA extraction methods were used to isolate DNA from whole blood, amplicon Tm differences of 0.03 to 0.39 degrees C attributable to the extractions were observed. To correct for solution chemistry differences between samples, complementary unlabeled oligonucleotides were included as internal temperature controls to shift and scale the temperature axis of derivative melting plots. This adjustment was applied to a duplex amplicon melting assay for the methylenetetrahydrofolate reductase variants 1298A>C and 677C>T. High- and low-temperature controls bracketing the amplicon melting region decreased the Tm SD within homozygous genotypes by 47 to 82%. The amplicon melting assay was 100% concordant to an adjacent hybridization probe (HybProbe) melting assay when temperature controls were included, whereas a 3% error rate was observed without temperature correction. In conclusion, internal temperature controls increase the accuracy of genotyping by high-resolution amplicon melting and should also improve results on lower resolution instruments.

"iSS-Hyb-mRMR": Identification of splicing sites using hybrid space of pseudo trinucleotide and pseudo tetranucleotide composition.

PubMed

Iqbal, Muhammad; Hayat, Maqsood

2016-05-01

Gene splicing is a vital source of protein diversity. Perfectly eradication of introns and joining exons is the prominent task in eukaryotic gene expression, as exons are usually interrupted by introns. Identification of splicing sites through experimental techniques is complicated and time-consuming task. With the avalanche of genome sequences generated in the post genomic age, it remains a complicated and challenging task to develop an automatic, robust and reliable computational method for fast and effective identification of splicing sites. In this study, a hybrid model "iSS-Hyb-mRMR" is proposed for quickly and accurately identification of splicing sites. Two sample representation methods namely; pseudo trinucleotide composition (PseTNC) and pseudo tetranucleotide composition (PseTetraNC) were used to extract numerical descriptors from DNA sequences. Hybrid model was developed by concatenating PseTNC and PseTetraNC. In order to select high discriminative features, minimum redundancy maximum relevance algorithm was applied on the hybrid feature space. The performance of these feature representation methods was tested using various classification algorithms including K-nearest neighbor, probabilistic neural network, general regression neural network, and fitting network. Jackknife test was used for evaluation of its performance on two benchmark datasets S1 and S2, respectively. The predictor, proposed in the current study achieved an accuracy of 93.26%, sensitivity of 88.77%, and specificity of 97.78% for S1, and the accuracy of 94.12%, sensitivity of 87.14%, and specificity of 98.64% for S2, respectively. It is observed, that the performance of proposed model is higher than the existing methods in the literature so for; and will be fruitful in the mechanism of RNA splicing, and other research academia. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Carotenoid accumulation in postharvest "Cara Cara" navel orange (Citrus sinensis Osbeck) fruits stored at different temperatures was transcriptionally regulated in a tissue-dependent manner.

PubMed

Tao, Nengguo; Wang, Changfeng; Xu, Juan; Cheng, Yunjiang

2012-09-01

The main objective of this work was to investigate the effect of storage temperature (4 and 20 °C) on carotenoid accumulation and on the expression levels of seven carotenoid biosynthetic genes (Psy, Pds, Zds, Lcyb, Lcye, Hyb and Zep) in postharvest 'Cara Cara' navel orange (C. sinensis Osbeck) fruits. Storage at 20 °C rapidly increased the carotenoid content in the peel, whereas the content remained unchanged in the pulp before 35 days of storage. By contrast, storage at 4 °C maintained the carotenoid content in the peel before 35 days of storage, after which it slightly increased as time progressed. However, the content in the pulp gradually increased over the entire storage period. In the peel, the gene expressions of Psy and Lcyb were up-regulated at 20 °C but remained unchanged at 4 °C. In addition, the gene expressions of Zds, Hyb, and Zep were repressed at both temperatures before the early storage, followed by a rapid increase only at 20 °C. Then the expressions remained constant level at both temperatures, with the expression level at 20 °C higher than that at 4 °C. Low temperature (4 °C) apparently induced the expression of all the test carotenoid biosynthetic genes in the pulp, in contrast to the nearly stable level at 20 °C. Our present study suggests that the carotenoid biosynthesis in postharvest 'Cara Cara' fruits is transcriptionally regulated, and storage temperature affects the carotenoid accumulation and gene expression in a tissue-dependent manner. Temperature could affect the carotenoid biosynthesis in postharvest 'Cara Cara' fruits in a tissue-dependent manner. The carotenoid biosynthesis in postharvest 'Cara Cara' fruits was transcriptionally regulated by correlated genes.

Host Hydrogen Rather than That Produced by the Pathogen Is Important for Salmonella enterica Serovar Typhimurium Virulence

PubMed Central

Lamichhane-Khadka, Reena; Benoit, Stéphane L.; Miller-Parks, Erica F.

2014-01-01

Salmonella enterica serovar Typhimurium utilizes molecular hydrogen as a substrate in various respiratory pathways, via H2-uptake enzymes termed Hya, Hyb, and Hyd. A different hydrogenase, the hydrogen-evolving Hyc enzyme, removes excess reductant during fermentative growth. Virulence phenotypes conferred by mutations in hyc genes, either alone or in combination with mutations in the H2-uptake enzyme genes, are addressed. Anaerobically grown ΔhycB or ΔhycC single-deletion strains were more sensitive to acid than the wild-type strain, but the Δhyc strains were like the virulent parent strain with respect to both mouse morbidity and mortality and in organ burden numbers. Even fecal-recovery numbers for both mutant strains at several time points prior to the animals succumbing to salmonellosis were like those seen with the parent. Neither hydrogen uptake nor evolution of the gas was detected in a hydrogenase quadruple-mutant strain containing deletions in the hya, hyb, hyd, and hyc genes. As previously described, a strain lacking all H2-uptake ability was severely attenuated in its virulence characteristics, and the quadruple-mutant strain had the same (greatly attenuated) phenotype. While H2 levels were greatly reduced in ceca of mice treated with antibiotics, both the ΔhycB and ΔhycC strains were still like the parent in their ability to cause typhoid salmonellosis. It seems that the level of H2 produced by the pathogen (through formate hydrogen lyase [FHL] and Hyc) is insignificant in terms of providing respiratory reductant to facilitate either organ colonization or contributions to gut growth leading to pathogenesis. PMID:25368112

The radio continuum-star formation rate relation in WSRT sings galaxies

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

Heesen, Volker; Brinks, Elias; Leroy, Adam K.

2014-05-01

We present a study of the spatially resolved radio continuum-star formation rate (RC-SFR) relation using state-of-the-art star formation tracers in a sample of 17 THINGS galaxies. We use SFR surface density (Σ{sub SFR}) maps created by a linear combination of GALEX far-UV (FUV) and Spitzer 24 μm maps. We use RC maps at λλ22 and 18 cm from the WSRT SINGS survey and Hα emission maps to correct for thermal RC emission. We compare azimuthally averaged radial profiles of the RC and FUV/mid-IR (MIR) based Σ{sub SFR} maps and study pixel-by-pixel correlations at fixed linear scales of 1.2 and 0.7more » kpc. The ratio of the integrated SFRs from the RC emission to that of the FUV/MIR-based SF tracers is R{sub int}=0.78±0.38, consistent with the relation by Condon. We find a tight correlation between the radial profiles of the radio and FUV/MIR-based Σ{sub SFR} for the entire extent of the disk. The ratio R of the azimuthally averaged radio to FUV/MIR-based Σ{sub SFR} agrees with the integrated ratio and has only quasi-random fluctuations with galactocentric radius that are relatively small (25%). Pixel-by-pixel plots show a tight correlation in log-log diagrams of radio to FUV/MIR-based Σ{sub SFR}, with a typical standard deviation of a factor of two. Averaged over our sample we find (Σ{sub SFR}){sub RC}∝(Σ{sub SFR}){sub hyb}{sup 0.63±0.25}, implying that data points with high Σ{sub SFR} are relatively radio dim, whereas the reverse is true for low Σ{sub SFR}. We interpret this as a result of spectral aging of cosmic-ray electrons (CREs), which are diffusing away from the star formation sites where they are injected into the interstellar medium. This is supported by our finding that the radio spectral index is a second parameter in pixel-by-pixel plots: those data points dominated by young CREs are relatively radio dim, while those dominated by old CREs are slightly more RC bright than what would be expected from a linear extrapolation. We studied the ratio R of radio to FUV/MIR-based integrated SFR as a function of global galaxy parameters and found no clear correlation. This suggests that we can use RC emission as a universal star formation tracer for galaxies with a similar degree of accuracy as other tracers, if we restrict ourselves to global or azimuthally averaged measurements. We can reconcile our finding of an almost linear RC-SFR relation and sub-linear resolved (on 1 kpc scale) RC-Σ{sub SFR} relation by proposing a non-linear magnetic field-SFR relation, B∝SFR{sub hyb}{sup 0.30±0.02}, which holds both globally and locally.« less

[Utilization of nylon membranes for specific isolation and characterization of verotoxin-producing Escherichia coli using DNA probes].

PubMed

Gallien, P; Klie, H; Perlberg, K W; Protz, D

1996-01-01

A method for specific isolation of VT(+)-strains in raw milk is given. DNA-hybridization technique with DIG-labeled PCR-amplificates as probes are the basis. No background is seen by using "DIG Easy Hyb" solution and nylon membranes for colony- and plaque-hybridization (Boehringer Mannheim GmbH). Marked colonies are visible on the membranes after detection. So it is possible to select these colonies from a masterplate. The results are available within one day (without enrichment and membrane preparation). After stripping the membranes can be used for a new hybridisation to detect another factor of virulence.

Unlabeled Oligonucleotides as Internal Temperature Controls for Genotyping by Amplicon Melting

PubMed Central

Seipp, Michael T.; Durtschi, Jacob D.; Liew, Michael A.; Williams, Jamie; Damjanovich, Kristy; Pont-Kingdon, Genevieve; Lyon, Elaine; Voelkerding, Karl V.; Wittwer, Carl T.

2007-01-01

Amplicon melting is a closed-tube method for genotyping that does not require probes, real-time analysis, or allele-specific polymerase chain reaction. However, correct differentiation of homozygous mutant and wild-type samples by melting temperature (Tm) requires high-resolution melting and closely controlled reaction conditions. When three different DNA extraction methods were used to isolate DNA from whole blood, amplicon Tm differences of 0.03 to 0.39°C attributable to the extractions were observed. To correct for solution chemistry differences between samples, complementary unlabeled oligonucleotides were included as internal temperature controls to shift and scale the temperature axis of derivative melting plots. This adjustment was applied to a duplex amplicon melting assay for the methylenetetrahydrofolate reductase variants 1298A>C and 677C>T. High- and low-temperature controls bracketing the amplicon melting region decreased the Tm SD within homozygous genotypes by 47 to 82%. The amplicon melting assay was 100% concordant to an adjacent hybridization probe (HybProbe) melting assay when temperature controls were included, whereas a 3% error rate was observed without temperature correction. In conclusion, internal temperature controls increase the accuracy of genotyping by high-resolution amplicon melting and should also improve results on lower resolution instruments. PMID:17591926

Crystallization and X-ray diffraction analysis of 6-­aminohexanoate-dimer hydrolase from Arthrobacter sp. KI72

PubMed Central

Ohki, Taku; Mizuno, Nobuhiro; Shibata, Naoki; Takeo, Masahiro; Negoro, Seiji; Higuchi, Yoshiki

2005-01-01

To investigate the structure–function relationship between 6-aminohexanoate-dimer hydrolase (EII) from Arthrobacter sp. and a cryptic protein (EII′) which shows 88% sequence identity to EII, a hybrid protein (named Hyb-24) of EII and EII′ was overexpressed, purified and crystallized using the sitting-drop vapour-diffusion method with ammonium sulfate as a precipitant in MES buffer pH 6.5. The crystal belongs to space group P3121 or P3221, with unit-cell parameters a = b = 96.37, c = 113.09 Å. Diffraction data were collected from native and methylmercuric chloride derivative crystals to resolutions of 1.75 and 1.80 Å, respectively. PMID:16511198

Hales discontinuity beneath India: selective appearance and a case for systematic modeling

NASA Astrophysics Data System (ADS)

Mitra, S.; Chaudhury, J.

2016-12-01

Hales discontinuity was first reported in Lake Superior at depth of 80-90 km, characterized by an increase in P-wave velocity from 8.05 to 8.45 km/s. Subsequent, worldwide studies have observed this discontinuity beneath selected continental regions and Pacific Ocean, with depth varying from 40 to 115 km. The cause for the absence of observable signal corresponding to the Hales discontinuity beneath a number of seismic stations and the large depth variation of the discontinuity are poorly understood. In the Indian subcontinent, the Hales discontinuity has been selectively imaged beneath the Southern Granulite Terrain, Eastern Dharwar, Bastar and Aravalli Cratons. These studies used low frequency P-wave receiver functions (P-RFs) to show that the Hales discontinuity corresponds to a PHs phase arriving between 7.5 and 11 s. A few studies have forwarded modeled this phase to demonstrate that this arrival is distinct from Moho reverberations and corresponds to a depth range of 75-90 km. However, these studies have ignored the effect of mid-crustal discontinuity, which had been observed in P-RF inverted crustal models beneath these stations, and its first reverberation coincide with the reported PHs. We demonstrate through forward modeling that the observed Hales discontinuity PHs can be matched by the PpPs from mid-crustal discontinuity beneath the cratons, with the exception of Hyderabad (HYB), where this discontinuity was reported to be deepest at 90 km. We perform joint inversion of the HYB P-RFs with Rayleigh wave dispersion to obtain a 32 km thick two layer crust, and Hales discontinuity at a depth of 108±2 km, with 4% increase in S-wave velocity from 4.6 to 4.8 km/s. Several mechanisms have been proposed to explain this velocity discontinuity, which include transition from spinel to garnet peridotite or changes in cation partitioning in olivine. We intend to evaluate the velocity increase based on thermoelasticity data of minerals constituting peridotite.

Roles of H2 uptake hydrogenases in Shigella flexneri acid tolerance

PubMed Central

McNorton, Mykeshia M.

2012-01-01

Hydrogenases play many roles in bacterial physiology, and use of H2 by the uptake-type enzymes of animal pathogens is of particular interest. Hydrogenases have never been studied in the pathogen Shigella, so targeted mutant strains were individually generated in the two Shigella flexneri H2-uptake enzymes (Hya and Hyb) and in the H2-evolving enzyme (Hyc) to address their roles. Under anaerobic fermentative conditions, a Hya mutant strain (hya) was unable to oxidize H2, while a Hyb mutant strain oxidized H2 like the wild-type. A hyc strain oxidized more exogenously added hydrogen than the parent. Fluorescence ratio imaging with dye JC-1 (5,5′,6,6′-tetrachloro-1,1′,3,3′-tetraethylbenzimidazolylcarbocyanine iodide) showed that the parent strain generated a membrane potential 15 times greater than hya. The hya mutant was also by far the most acid-sensitive strain, being even more acid-sensitive than a mutant strain in the known acid-combating glutamate-dependent acid-resistance pathway (GDAR pathway). In severe acid-challenge experiments, the addition of glutamate to hya restored survivability, and this ability was attributed in part to the GDAR system (removes intracellular protons) by mutant strain (e.g. hya/gadBC double mutant) analyses. However, mutant strain phenotypes indicated that a larger portion of the glutamate-rescued acid tolerance was independent of GadBC. The acid tolerance of the hya strains was aided by adding chloride ions to the growth medium. The whole-cell Hya enzyme became more active upon acid exposure (20 min), based on assays of hyc. Indeed, the very high rates of Shigella H2 oxidation by Hya in acid can supply each cell with 2.4×108 protons min−1. Electrons generated from Hya-mediated H2 oxidation at the inner membrane likely counteract cytoplasmic positive charge stress, while abundant proton pools deposited periplasmically likely repel proton influx during severe acid stress. PMID:22628482

Esrrb-Cre Excises loxP-Flanked Alleles in Early Four-Cell Embryos

PubMed Central

Kim, Suyeon; Shaffer, Benjamin; Simerly, Calvin R.; Richard Chaillet, J.; Barak, Yaacov

2015-01-01

Among transgenic mice with ubiquitous Cre recombinase activity, all strains to date excise loxP-flanked (floxed) alleles, either at or before the zygote stage or at nondescript stages of development. This manuscript describes a new mouse strain, in which Cre recombinase, integrated into the Esrrb locus, efficiently excises floxed alleles in pre-implantation embryos at the onset of the four-cell stage. By enabling inactivation of genes only after the embryo has undergone two cleavages, this strain should facilitate in vivo studies of genes with essential gametic or zygotic functions. In addition, this study describes a new, highly pluripotent hybrid C57BL/6J × 129S1/SvImJ mouse embryonic stem cell line, HYB12, in which this knock-in and additional targeted alleles have been generated. PMID:26663459

Analysis of magnetic data of ground station network during strong magnetic storms

NASA Astrophysics Data System (ADS)

Mandrikova, Oksana; Solovev, Igor; Khomutov, Sergey; Baishev, Dmitry; Chandrasekhar, Phani

2017-10-01

The paper suggests a new technique for magnetic data analysis to detect and to estimate short-time anomalous increases in geomagnetic disturbance intensity. Based on the technique and applying the data of meridionally arranged stations in the north-east of Russia («Kotel'nyi» KTN, «Tixi» TIX, «Chokurdakh» CHD, «Zyryanka» ZYK, «Mys Shmidta» CPS, «Yakutsk» YAK, «Magadan» MGD, «Paratunka» PET, «Khabarovsk» KHB) and the near equatorial Indian stations ("Hyderabad" HYB and "Choutuppal" CPL), we analyzed the geomagnetic field variations during strong magnetic storms. This approach allowed us to detect simultaneously occurring local increases in geomagnetic activity observed a few hours before events and during the main phases of magnetic storms. The development of the method was supported by RSF Grant No.14-11-00194. Experimental investigations were supported by RFBR Grant No. 16-55-45007.

Exotic and excited-state radiative transitions in charmonium from lattice QCD

DOE PAGES

Dudek, Jozef J.; Edwards, Robert G.; Thomas, Christopher E.

2009-05-01

We compute, for the first time using lattice QCD methods, radiative transition rates involving excited charmonium states, states of high spin and exotics. Utilizing a large basis of interpolating fields we are able to project out various excited state contributions to three-point correlators computed on quenched anisotropic lattices. In the first lattice QCD calculation of the exoticmore » $$1^{-+}$$ $$\\eta_{c1}$$ radiative decay, we find a large partial width $$\\Gamma(\\eta_{c1} \\to J/\\psi \\gamma) \\sim 100 \\,\\mathrm{keV}$$. We find clear signals for electric dipole and magnetic quadrupole transition form factors in $$\\chi_{c2} \\to J/\\psi \\gamma$$, calculated for the first time in this framework, and study transitions involving excited $$\\psi$$ and $$\\chi_{c1,2}$$ states. We calculate hindered magnetic dipole transition widths without the sensitivity to assumptions made in model studies and find statistically significant signals, including a non-exotic vector hybrid candidate $Y_{\\mathrm{hyb?}} \\to \\et« less

Development of visibility forecasting modeling framework for the Lower Fraser Valley of British Columbia using Canada's Regional Air Quality Deterministic Prediction System.

PubMed

So, Rita; Teakles, Andrew; Baik, Jonathan; Vingarzan, Roxanne; Jones, Keith

2018-05-01

Visibility degradation, one of the most noticeable indicators of poor air quality, can occur despite relatively low levels of particulate matter when the risk to human health is low. The availability of timely and reliable visibility forecasts can provide a more comprehensive understanding of the anticipated air quality conditions to better inform local jurisdictions and the public. This paper describes the development of a visibility forecasting modeling framework, which leverages the existing air quality and meteorological forecasts from Canada's operational Regional Air Quality Deterministic Prediction System (RAQDPS) for the Lower Fraser Valley of British Columbia. A baseline model (GM-IMPROVE) was constructed using the revised IMPROVE algorithm based on unprocessed forecasts from the RAQDPS. Three additional prototypes (UMOS-HYB, GM-MLR, GM-RF) were also developed and assessed for forecast performance of up to 48 hr lead time during various air quality and meteorological conditions. Forecast performance was assessed by examining their ability to provide both numerical and categorical forecasts in the form of 1-hr total extinction and Visual Air Quality Ratings (VAQR), respectively. While GM-IMPROVE generally overestimated extinction more than twofold, it had skill in forecasting the relative species contribution to visibility impairment, including ammonium sulfate and ammonium nitrate. Both statistical prototypes, GM-MLR and GM-RF, performed well in forecasting 1-hr extinction during daylight hours, with correlation coefficients (R) ranging from 0.59 to 0.77. UMOS-HYB, a prototype based on postprocessed air quality forecasts without additional statistical modeling, provided reasonable forecasts during most daylight hours. In terms of categorical forecasts, the best prototype was approximately 75 to 87% correct, when forecasting for a condensed three-category VAQR. A case study, focusing on a poor visual air quality yet low Air Quality Health Index episode, illustrated that the statistical prototypes were able to provide timely and skillful visibility forecasts with lead time up to 48 hr. This study describes the development of a visibility forecasting modeling framework, which leverages the existing air quality and meteorological forecasts from Canada's operational Regional Air Quality Deterministic Prediction System. The main applications include tourism and recreation planning, input into air quality management programs, and educational outreach. Visibility forecasts, when supplemented with the existing air quality and health based forecasts, can assist jurisdictions to anticipate the visual air quality impacts as perceived by the public, which can potentially assist in formulating the appropriate air quality bulletins and recommendations.

Low-temperature magnetoelectric effect in multiferroic h-Yb1-xHoxMnO3

NASA Astrophysics Data System (ADS)

Zhang, Jincang; Gang, Qiang; Fang, Yifei

In this work, we study the low-temperature ferroelectricity, magnetic property and ME effect in Yb1-xHoxMnO3. In YbMnO3, ferroelectric polarization (P) is closely related with the structure change derived from spin-reorientation process. The initial symmetric relationship of P between the upper and lower half of magnetic sublattice will be broken, which gives rise to the detectable polarization. Additionally, the asymmetry of the P - T curves revealed the pinning effect of the defects in the material. In Ho-doped samples 2D antiferromagnetic perturbation as well as the second AFM ordering have been observed. Substitution of Yb by Ho atoms shows great influences on electric properties and the lowdoping concentration tend to be more favorable for the enhancement of P. The maximum polarization has been promoted hugely in Yb0.8Ho0.2MnO3. We suggested the variation of P is closely related with the stronger exchange interaction in Mn-O-Ho as well as the establishment of new Ho layers with the increase of Ho.

Acid Evolution of Escherichia coli K-12 Eliminates Amino Acid Decarboxylases and Reregulates Catabolism.

PubMed

He, Amanda; Penix, Stephanie R; Basting, Preston J; Griffith, Jessie M; Creamer, Kaitlin E; Camperchioli, Dominic; Clark, Michelle W; Gonzales, Alexandra S; Chávez Erazo, Jorge Sebastian; George, Nadja S; Bhagwat, Arvind A; Slonczewski, Joan L

2017-06-15

Acid-adapted strains of Escherichia coli K-12 W3110 were obtained by serial culture in medium buffered at pH 4.6 (M. M. Harden, A. He, K. Creamer, M. W. Clark, I. Hamdallah, K. A. Martinez, R. L. Kresslein, S. P. Bush, and J. L. Slonczewski, Appl Environ Microbiol 81:1932-1941, 2015, https://doi.org/10.1128/AEM.03494-14). Revised genomic analysis of these strains revealed insertion sequence (IS)-driven insertions and deletions that knocked out regulators CadC (acid induction of lysine decarboxylase), GadX (acid induction of glutamate decarboxylase), and FNR (anaerobic regulator). Each acid-evolved strain showed loss of one or more amino acid decarboxylase systems, which normally help neutralize external acid (pH 5 to 6) and increase survival in extreme acid (pH 2). Strains from populations B11, H9, and F11 had an IS 5 insertion or IS-mediated deletion in cadC , while population B11 had a point mutation affecting the arginine activator adiY The cadC and adiY mutants failed to neutralize acid in the presence of exogenous lysine or arginine. In strain B11-1, reversion of an rpoC (RNA polymerase) mutation partly restored arginine-dependent neutralization. All eight strains showed deletion or downregulation of the Gad acid fitness island. Strains with the Gad deletion lost the ability to produce GABA (gamma-aminobutyric acid) and failed to survive extreme acid. Transcriptome sequencing (RNA-seq) of strain B11-1 showed upregulated genes for catabolism of diverse substrates but downregulated acid stress genes (the biofilm regulator ariR , yhiM , and Gad). Other strains showed downregulation of H 2 consumption mediated by hydrogenases ( hya and hyb ) which release acid. Strains F9-2 and F9-3 had a deletion of fnr and showed downregulation of FNR-dependent genes ( dmsABC , frdABCD , hybABO , nikABCDE , and nrfAC ). Overall, strains that had evolved in buffered acid showed loss or downregulation of systems that neutralize unbuffered acid and showed altered regulation of catabolism. IMPORTANCE Experimental evolution of an enteric bacterium under a narrow buffered range of acid pH leads to loss of genes that enhance fitness above or below the buffered pH range, including loss of enzymes that may raise external pH in the absence of buffer. Prominent modes of evolutionary change involve IS-mediated insertions and deletions that knock out key regulators. Over generations of acid stress, catabolism undergoes reregulation in ways that differ for each evolving strain. Copyright © 2017 American Society for Microbiology.

A multiscale approach to accelerate pore-scale simulation of porous electrodes

NASA Astrophysics Data System (ADS)

Zheng, Weibo; Kim, Seung Hyun

2017-04-01

A new method to accelerate pore-scale simulation of porous electrodes is presented. The method combines the macroscopic approach with pore-scale simulation by decomposing a physical quantity into macroscopic and local variations. The multiscale method is applied to the potential equation in pore-scale simulation of a Proton Exchange Membrane Fuel Cell (PEMFC) catalyst layer, and validated with the conventional approach for pore-scale simulation. Results show that the multiscale scheme substantially reduces the computational cost without sacrificing accuracy.

One second vector and scalar magnetic measurements at the low-latitude Choutuppal (CPL) magnetic observatory

NASA Astrophysics Data System (ADS)

Phani Chandrasekhar, Nelapatla; Potharaju, Sai Vijay Kumar; Arora, Kusumita; Shakar Rao Kasuba, Chandra; Rakhlin, Leonid; Tymoshyn, Sergey; Merenyi, Laszlo; Chilukuri, Anusha; Bulusu, Jayashree; Khomutov, Sergey

2017-12-01

One second measurements of the geomagnetic field variations, which meet INTERMAGNET quality and transmission specifications, require very special conditions to be maintained at the observatories over sustained periods of time, which pose serious challenges for the operators, particularly when infrastructural and environmental conditions are far from ideal. This work presents the progressive steps, which led to the successful setup of such measurements at the new magnetic observatory of the Council of Scientific and Industrial Research (CSIR)-National Geophysical Research Institute (NGRI) in the Choutuppal (CPL) campus, Hyderabad (HYB), India. The 1 s magnetic measurements in trial mode commenced in 2015 using the newly developed observatory-grade 1 s fluxgate magnetometer, GEOMAG-02MO, from Research Centre GEOMAGNET (GM), Ukraine, and the Overhauser proton precession magnetometer, GSM-90F1, along with the data acquisition system, Magrec-4B from Mingeo, Hungary. Iterative tuning of the setup led to the generation of good quality data from 2016 onward. The processes of commissioning this setup in low-latitude conditions, with the aim of producing 1 s definitive data, and the characteristics of the data from this new instrument are presented here.

Effect of blue LED light intensity on carotenoid accumulation in citrus juice sacs.

PubMed

Zhang, Lancui; Ma, Gang; Yamawaki, Kazuki; Ikoma, Yoshinori; Matsumoto, Hikaru; Yoshioka, Terutaka; Ohta, Satoshi; Kato, Masaya

2015-09-01

In the present study, the effects of blue LED light intensity on carotenoid accumulation and expression of genes related to carotenoid biosynthesis were investigated in the juice sacs of Satsuma mandarin (Citrus unshiu Marc.) and Valencia orange (Citrus sinensis Osbeck) in vitro. The results showed that 100 μmol m(-2)s(-1) blue LED light (100B) was effective for increasing carotenoid content, especially β-cryptoxanthin, in Satsuma mandarin after cultured in vitro for four weeks. In Valencia orange, in contrast, 50 μmol m(-2)s(-1) blue LED light (50B) treatment was effective for inducing carotenoid accumulation through increasing the contents of two major carotenoids, all-trans-violaxanthin and 9-cis-violaxanthin. In addition, gene expression results showed that the simultaneous increases in the expression of genes (CitPSY, CitPDS, CitZDS, CitLCYb2, and CitHYb) involved in producing β,β-xanthophylls were well consistent with the accumulation of β-cryptoxanthin in Satsuma mandarin under 100B, and violaxanthin in Valencia orange under 50B. The results presented herein contribute to further elucidating the regulatory mechanism of carotenoid accumulation by blue LED light. Copyright © 2015 Elsevier GmbH. All rights reserved.

Proteus mirabilis interkingdom swarming signals attract blow flies

PubMed Central

Ma, Qun; Fonseca, Alicia; Liu, Wenqi; Fields, Andrew T; Pimsler, Meaghan L; Spindola, Aline F; Tarone, Aaron M; Crippen, Tawni L; Tomberlin, Jeffery K; Wood, Thomas K

2012-01-01

Flies transport specific bacteria with their larvae that provide a wider range of nutrients for those bacteria. Our hypothesis was that this symbiotic interaction may depend on interkingdom signaling. We obtained Proteus mirabilis from the salivary glands of the blow fly Lucilia sericata; this strain swarmed significantly and produced a strong odor that attracts blow flies. To identify the putative interkingdom signals for the bacterium and flies, we reasoned that as swarming is used by this bacterium to cover the food resource and requires bacterial signaling, the same bacterial signals used for swarming may be used to communicate with blow flies. Using transposon mutagenesis, we identified six novel genes for swarming (ureR, fis, hybG, zapB, fadE and PROSTU_03490), then, confirming our hypothesis, we discovered that fly attractants, lactic acid, phenol, NaOH, KOH and ammonia, restore swarming for cells with the swarming mutations. Hence, compounds produced by the bacterium that attract flies also are utilized for swarming. In addition, bacteria with the swarming mutation rfaL attracted fewer blow flies and reduced the number of eggs laid by the flies. Therefore, we have identified several interkingdom signals between P. mirabilis and blow flies. PMID:22237540

Heat Transfer Prediction of Film Cooling in Supersonic Flow

NASA Astrophysics Data System (ADS)

Luchi, Riccardo; Salvadori, Simone; Martelli, Francesco

2008-09-01

Considering the modern high pressure stages of gas turbines, the flow over the suction side of the blades can be affected by the presence of shock impingement and boundary layer separation. Furthermore, it should be pointed out that the combustor exit temperature reaches values which are close to the allowable material limit. Then, a cooling system based on the film cooling approach should be designed to prevent failure. The interaction between the ejected coolant and the shock impingement must be studied to achieve a higher efficiency of the cooling system. The proposed approach is based on the numerical evaluation of a film cooled test section experimentally studied at the University of Karlsruhe. The testing rig consists in a converging-diverging nozzle that accelerates the flow up to sonic conditions while an oblique shock is generated at the nozzle exit section. Three cases have been studied, changing the cooling holes position with respect to the shock impingement over the cooled surface. The obtained results are presented and compared with the experimental data. The used solver is the in-house CFD 3D code HybFlow, developed at the University of Florence. This study has been carried out in the frame of the EU funded TATEF2 project.

Comparison of sub-scaled to full-scaled aircrafts in simulation environment for air traffic management

NASA Astrophysics Data System (ADS)

Elbakary, Mohamed I.; Iftekharuddin, Khan M.; Papelis, Yiannis; Newman, Brett

2017-05-01

Air Traffic Management (ATM) concepts are commonly tested in simulation to obtain preliminary results and validate the concepts before adoption. Recently, the researchers found that simulation is not enough because of complexity associated with ATM concepts. In other words, full-scale tests must eventually take place to provide compelling performance evidence before adopting full implementation. Testing using full-scale aircraft produces a high-cost approach that yields high-confidence results but simulation provides a low-risk/low-cost approach with reduced confidence on the results. One possible approach to increase the confidence of the results and simultaneously reduce the risk and the cost is using unmanned sub-scale aircraft in testing new concepts for ATM. This paper presents the simulation results of using unmanned sub-scale aircraft in implementing ATM concepts compared to the full scale aircraft. The results of simulation show that the performance of sub-scale is quite comparable to that of the full-scale which validates use of the sub-scale in testing new ATM concepts. Keywords: Unmanned

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: A multi-scale simulation analysis

USGS Publications Warehouse

Knightes, Christopher D.; Golden, Heather E.; Journey, Celeste A.; Davis, Gary M.; Conrads, Paul; Marvin-DiPasquale, Mark; Brigham, Mark E.; Bradley, Paul M.

2014-01-01

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale mercury data and model simulations can be applied at broader watershed scales using a spatially and temporally explicit watershed hydrology and biogeochemical cycling model, VELMA. We simulate fate and transport using reach-scale (0.1 km2) study data and evaluate applications to multiple watershed scales. Reach-scale VELMA parameterization was applied to two nested sub-watersheds (28 km2 and 25 km2) and the encompassing watershed (79 km2). Results demonstrate that simulated flow and total mercury concentrations compare reasonably to observations at different scales, but simulated methylmercury concentrations are out-of-phase with observations. These findings suggest that intricacies of methylmercury biogeochemical cycling and transport are under-represented in VELMA and underscore the complexity of simulating mercury fate and transport.

Use of simulated evaporation to assess the potential for scale formation during reverse osmosis desalination

USGS Publications Warehouse

Huff, G.F.

2004-01-01

The tendency of solutes in input water to precipitate efficiency lowering scale deposits on the membranes of reverse osmosis (RO) desalination systems is an important factor in determining the suitability of input water for desalination. Simulated input water evaporation can be used as a technique to quantitatively assess the potential for scale formation in RO desalination systems. The technique was demonstrated by simulating the increase in solute concentrations required to form calcite, gypsum, and amorphous silica scales at 25??C and 40??C from 23 desalination input waters taken from the literature. Simulation results could be used to quantitatively assess the potential of a given input water to form scale or to compare the potential of a number of input waters to form scale during RO desalination. Simulated evaporation of input waters cannot accurately predict the conditions under which scale will form owing to the effects of potentially stable supersaturated solutions, solution velocity, and residence time inside RO systems. However, the simulated scale-forming potential of proposed input waters could be compared with the simulated scale-forming potentials and actual scale-forming properties of input waters having documented operational histories in RO systems. This may provide a technique to estimate the actual performance and suitability of proposed input waters during RO.

A novel method of multi-scale simulation of macro-scale deformation and microstructure evolution on metal forming

NASA Astrophysics Data System (ADS)

Huang, Shiquan; Yi, Youping; Li, Pengchuan

2011-05-01

In recent years, multi-scale simulation technique of metal forming is gaining significant attention for prediction of the whole deformation process and microstructure evolution of product. The advances of numerical simulation at macro-scale level on metal forming are remarkable and the commercial FEM software, such as Deform2D/3D, has found a wide application in the fields of metal forming. However, the simulation method of multi-scale has little application due to the non-linearity of microstructure evolution during forming and the difficulty of modeling at the micro-scale level. This work deals with the modeling of microstructure evolution and a new method of multi-scale simulation in forging process. The aviation material 7050 aluminum alloy has been used as example for modeling of microstructure evolution. The corresponding thermal simulated experiment has been performed on Gleeble 1500 machine. The tested specimens have been analyzed for modeling of dislocation density, nucleation and growth of recrystallization(DRX). The source program using cellular automaton (CA) method has been developed to simulate the grain nucleation and growth, in which the change of grain topology structure caused by the metal deformation was considered. The physical fields at macro-scale level such as temperature field, stress and strain fields, which can be obtained by commercial software Deform 3D, are coupled with the deformed storage energy at micro-scale level by dislocation model to realize the multi-scale simulation. This method was explained by forging process simulation of the aircraft wheel hub forging. Coupled the results of Deform 3D with CA results, the forging deformation progress and the microstructure evolution at any point of forging could be simulated. For verifying the efficiency of simulation, experiments of aircraft wheel hub forging have been done in the laboratory and the comparison of simulation and experiment result has been discussed in details.

Multi-scale gyrokinetic simulations of an Alcator C-Mod, ELM-y H-mode plasma

NASA Astrophysics Data System (ADS)

Howard, N. T.; Holland, C.; White, A. E.; Greenwald, M.; Rodriguez-Fernandez, P.; Candy, J.; Creely, A. J.

2018-01-01

High fidelity, multi-scale gyrokinetic simulations capable of capturing both ion ({k}θ {ρ }s∼ { O }(1.0)) and electron-scale ({k}θ {ρ }e∼ { O }(1.0)) turbulence were performed in the core of an Alcator C-Mod ELM-y H-mode discharge which exhibits reactor-relevant characteristics. These simulations, performed with all experimental inputs and realistic ion to electron mass ratio ({({m}i/{m}e)}1/2=60.0) provide insight into the physics fidelity that may be needed for accurate simulation of the core of fusion reactor discharges. Three multi-scale simulations and series of separate ion and electron-scale simulations performed using the GYRO code (Candy and Waltz 2003 J. Comput. Phys. 186 545) are presented. As with earlier multi-scale results in L-mode conditions (Howard et al 2016 Nucl. Fusion 56 014004), both ion and multi-scale simulations results are compared with experimentally inferred ion and electron heat fluxes, as well as the measured values of electron incremental thermal diffusivities—indicative of the experimental electron temperature profile stiffness. Consistent with the L-mode results, cross-scale coupling is found to play an important role in the simulation of these H-mode conditions. Extremely stiff ion-scale transport is observed in these high-performance conditions which is shown to likely play and important role in the reproduction of measurements of perturbative transport. These results provide important insight into the role of multi-scale plasma turbulence in the core of reactor-relevant plasmas and establish important constraints on the the fidelity of models needed for predictive simulations.

Training the elderly in pedestrian safety: Transfer effect between two virtual reality simulation devices.

PubMed

Maillot, Pauline; Dommes, Aurélie; Dang, Nguyen-Thong; Vienne, Fabrice

2017-02-01

A virtual-reality training program has been developed to help older pedestrians make safer street-crossing decisions in two-way traffic situations. The aim was to develop a small-scale affordable and transportable simulation device that allowed transferring effects to a full-scale device involving actual walking. 20 younger adults and 40 older participants first participated in a pre-test phase to assess their street crossings using both full-scale and small-scale simulation devices. Then, a trained older group (20 participants) completed two 1.5-h training sessions with the small-scale device, whereas an older control group received no training (19 participants). Thereafter, the 39 older trained and untrained participants took part in a 1.5-h post-test phase again with both devices. Pre-test phase results suggested significant differences between both devices in the group of older participants only. Unlike younger participants, older participants accepted more often to cross and had more collisions on the small-scale simulation device than on the full-scale one. Post-test phase results showed that training older participants on the small-scale device allowed a significant global decrease in the percentage of accepted crossings and collisions on both simulation devices. But specific improvements regarding the way participants took into account the speed of approaching cars and vehicles in the far lane were notable only on the full-scale simulation device. The findings suggest that the small-scale simulation device triggers a greater number of unsafe decisions compared to a full-scale one that allows actual crossings. But findings reveal that such a small-scale simulation device could be a good means to improve the safety of street-crossing decisions and behaviors among older pedestrians, suggesting a transfer of learning effect between the two simulation devices, from training people with a miniature device to measuring their specific progress with a full-scale one. Copyright © 2016 Elsevier Ltd. All rights reserved.

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

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

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

DOE PAGES

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.; ...

2017-03-02

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Impacts of different characterizations of large-scale background on simulated regional-scale ozone over the continental United States

EPA Science Inventory

This study analyzes simulated regional-scale ozone burdens both near the surface and aloft, estimates process contributions to these burdens, and calculates the sensitivity of the simulated regional-scale ozone burden to several key model inputs with a particular emphasis on boun...

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: a multi-scale simulation analysis.

PubMed

Knightes, C D; Golden, H E; Journey, C A; Davis, G M; Conrads, P A; Marvin-DiPasquale, M; Brigham, M E; Bradley, P M

2014-04-01

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale mercury data and model simulations can be applied at broader watershed scales using a spatially and temporally explicit watershed hydrology and biogeochemical cycling model, VELMA. We simulate fate and transport using reach-scale (0.1 km(2)) study data and evaluate applications to multiple watershed scales. Reach-scale VELMA parameterization was applied to two nested sub-watersheds (28 km(2) and 25 km(2)) and the encompassing watershed (79 km(2)). Results demonstrate that simulated flow and total mercury concentrations compare reasonably to observations at different scales, but simulated methylmercury concentrations are out-of-phase with observations. These findings suggest that intricacies of methylmercury biogeochemical cycling and transport are under-represented in VELMA and underscore the complexity of simulating mercury fate and transport. Published by Elsevier Ltd.

Visual Data-Analytics of Large-Scale Parallel Discrete-Event Simulations

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

Ross, Caitlin; Carothers, Christopher D.; Mubarak, Misbah

Parallel discrete-event simulation (PDES) is an important tool in the codesign of extreme-scale systems because PDES provides a cost-effective way to evaluate designs of highperformance computing systems. Optimistic synchronization algorithms for PDES, such as Time Warp, allow events to be processed without global synchronization among the processing elements. A rollback mechanism is provided when events are processed out of timestamp order. Although optimistic synchronization protocols enable the scalability of large-scale PDES, the performance of the simulations must be tuned to reduce the number of rollbacks and provide an improved simulation runtime. To enable efficient large-scale optimistic simulations, one has tomore » gain insight into the factors that affect the rollback behavior and simulation performance. We developed a tool for ROSS model developers that gives them detailed metrics on the performance of their large-scale optimistic simulations at varying levels of simulation granularity. Model developers can use this information for parameter tuning of optimistic simulations in order to achieve better runtime and fewer rollbacks. In this work, we instrument the ROSS optimistic PDES framework to gather detailed statistics about the simulation engine. We have also developed an interactive visualization interface that uses the data collected by the ROSS instrumentation to understand the underlying behavior of the simulation engine. The interface connects real time to virtual time in the simulation and provides the ability to view simulation data at different granularities. We demonstrate the usefulness of our framework by performing a visual analysis of the dragonfly network topology model provided by the CODES simulation framework built on top of ROSS. The instrumentation needs to minimize overhead in order to accurately collect data about the simulation performance. To ensure that the instrumentation does not introduce unnecessary overhead, we perform a scaling study that compares instrumented ROSS simulations with their noninstrumented counterparts in order to determine the amount of perturbation when running at different simulation scales.« less

Spatial adaptive sampling in multiscale simulation

NASA Astrophysics Data System (ADS)

Rouet-Leduc, Bertrand; Barros, Kipton; Cieren, Emmanuel; Elango, Venmugil; Junghans, Christoph; Lookman, Turab; Mohd-Yusof, Jamaludin; Pavel, Robert S.; Rivera, Axel Y.; Roehm, Dominic; McPherson, Allen L.; Germann, Timothy C.

2014-07-01

In a common approach to multiscale simulation, an incomplete set of macroscale equations must be supplemented with constitutive data provided by fine-scale simulation. Collecting statistics from these fine-scale simulations is typically the overwhelming computational cost. We reduce this cost by interpolating the results of fine-scale simulation over the spatial domain of the macro-solver. Unlike previous adaptive sampling strategies, we do not interpolate on the potentially very high dimensional space of inputs to the fine-scale simulation. Our approach is local in space and time, avoids the need for a central database, and is designed to parallelize well on large computer clusters. To demonstrate our method, we simulate one-dimensional elastodynamic shock propagation using the Heterogeneous Multiscale Method (HMM); we find that spatial adaptive sampling requires only ≈ 50 ×N0.14 fine-scale simulations to reconstruct the stress field at all N grid points. Related multiscale approaches, such as Equation Free methods, may also benefit from spatial adaptive sampling.

Development of a parallel FE simulator for modeling the whole trans-scale failure process of rock from meso- to engineering-scale

NASA Astrophysics Data System (ADS)

Li, Gen; Tang, Chun-An; Liang, Zheng-Zhao

2017-01-01

Multi-scale high-resolution modeling of rock failure process is a powerful means in modern rock mechanics studies to reveal the complex failure mechanism and to evaluate engineering risks. However, multi-scale continuous modeling of rock, from deformation, damage to failure, has raised high requirements on the design, implementation scheme and computation capacity of the numerical software system. This study is aimed at developing the parallel finite element procedure, a parallel rock failure process analysis (RFPA) simulator that is capable of modeling the whole trans-scale failure process of rock. Based on the statistical meso-damage mechanical method, the RFPA simulator is able to construct heterogeneous rock models with multiple mechanical properties, deal with and represent the trans-scale propagation of cracks, in which the stress and strain fields are solved for the damage evolution analysis of representative volume element by the parallel finite element method (FEM) solver. This paper describes the theoretical basis of the approach and provides the details of the parallel implementation on a Windows - Linux interactive platform. A numerical model is built to test the parallel performance of FEM solver. Numerical simulations are then carried out on a laboratory-scale uniaxial compression test, and field-scale net fracture spacing and engineering-scale rock slope examples, respectively. The simulation results indicate that relatively high speedup and computation efficiency can be achieved by the parallel FEM solver with a reasonable boot process. In laboratory-scale simulation, the well-known physical phenomena, such as the macroscopic fracture pattern and stress-strain responses, can be reproduced. In field-scale simulation, the formation process of net fracture spacing from initiation, propagation to saturation can be revealed completely. In engineering-scale simulation, the whole progressive failure process of the rock slope can be well modeled. It is shown that the parallel FE simulator developed in this study is an efficient tool for modeling the whole trans-scale failure process of rock from meso- to engineering-scale.

Small-scale multi-axial hybrid simulation of a shear-critical reinforced concrete frame

NASA Astrophysics Data System (ADS)

Sadeghian, Vahid; Kwon, Oh-Sung; Vecchio, Frank

2017-10-01

This study presents a numerical multi-scale simulation framework which is extended to accommodate hybrid simulation (numerical-experimental integration). The framework is enhanced with a standardized data exchange format and connected to a generalized controller interface program which facilitates communication with various types of laboratory equipment and testing configurations. A small-scale experimental program was conducted using a six degree-of-freedom hydraulic testing equipment to verify the proposed framework and provide additional data for small-scale testing of shearcritical reinforced concrete structures. The specimens were tested in a multi-axial hybrid simulation manner under a reversed cyclic loading condition simulating earthquake forces. The physical models were 1/3.23-scale representations of a beam and two columns. A mixed-type modelling technique was employed to analyze the remainder of the structures. The hybrid simulation results were compared against those obtained from a large-scale test and finite element analyses. The study found that if precautions are taken in preparing model materials and if the shear-related mechanisms are accurately considered in the numerical model, small-scale hybrid simulations can adequately simulate the behaviour of shear-critical structures. Although the findings of the study are promising, to draw general conclusions additional test data are required.

Using Discrete Event Simulation for Programming Model Exploration at Extreme-Scale: Macroscale Components for the Structural Simulation Toolkit (SST).

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

Wilke, Jeremiah J; Kenny, Joseph P.

2015-02-01

Discrete event simulation provides a powerful mechanism for designing and testing new extreme- scale programming models for high-performance computing. Rather than debug, run, and wait for results on an actual system, design can first iterate through a simulator. This is particularly useful when test beds cannot be used, i.e. to explore hardware or scales that do not yet exist or are inaccessible. Here we detail the macroscale components of the structural simulation toolkit (SST). Instead of depending on trace replay or state machines, the simulator is architected to execute real code on real software stacks. Our particular user-space threading frameworkmore » allows massive scales to be simulated even on small clusters. The link between the discrete event core and the threading framework allows interesting performance metrics like call graphs to be collected from a simulated run. Performance analysis via simulation can thus become an important phase in extreme-scale programming model and runtime system design via the SST macroscale components.« less

49 CFR 239.105 - Debriefing and critique.

Code of Federal Regulations, 2014 CFR

2014-10-01

... emergency situation or full-scale simulation to determine the effectiveness of its emergency preparedness... passenger train emergency situation or full-scale simulation. To the extent practicable, all on-board...-scale simulation shall participate in the session either: (1) In person; (2) Offsite via teleconference...

Scale effects in wind tunnel modeling of an urban atmospheric boundary layer

NASA Astrophysics Data System (ADS)

Kozmar, Hrvoje

2010-03-01

Precise urban atmospheric boundary layer (ABL) wind tunnel simulations are essential for a wide variety of atmospheric studies in built-up environments including wind loading of structures and air pollutant dispersion. One of key issues in addressing these problems is a proper choice of simulation length scale. In this study, an urban ABL was reproduced in a boundary layer wind tunnel at different scales to study possible scale effects. Two full-depth simulations and one part-depth simulation were carried out using castellated barrier wall, vortex generators, and a fetch of roughness elements. Redesigned “Counihan” vortex generators were employed in the part-depth ABL simulation. A hot-wire anemometry system was used to measure mean velocity and velocity fluctuations. Experimental results are presented as mean velocity, turbulence intensity, Reynolds stress, integral length scale of turbulence, and power spectral density of velocity fluctuations. Results suggest that variations in length-scale factor do not influence the generated ABL models when using similarity criteria applied in this study. Part-depth ABL simulation compares well with two full-depth ABL simulations indicating the truncated vortex generators developed for this study can be successfully employed in urban ABL part-depth simulations.

FY10 Report on Multi-scale Simulation of Solvent Extraction Processes: Molecular-scale and Continuum-scale Studies

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

Wardle, Kent E.; Frey, Kurt; Pereira, Candido

2014-02-02

This task is aimed at predictive modeling of solvent extraction processes in typical extraction equipment through multiple simulation methods at various scales of resolution. We have conducted detailed continuum fluid dynamics simulation on the process unit level as well as simulations of the molecular-level physical interactions which govern extraction chemistry. Through combination of information gained through simulations at each of these two tiers along with advanced techniques such as the Lattice Boltzmann Method (LBM) which can bridge these two scales, we can develop the tools to work towards predictive simulation for solvent extraction on the equipment scale (Figure 1). Themore » goal of such a tool-along with enabling optimized design and operation of extraction units-would be to allow prediction of stage extraction effrciency under specified conditions. Simulation efforts on each of the two scales will be described below. As the initial application of FELBM in the work performed during FYl0 has been on annular mixing it will be discussed in context of the continuum-scale. In the future, however, it is anticipated that the real value of FELBM will be in its use as a tool for sub-grid model development through highly refined DNS-like multiphase simulations facilitating exploration and development of droplet models including breakup and coalescence which will be needed for the large-scale simulations where droplet level physics cannot be resolved. In this area, it can have a significant advantage over traditional CFD methods as its high computational efficiency allows exploration of significantly greater physical detail especially as computational resources increase in the future.« less

Analysis of the Empathic Concern Subscale of the Emotional Response Questionnaire in a Study Evaluating the Impact of a 3D Cultural Simulation.

PubMed

Everson, Naleya; Levett-Jones, Tracy; Pitt, Victoria; Lapkin, Samuel; Van Der Riet, Pamela; Rossiter, Rachel; Jones, Donovan; Gilligan, Conor; Courtney Pratt, Helen

2018-04-25

Abstract Background Empathic concern has been found to decline in health professional students. Few effective educational programs and a lack of validated scales are reported. Previous analysis of the Empathic Concern scale of the Emotional Response Questionnaire has reported both one and two latent constructs. Aim To evaluate the impact of simulation on nursing students' empathic concern and test the psychometric properties of the Empathic Concern scale. Methods The study used a one group pre-test post-test design with a convenience sample of 460 nursing students. Empathic concern was measured pre-post simulation with the Empathic Concern scale. Factor Analysis was undertaken to investigate the structure of the scale. Results There was a statistically significant increase in Empathic Concern scores between pre-simulation 5.57 (SD = 1.04) and post-simulation 6.10 (SD = 0.95). Factor analysis of the Empathic Concern scale identified one latent dimension. Conclusion Immersive simulation may promote empathic concern. The Empathic Concern scale measured a single latent construct in this cohort.

Scaling a Convection-Resolving RCM to Near-Global Scales

NASA Astrophysics Data System (ADS)

Leutwyler, D.; Fuhrer, O.; Chadha, T.; Kwasniewski, G.; Hoefler, T.; Lapillonne, X.; Lüthi, D.; Osuna, C.; Schar, C.; Schulthess, T. C.; Vogt, H.

2017-12-01

In the recent years, first decade-long kilometer-scale resolution RCM simulations have been performed on continental-scale computational domains. However, the size of the planet Earth is still an order of magnitude larger and thus the computational implications of performing global climate simulations at this resolution are challenging. We explore the gap between the currently established RCM simulations and global simulations by scaling the GPU accelerated version of the COSMO model to a near-global computational domain. To this end, the evolution of an idealized moist baroclinic wave has been simulated over the course of 10 days with a grid spacing of up to 930 m. The computational mesh employs 36'000 x 16'001 x 60 grid points and covers 98.4% of the planet's surface. The code shows perfect weak scaling up to 4'888 Nodes of the Piz Daint supercomputer and yields 0.043 simulated years per day (SYPD) which is approximately one seventh of the 0.2-0.3 SYPD required to conduct AMIP-type simulations. However, at half the resolution (1.9 km) we've observed 0.23 SYPD. Besides formation of frontal precipitating systems containing embedded explicitly-resolved convective motions, the simulations reveal a secondary instability that leads to cut-off warm-core cyclonic vortices in the cyclone's core, once the grid spacing is refined to the kilometer scale. The explicit representation of embedded moist convection and the representation of the previously unresolved instabilities exhibit a physically different behavior in comparison to coarser-resolution simulations. The study demonstrates that global climate simulations using kilometer-scale resolution are imminent and serves as a baseline benchmark for global climate model applications and future exascale supercomputing systems.

Large-scale dynamo growth rates from numerical simulations and implications for mean-field theories

NASA Astrophysics Data System (ADS)

Park, Kiwan; Blackman, Eric G.; Subramanian, Kandaswamy

2013-05-01

Understanding large-scale magnetic field growth in turbulent plasmas in the magnetohydrodynamic limit is a goal of magnetic dynamo theory. In particular, assessing how well large-scale helical field growth and saturation in simulations match those predicted by existing theories is important for progress. Using numerical simulations of isotropically forced turbulence without large-scale shear with its implications, we focus on several additional aspects of this comparison: (1) Leading mean-field dynamo theories which break the field into large and small scales predict that large-scale helical field growth rates are determined by the difference between kinetic helicity and current helicity with no dependence on the nonhelical energy in small-scale magnetic fields. Our simulations show that the growth rate of the large-scale field from fully helical forcing is indeed unaffected by the presence or absence of small-scale magnetic fields amplified in a precursor nonhelical dynamo. However, because the precursor nonhelical dynamo in our simulations produced fields that were strongly subequipartition with respect to the kinetic energy, we cannot yet rule out the potential influence of stronger nonhelical small-scale fields. (2) We have identified two features in our simulations which cannot be explained by the most minimalist versions of two-scale mean-field theory: (i) fully helical small-scale forcing produces significant nonhelical large-scale magnetic energy and (ii) the saturation of the large-scale field growth is time delayed with respect to what minimalist theory predicts. We comment on desirable generalizations to the theory in this context and future desired work.

Large-scale dynamo growth rates from numerical simulations and implications for mean-field theories.

PubMed

Park, Kiwan; Blackman, Eric G; Subramanian, Kandaswamy

2013-05-01

Understanding large-scale magnetic field growth in turbulent plasmas in the magnetohydrodynamic limit is a goal of magnetic dynamo theory. In particular, assessing how well large-scale helical field growth and saturation in simulations match those predicted by existing theories is important for progress. Using numerical simulations of isotropically forced turbulence without large-scale shear with its implications, we focus on several additional aspects of this comparison: (1) Leading mean-field dynamo theories which break the field into large and small scales predict that large-scale helical field growth rates are determined by the difference between kinetic helicity and current helicity with no dependence on the nonhelical energy in small-scale magnetic fields. Our simulations show that the growth rate of the large-scale field from fully helical forcing is indeed unaffected by the presence or absence of small-scale magnetic fields amplified in a precursor nonhelical dynamo. However, because the precursor nonhelical dynamo in our simulations produced fields that were strongly subequipartition with respect to the kinetic energy, we cannot yet rule out the potential influence of stronger nonhelical small-scale fields. (2) We have identified two features in our simulations which cannot be explained by the most minimalist versions of two-scale mean-field theory: (i) fully helical small-scale forcing produces significant nonhelical large-scale magnetic energy and (ii) the saturation of the large-scale field growth is time delayed with respect to what minimalist theory predicts. We comment on desirable generalizations to the theory in this context and future desired work.

49 CFR 239.105 - Debriefing and critique.

Code of Federal Regulations, 2013 CFR

2013-10-01

... emergency situation or full-scale simulation to determine the effectiveness of its emergency preparedness... passenger train emergency situation or full-scale simulation. (b) Exceptions. (1) No debriefing and critique...; (2) How much time elapsed between the occurrence of the emergency situation or full-scale simulation...

49 CFR 239.105 - Debriefing and critique.

Code of Federal Regulations, 2011 CFR

2011-10-01

... emergency situation or full-scale simulation to determine the effectiveness of its emergency preparedness... passenger train emergency situation or full-scale simulation. (b) Exceptions. (1) No debriefing and critique...; (2) How much time elapsed between the occurrence of the emergency situation or full-scale simulation...

49 CFR 239.105 - Debriefing and critique.

Code of Federal Regulations, 2010 CFR

2010-10-01

... emergency situation or full-scale simulation to determine the effectiveness of its emergency preparedness... passenger train emergency situation or full-scale simulation. (b) Exceptions. (1) No debriefing and critique...; (2) How much time elapsed between the occurrence of the emergency situation or full-scale simulation...

49 CFR 239.105 - Debriefing and critique.

Code of Federal Regulations, 2012 CFR

2012-10-01

... emergency situation or full-scale simulation to determine the effectiveness of its emergency preparedness... passenger train emergency situation or full-scale simulation. (b) Exceptions. (1) No debriefing and critique...; (2) How much time elapsed between the occurrence of the emergency situation or full-scale simulation...

Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers.

PubMed

Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne

2018-01-01

State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems.

Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers

PubMed Central

Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne

2018-01-01

State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems. PMID:29503613

Determining erosion relevant soil characteristics with a small-scale rainfall simulator

NASA Astrophysics Data System (ADS)

Schindewolf, M.; Schmidt, J.

2009-04-01

The use of soil erosion models is of great importance in soil and water conservation. Routine application of these models on the regional scale is not at least limited by the high parameter demands. Although the EROSION 3D simulation model is operating with a comparable low number of parameters, some of the model input variables could only be determined by rainfall simulation experiments. The existing data base of EROSION 3D was created in the mid 90s based on large-scale rainfall simulation experiments on 22x2m sized experimental plots. Up to now this data base does not cover all soil and field conditions adequately. Therefore a new campaign of experiments would be essential to produce additional information especially with respect to the effects of new soil management practices (e.g. long time conservation tillage, non tillage). The rainfall simulator used in the actual campaign consists of 30 identic modules, which are equipped with oscillating rainfall nozzles. Veejet 80/100 (Spraying Systems Co., Wheaton, IL) are used in order to ensure best possible comparability to natural rainfalls with respect to raindrop size distribution and momentum transfer. Central objectives of the small-scale rainfall simulator are - effectively application - provision of comparable results to large-scale rainfall simulation experiments. A crucial problem in using the small scale simulator is the restriction on rather small volume rates of surface runoff. Under this conditions soil detachment is governed by raindrop impact. Thus impact of surface runoff on particle detachment cannot be reproduced adequately by a small-scale rainfall simulator With this problem in mind this paper presents an enhanced small-scale simulator which allows a virtual multiplication of the plot length by feeding additional sediment loaded water to the plot from upstream. Thus is possible to overcome the plot length limited to 3m while reproducing nearly similar flow conditions as in rainfall experiments on standard plots. The simulator is extensively applied to plots of different soil types, crop types and management systems. The comparison with existing data sets obtained by large-scale rainfall simulations show that results can adequately be reproduced by the applied combination of small-scale rainfall simulator and sediment loaded water influx.

SCALE-UP OF RAPID SMALL-SCALE ADSORPTION TESTS TO FIELD-SCALE ADSORBERS: THEORETICAL AND EXPERIMENTAL BASIS

EPA Science Inventory

Design of full-scale adsorption systems typically includes expensive and time-consuming pilot studies to simulate full-scale adsorber performance. Accordingly, the rapid small-scale column test (RSSCT) was developed and evaluated experimentally. The RSSCT can simulate months of f...

A Study on Fast Gates for Large-Scale Quantum Simulation with Trapped Ions

PubMed Central

Taylor, Richard L.; Bentley, Christopher D. B.; Pedernales, Julen S.; Lamata, Lucas; Solano, Enrique; Carvalho, André R. R.; Hope, Joseph J.

2017-01-01

Large-scale digital quantum simulations require thousands of fundamental entangling gates to construct the simulated dynamics. Despite success in a variety of small-scale simulations, quantum information processing platforms have hitherto failed to demonstrate the combination of precise control and scalability required to systematically outmatch classical simulators. We analyse how fast gates could enable trapped-ion quantum processors to achieve the requisite scalability to outperform classical computers without error correction. We analyze the performance of a large-scale digital simulator, and find that fidelity of around 70% is realizable for π-pulse infidelities below 10−5 in traps subject to realistic rates of heating and dephasing. This scalability relies on fast gates: entangling gates faster than the trap period. PMID:28401945

A Study on Fast Gates for Large-Scale Quantum Simulation with Trapped Ions.

PubMed

Taylor, Richard L; Bentley, Christopher D B; Pedernales, Julen S; Lamata, Lucas; Solano, Enrique; Carvalho, André R R; Hope, Joseph J

2017-04-12

Large-scale digital quantum simulations require thousands of fundamental entangling gates to construct the simulated dynamics. Despite success in a variety of small-scale simulations, quantum information processing platforms have hitherto failed to demonstrate the combination of precise control and scalability required to systematically outmatch classical simulators. We analyse how fast gates could enable trapped-ion quantum processors to achieve the requisite scalability to outperform classical computers without error correction. We analyze the performance of a large-scale digital simulator, and find that fidelity of around 70% is realizable for π-pulse infidelities below 10 -5 in traps subject to realistic rates of heating and dephasing. This scalability relies on fast gates: entangling gates faster than the trap period.

Error simulation of paired-comparison-based scaling methods

NASA Astrophysics Data System (ADS)

Cui, Chengwu

2000-12-01

Subjective image quality measurement usually resorts to psycho physical scaling. However, it is difficult to evaluate the inherent precision of these scaling methods. Without knowing the potential errors of the measurement, subsequent use of the data can be misleading. In this paper, the errors on scaled values derived form paired comparison based scaling methods are simulated with randomly introduced proportion of choice errors that follow the binomial distribution. Simulation results are given for various combinations of the number of stimuli and the sampling size. The errors are presented in the form of average standard deviation of the scaled values and can be fitted reasonably well with an empirical equation that can be sued for scaling error estimation and measurement design. The simulation proves paired comparison based scaling methods can have large errors on the derived scaled values when the sampling size and the number of stimuli are small. Examples are also given to show the potential errors on actually scaled values of color image prints as measured by the method of paired comparison.

The Effect of Lateral Boundary Values on Atmospheric Mercury Simulations with the CMAQ Model

EPA Science Inventory

Simulation results from three global-scale models of atmospheric mercury have been used to define three sets of initial condition and boundary condition (IC/BC) data for regional-scale model simulations over North America using the Community Multi-scale Air Quality (CMAQ) model. ...

A Parallel Sliding Region Algorithm to Make Agent-Based Modeling Possible for a Large-Scale Simulation: Modeling Hepatitis C Epidemics in Canada.

PubMed

Wong, William W L; Feng, Zeny Z; Thein, Hla-Hla

2016-11-01

Agent-based models (ABMs) are computer simulation models that define interactions among agents and simulate emergent behaviors that arise from the ensemble of local decisions. ABMs have been increasingly used to examine trends in infectious disease epidemiology. However, the main limitation of ABMs is the high computational cost for a large-scale simulation. To improve the computational efficiency for large-scale ABM simulations, we built a parallelizable sliding region algorithm (SRA) for ABM and compared it to a nonparallelizable ABM. We developed a complex agent network and performed two simulations to model hepatitis C epidemics based on the real demographic data from Saskatchewan, Canada. The first simulation used the SRA that processed on each postal code subregion subsequently. The second simulation processed the entire population simultaneously. It was concluded that the parallelizable SRA showed computational time saving with comparable results in a province-wide simulation. Using the same method, SRA can be generalized for performing a country-wide simulation. Thus, this parallel algorithm enables the possibility of using ABM for large-scale simulation with limited computational resources.

Fast Generation of Ensembles of Cosmological N-Body Simulations via Mode-Resampling

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

Schneider, M D; Cole, S; Frenk, C S

2011-02-14

We present an algorithm for quickly generating multiple realizations of N-body simulations to be used, for example, for cosmological parameter estimation from surveys of large-scale structure. Our algorithm uses a new method to resample the large-scale (Gaussian-distributed) Fourier modes in a periodic N-body simulation box in a manner that properly accounts for the nonlinear mode-coupling between large and small scales. We find that our method for adding new large-scale mode realizations recovers the nonlinear power spectrum to sub-percent accuracy on scales larger than about half the Nyquist frequency of the simulation box. Using 20 N-body simulations, we obtain a powermore » spectrum covariance matrix estimate that matches the estimator from Takahashi et al. (from 5000 simulations) with < 20% errors in all matrix elements. Comparing the rates of convergence, we determine that our algorithm requires {approx}8 times fewer simulations to achieve a given error tolerance in estimates of the power spectrum covariance matrix. The degree of success of our algorithm indicates that we understand the main physical processes that give rise to the correlations in the matter power spectrum. Namely, the large-scale Fourier modes modulate both the degree of structure growth through the variation in the effective local matter density and also the spatial frequency of small-scale perturbations through large-scale displacements. We expect our algorithm to be useful for noise modeling when constraining cosmological parameters from weak lensing (cosmic shear) and galaxy surveys, rescaling summary statistics of N-body simulations for new cosmological parameter values, and any applications where the influence of Fourier modes larger than the simulation size must be accounted for.« less

A new deadlock resolution protocol and message matching algorithm for the extreme-scale simulator

DOE PAGES

Engelmann, Christian; Naughton, III, Thomas J.

2016-03-22

Investigating the performance of parallel applications at scale on future high-performance computing (HPC) architectures and the performance impact of different HPC architecture choices is an important component of HPC hardware/software co-design. The Extreme-scale Simulator (xSim) is a simulation toolkit for investigating the performance of parallel applications at scale. xSim scales to millions of simulated Message Passing Interface (MPI) processes. The overhead introduced by a simulation tool is an important performance and productivity aspect. This paper documents two improvements to xSim: (1)~a new deadlock resolution protocol to reduce the parallel discrete event simulation overhead and (2)~a new simulated MPI message matchingmore » algorithm to reduce the oversubscription management overhead. The results clearly show a significant performance improvement. The simulation overhead for running the NAS Parallel Benchmark suite was reduced from 102% to 0% for the embarrassingly parallel (EP) benchmark and from 1,020% to 238% for the conjugate gradient (CG) benchmark. xSim offers a highly accurate simulation mode for better tracking of injected MPI process failures. Furthermore, with highly accurate simulation, the overhead was reduced from 3,332% to 204% for EP and from 37,511% to 13,808% for CG.« less

Scaling and pedotransfer in numerical simulations of flow and transport in soils

USDA-ARS?s Scientific Manuscript database

Flow and transport parameters of soils in numerical simulations need to be defined at the support scale of computational grid cells. Such support scale can substantially differ from the support scale in laboratory or field measurements of flow and transport parameters. The scale-dependence of flow a...

Simulation of traumatic brain injury symptoms on the Personality Assessment Inventory: an analogue study.

PubMed

Keiski, Michelle A; Shore, Douglas L; Hamilton, Joanna M; Malec, James F

2015-04-01

The purpose of this study was to characterize the operating characteristics of the Personality Assessment Inventory (PAI) validity scales in distinguishing simulators feigning symptoms of traumatic brain injury (TBI) while completing the PAI (n = 84) from a clinical sample of patients with TBI who achieved adequate scores on performance validity tests (n = 112). The simulators were divided into two groups: (a) Specific Simulators feigning cognitive and somatic symptoms only or (b) Global Simulators feigning cognitive, somatic, and psychiatric symptoms. The PAI overreporting scales were indeed sensitive to the simulation of TBI symptoms in this analogue design. However, these scales were less sensitive to the feigning of somatic and cognitive TBI symptoms than the feigning of a broad range of cognitive, somatic, and emotional symptoms often associated with TBI. The relationships of TBI simulation to consistency and underreporting scales are also explored. © The Author(s) 2014.

On the limitations of General Circulation Climate Models

NASA Technical Reports Server (NTRS)

Stone, Peter H.; Risbey, James S.

1990-01-01

General Circulation Models (GCMs) by definition calculate large-scale dynamical and thermodynamical processes and their associated feedbacks from first principles. This aspect of GCMs is widely believed to give them an advantage in simulating global scale climate changes as compared to simpler models which do not calculate the large-scale processes from first principles. However, it is pointed out that the meridional transports of heat simulated GCMs used in climate change experiments differ from observational analyses and from other GCMs by as much as a factor of two. It is also demonstrated that GCM simulations of the large scale transports of heat are sensitive to the (uncertain) subgrid scale parameterizations. This leads to the question whether current GCMs are in fact superior to simpler models for simulating temperature changes associated with global scale climate change.

Dislocation dynamics simulations of plasticity at small scales

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

Zhou, Caizhi

2010-01-01

As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this researchmore » is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.« less

Simulation of nitrate reduction in groundwater - An upscaling approach from small catchments to the Baltic Sea basin

NASA Astrophysics Data System (ADS)

Hansen, A. L.; Donnelly, C.; Refsgaard, J. C.; Karlsson, I. B.

2018-01-01

This paper describes a modeling approach proposed to simulate the impact of local-scale, spatially targeted N-mitigation measures for the Baltic Sea Basin. Spatially targeted N-regulations aim at exploiting the considerable spatial differences in the natural N-reduction taking place in groundwater and surface water. While such measures can be simulated using local-scale physically-based catchment models, use of such detailed models for the 1.8 million km2 Baltic Sea basin is not feasible due to constraints on input data and computing power. Large-scale models that are able to simulate the Baltic Sea basin, on the other hand, do not have adequate spatial resolution to simulate some of the field-scale measures. Our methodology combines knowledge and results from two local-scale physically-based MIKE SHE catchment models, the large-scale and more conceptual E-HYPE model, and auxiliary data in order to enable E-HYPE to simulate how spatially targeted regulation of agricultural practices may affect N-loads to the Baltic Sea. We conclude that the use of E-HYPE with this upscaling methodology enables the simulation of the impact on N-loads of applying a spatially targeted regulation at the Baltic Sea basin scale to the correct order-of-magnitude. The E-HYPE model together with the upscaling methodology therefore provides a sound basis for large-scale policy analysis; however, we do not expect it to be sufficiently accurate to be useful for the detailed design of local-scale measures.

Impacts of different characterizations of large-scale background on simulated regional-scale ozone over the continental United States

NASA Astrophysics Data System (ADS)

Hogrefe, Christian; Liu, Peng; Pouliot, George; Mathur, Rohit; Roselle, Shawn; Flemming, Johannes; Lin, Meiyun; Park, Rokjin J.

2018-03-01

This study analyzes simulated regional-scale ozone burdens both near the surface and aloft, estimates process contributions to these burdens, and calculates the sensitivity of the simulated regional-scale ozone burden to several key model inputs with a particular emphasis on boundary conditions derived from hemispheric or global-scale models. The Community Multiscale Air Quality (CMAQ) model simulations supporting this analysis were performed over the continental US for the year 2010 within the context of the Air Quality Model Evaluation International Initiative (AQMEII) and Task Force on Hemispheric Transport of Air Pollution (TF-HTAP) activities. CMAQ process analysis (PA) results highlight the dominant role of horizontal and vertical advection on the ozone burden in the mid-to-upper troposphere and lower stratosphere. Vertical mixing, including mixing by convective clouds, couples fluctuations in free-tropospheric ozone to ozone in lower layers. Hypothetical bounding scenarios were performed to quantify the effects of emissions, boundary conditions, and ozone dry deposition on the simulated ozone burden. Analysis of these simulations confirms that the characterization of ozone outside the regional-scale modeling domain can have a profound impact on simulated regional-scale ozone. This was further investigated by using data from four hemispheric or global modeling systems (Chemistry - Integrated Forecasting Model (C-IFS), CMAQ extended for hemispheric applications (H-CMAQ), the Goddard Earth Observing System model coupled to chemistry (GEOS-Chem), and AM3) to derive alternate boundary conditions for the regional-scale CMAQ simulations. The regional-scale CMAQ simulations using these four different boundary conditions showed that the largest ozone abundance in the upper layers was simulated when using boundary conditions from GEOS-Chem, followed by the simulations using C-IFS, AM3, and H-CMAQ boundary conditions, consistent with the analysis of the ozone fields from the global models along the CMAQ boundaries. Using boundary conditions from AM3 yielded higher springtime ozone columns burdens in the middle and lower troposphere compared to boundary conditions from the other models. For surface ozone, the differences between the AM3-driven CMAQ simulations and the CMAQ simulations driven by other large-scale models are especially pronounced during spring and winter where they can reach more than 10 ppb for seasonal mean ozone mixing ratios and as much as 15 ppb for domain-averaged daily maximum 8 h average ozone on individual days. In contrast, the differences between the C-IFS-, GEOS-Chem-, and H-CMAQ-driven regional-scale CMAQ simulations are typically smaller. Comparing simulated surface ozone mixing ratios to observations and computing seasonal and regional model performance statistics revealed that boundary conditions can have a substantial impact on model performance. Further analysis showed that boundary conditions can affect model performance across the entire range of the observed distribution, although the impacts tend to be lower during summer and for the very highest observed percentiles. The results are discussed in the context of future model development and analysis opportunities.

Development and validation of the Simulation Learning Effectiveness Scale for nursing students.

PubMed

Pai, Hsiang-Chu

2016-11-01

To develop and validate the Simulation Learning Effectiveness Scale, which is based on Bandura's social cognitive theory. A simulation programme is a significant teaching strategy for nursing students. Nevertheless, there are few evidence-based instruments that validate the effectiveness of simulation learning in Taiwan. This is a quantitative descriptive design. In Study 1, a nonprobability convenience sample of 151 student nurses completed the Simulation Learning Effectiveness Scale. Exploratory factor analysis was used to examine the factor structure of the instrument. In Study 2, which involved 365 student nurses, confirmatory factor analysis and structural equation modelling were used to analyse the construct validity of the Simulation Learning Effectiveness Scale. In Study 1, exploratory factor analysis yielded three components: self-regulation, self-efficacy and self-motivation. The three factors explained 29·09, 27·74 and 19·32% of the variance, respectively. The final 12-item instrument with the three factors explained 76·15% of variance. Cronbach's alpha was 0·94. In Study 2, confirmatory factor analysis identified a second-order factor termed Simulation Learning Effectiveness Scale. Goodness-of-fit indices showed an acceptable fit overall with the full model (χ 2 /df (51) = 3·54, comparative fit index = 0·96, Tucker-Lewis index = 0·95 and standardised root-mean-square residual = 0·035). In addition, teacher's competence was found to encourage learning, and self-reflection and insight were significantly and positively associated with Simulation Learning Effectiveness Scale. Teacher's competence in encouraging learning also was significantly and positively associated with self-reflection and insight. Overall, theses variable explained 21·9% of the variance in the student's learning effectiveness. The Simulation Learning Effectiveness Scale is a reliable and valid means to assess simulation learning effectiveness for nursing students. The Simulation Learning Effectiveness Scale can be used to examine nursing students' learning effectiveness and serve as a basis to improve student's learning efficiency through simulation programmes. Future implementation research that focuses on the relationship between learning effectiveness and nursing competence in nursing students is recommended. © 2016 John Wiley & Sons Ltd.

Multi-scale modeling in cell biology

PubMed Central

Meier-Schellersheim, Martin; Fraser, Iain D. C.; Klauschen, Frederick

2009-01-01

Biomedical research frequently involves performing experiments and developing hypotheses that link different scales of biological systems such as, for instance, the scales of intracellular molecular interactions to the scale of cellular behavior and beyond to the behavior of cell populations. Computational modeling efforts that aim at exploring such multi-scale systems quantitatively with the help of simulations have to incorporate several different simulation techniques due to the different time and space scales involved. Here, we provide a non-technical overview of how different scales of experimental research can be combined with the appropriate computational modeling techniques. We also show that current modeling software permits building and simulating multi-scale models without having to become involved with the underlying technical details of computational modeling. PMID:20448808

Simulation of Mesoscale Cellular Convection in Marine Stratocumulus. Part I: Drizzling Conditions

DOE PAGES

Zhou, Xiaoli; Ackerman, Andrew S.; Fridlind, Ann M.; ...

2018-01-01

This study uses eddy-permitting simulations to investigate the mechanisms that promote mesoscale variability of moisture in drizzling stratocumulus-topped marine boundary layers. Simulations show that precipitation tends to increase horizontal scales. Analysis of terms in the prognostic equation for total water mixing ratio variance indicates that moisture stratification plays a leading role in setting horizontal scales. This result is supported by simulations in which horizontal mean thermodynamic profiles are strongly nudged to their initial well-mixed state, which limits cloud scales. It is found that the spatial variability of subcloud moist cold pools surprisingly tends to respond to, rather than determine, themore » mesoscale variability, which may distinguish them from dry cold pools associated with deeper convection. Finally, simulations also indicate that moisture stratification increases cloud scales specifically by increasing latent heating within updrafts, which increases updraft buoyancy and favors greater horizontal scales.« less

Simulation of Mesoscale Cellular Convection in Marine Stratocumulus. Part I: Drizzling Conditions

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

Zhou, Xiaoli; Ackerman, Andrew S.; Fridlind, Ann M.

This study uses eddy-permitting simulations to investigate the mechanisms that promote mesoscale variability of moisture in drizzling stratocumulus-topped marine boundary layers. Simulations show that precipitation tends to increase horizontal scales. Analysis of terms in the prognostic equation for total water mixing ratio variance indicates that moisture stratification plays a leading role in setting horizontal scales. This result is supported by simulations in which horizontal mean thermodynamic profiles are strongly nudged to their initial well-mixed state, which limits cloud scales. It is found that the spatial variability of subcloud moist cold pools surprisingly tends to respond to, rather than determine, themore » mesoscale variability, which may distinguish them from dry cold pools associated with deeper convection. Finally, simulations also indicate that moisture stratification increases cloud scales specifically by increasing latent heating within updrafts, which increases updraft buoyancy and favors greater horizontal scales.« less

Propulsion simulator for magnetically-suspended wind tunnel models

NASA Technical Reports Server (NTRS)

Joshi, Prakash B.; Goldey, C. L.; Sacco, G. P.; Lawing, Pierce L.

1991-01-01

The objective of phase two of a current investigation sponsored by NASA Langley Research Center is to demonstrate the measurement of aerodynamic forces/moments, including the effects of exhaust gases, in magnetic suspension and balance system (MSBS) wind tunnels. Two propulsion simulator models are being developed: a small-scale and a large-scale unit, both employing compressed, liquified carbon dioxide as propellant. The small-scale unit was designed, fabricated, and statically-tested at Physical Sciences Inc. (PSI). The large-scale simulator is currently in the preliminary design stage. The small-scale simulator design/development is presented, and the data from its static firing on a thrust stand are discussed. The analysis of this data provides important information for the design of the large-scale unit. A description of the preliminary design of the device is also presented.

Integrated simulation of continuous-scale and discrete-scale radiative transfer in metal foams

NASA Astrophysics Data System (ADS)

Xia, Xin-Lin; Li, Yang; Sun, Chuang; Ai, Qing; Tan, He-Ping

2018-06-01

A novel integrated simulation of radiative transfer in metal foams is presented. It integrates the continuous-scale simulation with the direct discrete-scale simulation in a single computational domain. It relies on the coupling of the real discrete-scale foam geometry with the equivalent continuous-scale medium through a specially defined scale-coupled zone. This zone holds continuous but nonhomogeneous volumetric radiative properties. The scale-coupled approach is compared to the traditional continuous-scale approach using volumetric radiative properties in the equivalent participating medium and to the direct discrete-scale approach employing the real 3D foam geometry obtained by computed tomography. All the analyses are based on geometrical optics. The Monte Carlo ray-tracing procedure is used for computations of the absorbed radiative fluxes and the apparent radiative behaviors of metal foams. The results obtained by the three approaches are in tenable agreement. The scale-coupled approach is fully validated in calculating the apparent radiative behaviors of metal foams composed of very absorbing to very reflective struts and that composed of very rough to very smooth struts. This new approach leads to a reduction in computational time by approximately one order of magnitude compared to the direct discrete-scale approach. Meanwhile, it can offer information on the local geometry-dependent feature and at the same time the equivalent feature in an integrated simulation. This new approach is promising to combine the advantages of the continuous-scale approach (rapid calculations) and direct discrete-scale approach (accurate prediction of local radiative quantities).

Scaling of hydrologic and erosion parameters derived from rainfall simulation

NASA Astrophysics Data System (ADS)

Sheridan, Gary; Lane, Patrick; Noske, Philip; Sherwin, Christopher

2010-05-01

Rainfall simulation experiments conducted at the temporal scale of minutes and the spatial scale of meters are often used to derive parameters for erosion and water quality models that operate at much larger temporal and spatial scales. While such parameterization is convenient, there has been little effort to validate this approach via nested experiments across these scales. In this paper we first review the literature relevant to some of these long acknowledged issues. We then present rainfall simulation and erosion plot data from a range of sources, including mining, roading, and forestry, to explore the issues associated with the scaling of parameters such as infiltration properties and erodibility coefficients.

Multi-scale gyrokinetic simulation of Alcator C-Mod tokamak discharges

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

Howard, N. T., E-mail: nthoward@psfc.mit.edu; White, A. E.; Greenwald, M.

2014-03-15

Alcator C-Mod tokamak discharges have been studied with nonlinear gyrokinetic simulation simultaneously spanning both ion and electron spatiotemporal scales. These multi-scale simulations utilized the gyrokinetic model implemented by GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] and the approximation of reduced electron mass (μ = (m{sub D}/m{sub e}){sup .5} = 20.0) to qualitatively study a pair of Alcator C-Mod discharges: a low-power discharge, previously demonstrated (using realistic mass, ion-scale simulation) to display an under-prediction of the electron heat flux and a high-power discharge displaying agreement with both ion and electron heat flux channels [N. T. Howard et al.,more » Nucl. Fusion 53, 123011 (2013)]. These multi-scale simulations demonstrate the importance of electron-scale turbulence in the core of conventional tokamak discharges and suggest it is a viable candidate for explaining the observed under-prediction of electron heat flux. In this paper, we investigate the coupling of turbulence at the ion (k{sub θ}ρ{sub s}∼O(1.0)) and electron (k{sub θ}ρ{sub e}∼O(1.0)) scales for experimental plasma conditions both exhibiting strong (high-power) and marginally stable (low-power) low-k (k{sub θ}ρ{sub s} < 1.0) turbulence. It is found that reduced mass simulation of the plasma exhibiting marginally stable low-k turbulence fails to provide even qualitative insight into the turbulence present in the realistic plasma conditions. In contrast, multi-scale simulation of the plasma condition exhibiting strong turbulence provides valuable insight into the coupling of the ion and electron scales.« less

DIFFUSION IN THE VICINITY OF STANDARD-DESIGN NUCLEAR POWER PLANTS-I. WIND-TUNNEL EVALUATION OF DIFFUSIVE CHARACTERISTICS OF A SIMULATED SUBURBAN NEUTRAL ATMOSPHERIC BOUNDARY LAYER

EPA Science Inventory

A large meteorological wind tunnel was used to simulate a suburban atmospheric boundary layer. The model-prototype scale was 1:300 and the roughness length was approximately 1.0 m full scale. The model boundary layer simulated full scale dispersion from ground-level and elevated ...

Thermo-Oxidative Induced Damage in Polymer Composites: Microstructure Image-Based Multi-Scale Modeling and Experimental Validation

NASA Astrophysics Data System (ADS)

Hussein, Rafid M.; Chandrashekhara, K.

2017-11-01

A multi-scale modeling approach is presented to simulate and validate thermo-oxidation shrinkage and cracking damage of a high temperature polymer composite. The multi-scale approach investigates coupled transient diffusion-reaction and static structural at macro- to micro-scale. The micro-scale shrinkage deformation and cracking damage are simulated and validated using 2D and 3D simulations. Localized shrinkage displacement boundary conditions for the micro-scale simulations are determined from the respective meso- and macro-scale simulations, conducted for a cross-ply laminate. The meso-scale geometrical domain and the micro-scale geometry and mesh are developed using the object oriented finite element (OOF). The macro-scale shrinkage and weight loss are measured using unidirectional coupons and used to build the macro-shrinkage model. The cross-ply coupons are used to validate the macro-shrinkage model by the shrinkage profiles acquired using scanning electron images at the cracked surface. The macro-shrinkage model deformation shows a discrepancy when the micro-scale image-based cracking is computed. The local maximum shrinkage strain is assumed to be 13 times the maximum macro-shrinkage strain of 2.5 × 10-5, upon which the discrepancy is minimized. The microcrack damage of the composite is modeled using a static elastic analysis with extended finite element and cohesive surfaces by considering the modulus spatial evolution. The 3D shrinkage displacements are fed to the model using node-wise boundary/domain conditions of the respective oxidized region. Microcrack simulation results: length, meander, and opening are closely matched to the crack in the area of interest for the scanning electron images.

Model simulations and proxy-based reconstructions for the European region in the past millennium (Invited)

NASA Astrophysics Data System (ADS)

Zorita, E.

2009-12-01

One of the objectives when comparing simulations of past climates to proxy-based climate reconstructions is to asses the skill of climate models to simulate climate change. This comparison may accomplished at large spatial scales, for instance the evolution of simulated and reconstructed Northern Hemisphere annual temperature, or at regional or point scales. In both approaches a 'fair' comparison has to take into account different aspects that affect the inevitable uncertainties and biases in the simulations and in the reconstructions. These efforts face a trade-off: climate models are believed to be more skillful at large hemispheric scales, but climate reconstructions are these scales are burdened by the spatial distribution of available proxies and by methodological issues surrounding the statistical method used to translate the proxy information into large-spatial averages. Furthermore, the internal climatic noise at large hemispheric scales is low, so that the sampling uncertainty tends to be also low. On the other hand, the skill of climate models at regional scales is limited by the coarse spatial resolution, which hinders a faithful representation of aspects important for the regional climate. At small spatial scales, the reconstruction of past climate probably faces less methodological problems if information from different proxies is available. The internal climatic variability at regional scales is, however, high. In this contribution some examples of the different issues faced when comparing simulation and reconstructions at small spatial scales in the past millennium are discussed. These examples comprise reconstructions from dendrochronological data and from historical documentary data in Europe and climate simulations with global and regional models. These examples indicate that the centennial climate variations can offer a reasonable target to assess the skill of global climate models and of proxy-based reconstructions, even at small spatial scales. However, as the focus shifts towards higher frequency variability, decadal or multidecadal, the need for larger simulation ensembles becomes more evident. Nevertheless,the comparison at these time scales may expose some lines of research on the origin of multidecadal regional climate variability.

Development of fine-resolution analyses and expanded large-scale forcing properties. Part II: Scale-awareness and application to single-column model experiments

DOE PAGES

Feng, Sha; Vogelmann, Andrew M.; Li, Zhijin; ...

2015-01-20

Fine-resolution three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy’s Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multi-scale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scalesmore » larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 (CAM5) is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.« less

Performance Comparison of the Digital Neuromorphic Hardware SpiNNaker and the Neural Network Simulation Software NEST for a Full-Scale Cortical Microcircuit Model

PubMed Central

van Albada, Sacha J.; Rowley, Andrew G.; Senk, Johanna; Hopkins, Michael; Schmidt, Maximilian; Stokes, Alan B.; Lester, David R.; Diesmann, Markus; Furber, Steve B.

2018-01-01

The digital neuromorphic hardware SpiNNaker has been developed with the aim of enabling large-scale neural network simulations in real time and with low power consumption. Real-time performance is achieved with 1 ms integration time steps, and thus applies to neural networks for which faster time scales of the dynamics can be neglected. By slowing down the simulation, shorter integration time steps and hence faster time scales, which are often biologically relevant, can be incorporated. We here describe the first full-scale simulations of a cortical microcircuit with biological time scales on SpiNNaker. Since about half the synapses onto the neurons arise within the microcircuit, larger cortical circuits have only moderately more synapses per neuron. Therefore, the full-scale microcircuit paves the way for simulating cortical circuits of arbitrary size. With approximately 80, 000 neurons and 0.3 billion synapses, this model is the largest simulated on SpiNNaker to date. The scale-up is enabled by recent developments in the SpiNNaker software stack that allow simulations to be spread across multiple boards. Comparison with simulations using the NEST software on a high-performance cluster shows that both simulators can reach a similar accuracy, despite the fixed-point arithmetic of SpiNNaker, demonstrating the usability of SpiNNaker for computational neuroscience applications with biological time scales and large network size. The runtime and power consumption are also assessed for both simulators on the example of the cortical microcircuit model. To obtain an accuracy similar to that of NEST with 0.1 ms time steps, SpiNNaker requires a slowdown factor of around 20 compared to real time. The runtime for NEST saturates around 3 times real time using hybrid parallelization with MPI and multi-threading. However, achieving this runtime comes at the cost of increased power and energy consumption. The lowest total energy consumption for NEST is reached at around 144 parallel threads and 4.6 times slowdown. At this setting, NEST and SpiNNaker have a comparable energy consumption per synaptic event. Our results widen the application domain of SpiNNaker and help guide its development, showing that further optimizations such as synapse-centric network representation are necessary to enable real-time simulation of large biological neural networks. PMID:29875620

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

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

Savara, Aditya Ashi; Daw, C. Stuart; Xiong, Qingang

We propose a wavelet-based scheme that encodes the essential dynamics of discrete microscale surface reactions in a form that can be coupled with continuum macroscale flow simulations with high computational efficiency. This makes it possible to simulate the dynamic behavior of reactor-scale heterogeneous catalysis without requiring detailed concurrent simulations at both the surface and continuum scales using different models. Our scheme is based on the application of wavelet-based surrogate time series that encodes the essential temporal and/or spatial fine-scale dynamics at the catalyst surface. The encoded dynamics are then used to generate statistically equivalent, randomized surrogate time series, which canmore » be linked to the continuum scale simulation. As a result, we illustrate an application of this approach using two different kinetic Monte Carlo simulations with different characteristic behaviors typical for heterogeneous chemical reactions.« less

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

DOE PAGES

Savara, Aditya Ashi; Daw, C. Stuart; Xiong, Qingang; ...

2016-01-28

We propose a wavelet-based scheme that encodes the essential dynamics of discrete microscale surface reactions in a form that can be coupled with continuum macroscale flow simulations with high computational efficiency. This makes it possible to simulate the dynamic behavior of reactor-scale heterogeneous catalysis without requiring detailed concurrent simulations at both the surface and continuum scales using different models. Our scheme is based on the application of wavelet-based surrogate time series that encodes the essential temporal and/or spatial fine-scale dynamics at the catalyst surface. The encoded dynamics are then used to generate statistically equivalent, randomized surrogate time series, which canmore » be linked to the continuum scale simulation. As a result, we illustrate an application of this approach using two different kinetic Monte Carlo simulations with different characteristic behaviors typical for heterogeneous chemical reactions.« less

Correlation between the Truax and the Carkhuff Scales for Measurement of Empathy.

ERIC Educational Resources Information Center

Engram, Barbara E.; Vandergoot, David

1978-01-01

Assessed correspondence between the Carkhuff and the Truax scales for empathy. Undergraduates responded to nine simulated client statements. An overall correlation of .89 was found. Interrater reliabilities for both scales were high. Degree of correspondence between scales varied with the content-affect characteristics of the simulated client…

Adjoint Sensitivity Analysis for Scale-Resolving Turbulent Flow Solvers

NASA Astrophysics Data System (ADS)

Blonigan, Patrick; Garai, Anirban; Diosady, Laslo; Murman, Scott

2017-11-01

Adjoint-based sensitivity analysis methods are powerful design tools for engineers who use computational fluid dynamics. In recent years, these engineers have started to use scale-resolving simulations like large-eddy simulations (LES) and direct numerical simulations (DNS), which resolve more scales in complex flows with unsteady separation and jets than the widely-used Reynolds-averaged Navier-Stokes (RANS) methods. However, the conventional adjoint method computes large, unusable sensitivities for scale-resolving simulations, which unlike RANS simulations exhibit the chaotic dynamics inherent in turbulent flows. Sensitivity analysis based on least-squares shadowing (LSS) avoids the issues encountered by conventional adjoint methods, but has a high computational cost even for relatively small simulations. The following talk discusses a more computationally efficient formulation of LSS, ``non-intrusive'' LSS, and its application to turbulent flows simulated with a discontinuous-Galkerin spectral-element-method LES/DNS solver. Results are presented for the minimal flow unit, a turbulent channel flow with a limited streamwise and spanwise domain.

Large-scale three-dimensional phase-field simulations for phase coarsening at ultrahigh volume fraction on high-performance architectures

NASA Astrophysics Data System (ADS)

Yan, Hui; Wang, K. G.; Jones, Jim E.

2016-06-01

A parallel algorithm for large-scale three-dimensional phase-field simulations of phase coarsening is developed and implemented on high-performance architectures. From the large-scale simulations, a new kinetics in phase coarsening in the region of ultrahigh volume fraction is found. The parallel implementation is capable of harnessing the greater computer power available from high-performance architectures. The parallelized code enables increase in three-dimensional simulation system size up to a 5123 grid cube. Through the parallelized code, practical runtime can be achieved for three-dimensional large-scale simulations, and the statistical significance of the results from these high resolution parallel simulations are greatly improved over those obtainable from serial simulations. A detailed performance analysis on speed-up and scalability is presented, showing good scalability which improves with increasing problem size. In addition, a model for prediction of runtime is developed, which shows a good agreement with actual run time from numerical tests.

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

On the Scaling Laws and Similarity Spectra for Jet Noise in Subsonic and Supersonic Flow

NASA Technical Reports Server (NTRS)

Kandula, Max

2008-01-01

The scaling laws for the simulation of noise from subsonic and ideally expanded supersonic jets are reviewed with regard to their applicability to deduce full-scale conditions from small-scale model testing. Important parameters of scale model testing for the simulation of jet noise are identified, and the methods of estimating full- scale noise levels from simulated scale model data are addressed. The limitations of cold-jet data in estimating high-temperature supersonic jet noise levels are discussed. New results are presented showing the dependence of overall sound power level on the jet temperature ratio at various jet Mach numbers. A generalized similarity spectrum is also proposed, which accounts for convective Mach number and angle to the jet axis.

Simulant Development for LAWPS Testing

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

Russell, Renee L.; Schonewill, Philip P.; Burns, Carolyn A.

2017-05-23

This report describes simulant development work that was conducted to support the technology maturation of the LAWPS facility. Desired simulant physical properties (density, viscosity, solids concentration, solid particle size), sodium concentrations, and general anion identifications were provided by WRPS. The simulant recipes, particularly a “nominal” 5.6M Na simulant, are intended to be tested at several scales, ranging from bench-scale (500 mL) to full-scale. Each simulant formulation was selected to be chemically representative of the waste streams anticipated to be fed to the LAWPS system, and used the current version of the LAWPS waste specification as a formulation basis. After simulantmore » development iterations, four simulants of varying sodium concentration (5.6M, 6.0M, 4.0M, and 8.0M) were prepared and characterized. The formulation basis, development testing, and final simulant recipes and characterization data for these four simulants are presented in this report.« less

Multi-scale simulations of space problems with iPIC3D

NASA Astrophysics Data System (ADS)

Lapenta, Giovanni; Bettarini, Lapo; Markidis, Stefano

The implicit Particle-in-Cell method for the computer simulation of space plasma, and its im-plementation in a three-dimensional parallel code, called iPIC3D, are presented. The implicit integration in time of the Vlasov-Maxwell system removes the numerical stability constraints and enables kinetic plasma simulations at magnetohydrodynamics scales. Simulations of mag-netic reconnection in plasma are presented to show the effectiveness of the algorithm. In particular we will show a number of simulations done for large scale 3D systems using the physical mass ratio for Hydrogen. Most notably one simulation treats kinetically a box of tens of Earth radii in each direction and was conducted using about 16000 processors of the Pleiades NASA computer. The work is conducted in collaboration with the MMS-IDS theory team from University of Colorado (M. Goldman, D. Newman and L. Andersson). Reference: Stefano Markidis, Giovanni Lapenta, Rizwan-uddin Multi-scale simulations of plasma with iPIC3D Mathematics and Computers in Simulation, Available online 17 October 2009, http://dx.doi.org/10.1016/j.matcom.2009.08.038

The Australian Computational Earth Systems Simulator

NASA Astrophysics Data System (ADS)

Mora, P.; Muhlhaus, H.; Lister, G.; Dyskin, A.; Place, D.; Appelbe, B.; Nimmervoll, N.; Abramson, D.

2001-12-01

Numerical simulation of the physics and dynamics of the entire earth system offers an outstanding opportunity for advancing earth system science and technology but represents a major challenge due to the range of scales and physical processes involved, as well as the magnitude of the software engineering effort required. However, new simulation and computer technologies are bringing this objective within reach. Under a special competitive national funding scheme to establish new Major National Research Facilities (MNRF), the Australian government together with a consortium of Universities and research institutions have funded construction of the Australian Computational Earth Systems Simulator (ACcESS). The Simulator or computational virtual earth will provide the research infrastructure to the Australian earth systems science community required for simulations of dynamical earth processes at scales ranging from microscopic to global. It will consist of thematic supercomputer infrastructure and an earth systems simulation software system. The Simulator models and software will be constructed over a five year period by a multi-disciplinary team of computational scientists, mathematicians, earth scientists, civil engineers and software engineers. The construction team will integrate numerical simulation models (3D discrete elements/lattice solid model, particle-in-cell large deformation finite-element method, stress reconstruction models, multi-scale continuum models etc) with geophysical, geological and tectonic models, through advanced software engineering and visualization technologies. When fully constructed, the Simulator aims to provide the software and hardware infrastructure needed to model solid earth phenomena including global scale dynamics and mineralisation processes, crustal scale processes including plate tectonics, mountain building, interacting fault system dynamics, and micro-scale processes that control the geological, physical and dynamic behaviour of earth systems. ACcESS represents a part of Australia's contribution to the APEC Cooperation for Earthquake Simulation (ACES) international initiative. Together with other national earth systems science initiatives including the Japanese Earth Simulator and US General Earthquake Model projects, ACcESS aims to provide a driver for scientific advancement and technological breakthroughs including: quantum leaps in understanding of earth evolution at global, crustal, regional and microscopic scales; new knowledge of the physics of crustal fault systems required to underpin the grand challenge of earthquake prediction; new understanding and predictive capabilities of geological processes such as tectonics and mineralisation.

Relativistic initial conditions for N-body simulations

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

Fidler, Christian; Tram, Thomas; Crittenden, Robert

2017-06-01

Initial conditions for (Newtonian) cosmological N-body simulations are usually set by re-scaling the present-day power spectrum obtained from linear (relativistic) Boltzmann codes to the desired initial redshift of the simulation. This back-scaling method can account for the effect of inhomogeneous residual thermal radiation at early times, which is absent in the Newtonian simulations. We analyse this procedure from a fully relativistic perspective, employing the recently-proposed Newtonian motion gauge framework. We find that N-body simulations for ΛCDM cosmology starting from back-scaled initial conditions can be self-consistently embedded in a relativistic space-time with first-order metric potentials calculated using a linear Boltzmann code.more » This space-time coincides with a simple ''N-body gauge'' for z < 50 for all observable modes. Care must be taken, however, when simulating non-standard cosmologies. As an example, we analyse the back-scaling method in a cosmology with decaying dark matter, and show that metric perturbations become large at early times in the back-scaling approach, indicating a breakdown of the perturbative description. We suggest a suitable ''forwards approach' for such cases.« less

Meso-scale Computational Investigation of Polyurea Microstructure and Its Role in Shockwave Attenuation/dispersion

DTIC Science & Technology

2015-07-01

grained simulations of the formation of meso-segregated microstructure and its interaction with the shockwave is analyzed in the present work. It is...help identify these phenomena and processes, meso-scale coarse-grained simulations of the formation of meso-segregated microstructure and its...of shockwave-induced hard-domain densification. Keywords: Polyurea; Meso-scale; Coarse-grained simulations ; Shockwave attenuation; shockwave

Exact-Differential Large-Scale Traffic Simulation

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

Hanai, Masatoshi; Suzumura, Toyotaro; Theodoropoulos, Georgios

2015-01-01

Analyzing large-scale traffics by simulation needs repeating execution many times with various patterns of scenarios or parameters. Such repeating execution brings about big redundancy because the change from a prior scenario to a later scenario is very minor in most cases, for example, blocking only one of roads or changing the speed limit of several roads. In this paper, we propose a new redundancy reduction technique, called exact-differential simulation, which enables to simulate only changing scenarios in later execution while keeping exactly same results as in the case of whole simulation. The paper consists of two main efforts: (i) amore » key idea and algorithm of the exact-differential simulation, (ii) a method to build large-scale traffic simulation on the top of the exact-differential simulation. In experiments of Tokyo traffic simulation, the exact-differential simulation shows 7.26 times as much elapsed time improvement in average and 2.26 times improvement even in the worst case as the whole simulation.« less

Quantifying uncertainty and computational complexity for pore-scale simulations

NASA Astrophysics Data System (ADS)

Chen, C.; Yuan, Z.; Wang, P.; Yang, X.; Zhenyan, L.

2016-12-01

Pore-scale simulation is an essential tool to understand the complex physical process in many environmental problems, from multi-phase flow in the subsurface to fuel cells. However, in practice, factors such as sample heterogeneity, data sparsity and in general, our insufficient knowledge of the underlying process, render many simulation parameters and hence the prediction results uncertain. Meanwhile, most pore-scale simulations (in particular, direct numerical simulation) incur high computational cost due to finely-resolved spatio-temporal scales, which further limits our data/samples collection. To address those challenges, we propose a novel framework based on the general polynomial chaos (gPC) and build a surrogate model representing the essential features of the underlying system. To be specific, we apply the novel framework to analyze the uncertainties of the system behavior based on a series of pore-scale numerical experiments, such as flow and reactive transport in 2D heterogeneous porous media and 3D packed beds. Comparing with recent pore-scale uncertainty quantification studies using Monte Carlo techniques, our new framework requires fewer number of realizations and hence considerably reduce the overall computational cost, while maintaining the desired accuracy.

Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations.

PubMed

Heidari, Zahra; Roe, Daniel R; Galindo-Murillo, Rodrigo; Ghasemi, Jahan B; Cheatham, Thomas E

2016-07-25

Long time scale molecular dynamics (MD) simulations of biological systems are becoming increasingly commonplace due to the availability of both large-scale computational resources and significant advances in the underlying simulation methodologies. Therefore, it is useful to investigate and develop data mining and analysis techniques to quickly and efficiently extract the biologically relevant information from the incredible amount of generated data. Wavelet analysis (WA) is a technique that can quickly reveal significant motions during an MD simulation. Here, the application of WA on well-converged long time scale (tens of μs) simulations of a DNA helix is described. We show how WA combined with a simple clustering method can be used to identify both the physical and temporal locations of events with significant motion in MD trajectories. We also show that WA can not only distinguish and quantify the locations and time scales of significant motions, but by changing the maximum time scale of WA a more complete characterization of these motions can be obtained. This allows motions of different time scales to be identified or ignored as desired.

Multi-scale Modeling of Arctic Clouds

NASA Astrophysics Data System (ADS)

Hillman, B. R.; Roesler, E. L.; Dexheimer, D.

2017-12-01

The presence and properties of clouds are critically important to the radiative budget in the Arctic, but clouds are notoriously difficult to represent in global climate models (GCMs). The challenge stems partly from a disconnect in the scales at which these models are formulated and the scale of the physical processes important to the formation of clouds (e.g., convection and turbulence). Because of this, these processes are parameterized in large-scale models. Over the past decades, new approaches have been explored in which a cloud system resolving model (CSRM), or in the extreme a large eddy simulation (LES), is embedded into each gridcell of a traditional GCM to replace the cloud and convective parameterizations to explicitly simulate more of these important processes. This approach is attractive in that it allows for more explicit simulation of small-scale processes while also allowing for interaction between the small and large-scale processes. The goal of this study is to quantify the performance of this framework in simulating Arctic clouds relative to a traditional global model, and to explore the limitations of such a framework using coordinated high-resolution (eddy-resolving) simulations. Simulations from the global model are compared with satellite retrievals of cloud fraction partioned by cloud phase from CALIPSO, and limited-area LES simulations are compared with ground-based and tethered-balloon measurements from the ARM Barrow and Oliktok Point measurement facilities.

RANS Simulation (Virtual Blade Model [VBM]) of Array of Three Coaxial Lab Scaled DOE RM1 MHK Turbine with 5D Spacing

DOE Data Explorer

Javaherchi, Teymour

2016-06-08

Attached are the .cas and .dat files along with the required User Defined Functions (UDFs) and look-up table of lift and drag coefficients for the Reynolds Averaged Navier-Stokes (RANS) simulation of three coaxially located lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study the flow field around and in the wake of the lab-scaled DOE RM1 turbines in a coaxial array is simulated using Blade Element Model (a.k.a Virtual Blade Model) by solving RANS equations coupled with k-\\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of each device and structure of their turbulent far wake. The results of these simulations were validated against the developed in-house experimental data. Simulations for other turbine configurations are available upon request.

Comparison of Large eddy dynamo simulation using dynamic sub-grid scale (SGS) model with a fully resolved direct simulation in a rotating spherical shell

NASA Astrophysics Data System (ADS)

Matsui, H.; Buffett, B. A.

2017-12-01

The flow in the Earth's outer core is expected to have vast length scale from the geometry of the outer core to the thickness of the boundary layer. Because of the limitation of the spatial resolution in the numerical simulations, sub-grid scale (SGS) modeling is required to model the effects of the unresolved field on the large-scale fields. We model the effects of sub-grid scale flow and magnetic field using a dynamic scale similarity model. Four terms are introduced for the momentum flux, heat flux, Lorentz force and magnetic induction. The model was previously used in the convection-driven dynamo in a rotating plane layer and spherical shell using the Finite Element Methods. In the present study, we perform large eddy simulations (LES) using the dynamic scale similarity model. The scale similarity model is implement in Calypso, which is a numerical dynamo model using spherical harmonics expansion. To obtain the SGS terms, the spatial filtering in the horizontal directions is done by taking the convolution of a Gaussian filter expressed in terms of a spherical harmonic expansion, following Jekeli (1981). A Gaussian field is also applied in the radial direction. To verify the present model, we perform a fully resolved direct numerical simulation (DNS) with the truncation of the spherical harmonics L = 255 as a reference. And, we perform unresolved DNS and LES with SGS model on coarser resolution (L= 127, 84, and 63) using the same control parameter as the resolved DNS. We will discuss the verification results by comparison among these simulations and role of small scale fields to large scale fields through the role of the SGS terms in LES.

Multimodel Simulation of Water Flow: Uncertainty Analysis

USDA-ARS?s Scientific Manuscript database

Simulations of soil water flow require measurements of soil hydraulic properties which are particularly difficult at the field scale. Laboratory measurements provide hydraulic properties at scales finer than the field scale, whereas pedotransfer functions (PTFs) integrate information on hydraulic pr...

Susceptibility of the MMPI-2-RF neurological complaints and cognitive complaints scales to over-reporting in simulated head injury.

PubMed

Bolinger, Elizabeth; Reese, Caitlin; Suhr, Julie; Larrabee, Glenn J

2014-02-01

We examined the effect of simulated head injury on scores on the Neurological Complaints (NUC) and Cognitive Complaints (COG) scales of the Minnesota Multiphasic Personality Inventory-2 Restructured Form (MMPI-2-RF). Young adults with a history of mild head injury were randomly assigned to simulate head injury or give their best effort on a battery of neuropsychological tests, including the MMPI-2-RF. Simulators who also showed poor effort on performance validity tests (PVTs) were compared with controls who showed valid performance on PVTs. Results showed that both scales, but especially NUC, are elevated in individuals simulating head injury, with medium to large effect sizes. Although both scales were highly correlated with all MMPI-2-RF over-reporting validity scales, the relationship of Response Bias Scale to both NUC and COG was much stronger in the simulators than controls. Even accounting for over-reporting on the MMPI-2-RF, NUC was related to general somatic complaints regardless of group membership, whereas COG was related to both psychological distress and somatic complaints in the control group only. Neither scale was related to actual neuropsychological performance, regardless of group membership. Overall, results provide further evidence that self-reported cognitive symptoms can be due to many causes, not necessarily cognitive impairment, and can be exaggerated in a non-credible manner.

Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales

PubMed Central

Ayton, Gary S.; Lyman, Edward

2014-01-01

An overall multiscale simulation strategy for large scale coarse-grain simulations of membrane protein systems is presented. The protein is modeled as a heterogeneous elastic network, while the lipids are modeled using the hybrid analytic-systematic (HAS) methodology, where in both cases atomistic level information obtained from molecular dynamics simulation is used to parameterize the model. A feature of this approach is that from the outset liposome length scales are employed in the simulation (i.e., on the order of ½ a million lipids plus protein). A route to develop highly coarse-grained models from molecular-scale information is proposed and results for N-BAR domain protein remodeling of a liposome are presented. PMID:20158037

Evaluating the Performance of the Goddard Multi-Scale Modeling Framework against GPM, TRMM and CloudSat/CALIPSO Products

NASA Astrophysics Data System (ADS)

Chern, J. D.; Tao, W. K.; Lang, S. E.; Matsui, T.; Mohr, K. I.

2014-12-01

Four six-month (March-August 2014) experiments with the Goddard Multi-scale Modeling Framework (MMF) were performed to study the impacts of different Goddard one-moment bulk microphysical schemes and large-scale forcings on the performance of the MMF. Recently a new Goddard one-moment bulk microphysics with four-ice classes (cloud ice, snow, graupel, and frozen drops/hail) has been developed based on cloud-resolving model simulations with large-scale forcings from field campaign observations. The new scheme has been successfully implemented to the MMF and two MMF experiments were carried out with this new scheme and the old three-ice classes (cloud ice, snow graupel) scheme. The MMF has global coverage and can rigorously evaluate microphysics performance for different cloud regimes. The results show MMF with the new scheme outperformed the old one. The MMF simulations are also strongly affected by the interaction between large-scale and cloud-scale processes. Two MMF sensitivity experiments with and without nudging large-scale forcings to those of ERA-Interim reanalysis were carried out to study the impacts of large-scale forcings. The model simulated mean and variability of surface precipitation, cloud types, cloud properties such as cloud amount, hydrometeors vertical profiles, and cloud water contents, etc. in different geographic locations and climate regimes are evaluated against GPM, TRMM, CloudSat/CALIPSO satellite observations. The Goddard MMF has also been coupled with the Goddard Satellite Data Simulation Unit (G-SDSU), a system with multi-satellite, multi-sensor, and multi-spectrum satellite simulators. The statistics of MMF simulated radiances and backscattering can be directly compared with satellite observations to assess the strengths and/or deficiencies of MMF simulations and provide guidance on how to improve the MMF and microphysics.

Validation of mathematical model for CZ process using small-scale laboratory crystal growth furnace

NASA Astrophysics Data System (ADS)

Bergfelds, Kristaps; Sabanskis, Andrejs; Virbulis, Janis

2018-05-01

The present material is focused on the modelling of small-scale laboratory NaCl-RbCl crystal growth furnace. First steps towards fully transient simulations are taken in the form of stationary simulations that deal with the optimization of material properties to match the model to experimental conditions. For this purpose, simulation software primarily used for the modelling of industrial-scale silicon crystal growth process was successfully applied. Finally, transient simulations of the crystal growth are presented, giving a sufficient agreement to experimental results.

Hot-bench simulation of the active flexible wing wind-tunnel model

NASA Technical Reports Server (NTRS)

Buttrill, Carey S.; Houck, Jacob A.

1990-01-01

Two simulations, one batch and one real-time, of an aeroelastically-scaled wind-tunnel model were developed. The wind-tunnel model was a full-span, free-to-roll model of an advanced fighter concept. The batch simulation was used to generate and verify the real-time simulation and to test candidate control laws prior to implementation. The real-time simulation supported hot-bench testing of a digital controller, which was developed to actively control the elastic deformation of the wind-tunnel model. Time scaling was required for hot-bench testing. The wind-tunnel model, the mathematical models for the simulations, the techniques employed to reduce the hot-bench time-scale factors, and the verification procedures are described.

A Group Simulation of the Development of the Geologic Time Scale.

ERIC Educational Resources Information Center

Bennington, J. Bret

2000-01-01

Explains how to demonstrate to students that the relative dating of rock layers is redundant. Uses two column diagrams to simulate stratigraphic sequences from two different geological time scales and asks students to complete the time scale. (YDS)

Spiking neural network simulation: memory-optimal synaptic event scheduling.

PubMed

Stewart, Robert D; Gurney, Kevin N

2011-06-01

Spiking neural network simulations incorporating variable transmission delays require synaptic events to be scheduled prior to delivery. Conventional methods have memory requirements that scale with the total number of synapses in a network. We introduce novel scheduling algorithms for both discrete and continuous event delivery, where the memory requirement scales instead with the number of neurons. Superior algorithmic performance is demonstrated using large-scale, benchmarking network simulations.

If You've Got It, Use It (Simulation, That Is...)

NASA Technical Reports Server (NTRS)

Frost, Chad; Tucker, George

2006-01-01

This viewgraph presentation reviews the Rotorcraft Aircrew Systems Concept Airborne Laboratory (RASCAL) UH-60 in-flight simulator, the use of simulation in support of safety monitor design specification development, the development of a failure/recovery (F/R) rating scale, the use of F/R Rating Scale as a common element between simulation and flight evaluation, and the expansion of the flight envelope without benefit of simulation.

Exploring the Ability of a Coarse-grained Potential to Describe the Stress-strain Response of Glassy Polystyrene

DTIC Science & Technology

2012-10-01

using the open-source code Large-scale Atomic/Molecular Massively Parallel Simulator ( LAMMPS ) (http://lammps.sandia.gov) (23). The commercial...parameters are proprietary and cannot be ported to the LAMMPS 4 simulation code. In our molecular dynamics simulations at the atomistic resolution, we...IBI iterative Boltzmann inversion LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator MAPS Materials Processes and Simulations MS

Using a Virtual Experiment to Analyze Infiltration Process from Point to Grid-cell Size Scale

NASA Astrophysics Data System (ADS)

Barrios, M. I.

2013-12-01

The hydrological science requires the emergence of a consistent theoretical corpus driving the relationships between dominant physical processes at different spatial and temporal scales. However, the strong spatial heterogeneities and non-linearities of these processes make difficult the development of multiscale conceptualizations. Therefore, scaling understanding is a key issue to advance this science. This work is focused on the use of virtual experiments to address the scaling of vertical infiltration from a physically based model at point scale to a simplified physically meaningful modeling approach at grid-cell scale. Numerical simulations have the advantage of deal with a wide range of boundary and initial conditions against field experimentation. The aim of the work was to show the utility of numerical simulations to discover relationships between the hydrological parameters at both scales, and to use this synthetic experience as a media to teach the complex nature of this hydrological process. The Green-Ampt model was used to represent vertical infiltration at point scale; and a conceptual storage model was employed to simulate the infiltration process at the grid-cell scale. Lognormal and beta probability distribution functions were assumed to represent the heterogeneity of soil hydraulic parameters at point scale. The linkages between point scale parameters and the grid-cell scale parameters were established by inverse simulations based on the mass balance equation and the averaging of the flow at the point scale. Results have shown numerical stability issues for particular conditions and have revealed the complex nature of the non-linear relationships between models' parameters at both scales and indicate that the parameterization of point scale processes at the coarser scale is governed by the amplification of non-linear effects. The findings of these simulations have been used by the students to identify potential research questions on scale issues. Moreover, the implementation of this virtual lab improved the ability to understand the rationale of these process and how to transfer the mathematical models to computational representations.

78 FR 71785 - Passenger Train Emergency Systems II

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-29

... in debriefing and critique sessions following emergency situations and full-scale simulations. DATES... Session Following Emergency Situations and Full-Scale Simulations V. Section-by-Section Analysis A... and simulations. As part of these amendments, FRA is incorporating by reference three American Public...

On the scaling of small-scale jet noise to large scale

NASA Technical Reports Server (NTRS)

Soderman, Paul T.; Allen, Christopher S.

1992-01-01

An examination was made of several published jet noise studies for the purpose of evaluating scale effects important to the simulation of jet aeroacoustics. Several studies confirmed that small conical jets, one as small as 59 mm diameter, could be used to correctly simulate the overall or perceived noise level (PNL) noise of large jets dominated by mixing noise. However, the detailed acoustic spectra of large jets are more difficult to simulate because of the lack of broad-band turbulence spectra in small jets. One study indicated that a jet Reynolds number of 5 x 10(exp 6) based on exhaust diameter enabled the generation of broad-band noise representative of large jet mixing noise. Jet suppressor aeroacoustics is even more difficult to simulate at small scale because of the small mixer nozzles with flows sensitive to Reynolds number. Likewise, one study showed incorrect ejector mixing and entrainment using a small-scale, short ejector that led to poor acoustic scaling. Conversely, fairly good results were found with a longer ejector and, in a different study, with a 32-chute suppressor nozzle. Finally, it was found that small-scale aeroacoustic resonance produced by jets impacting ground boards does not reproduce at large scale.

On the scaling of small-scale jet noise to large scale

NASA Technical Reports Server (NTRS)

Soderman, Paul T.; Allen, Christopher S.

1992-01-01

An examination was made of several published jet noise studies for the purpose of evaluating scale effects important to the simulation of jet aeroacoustics. Several studies confirmed that small conical jets, one as small as 59 mm diameter, could be used to correctly simulate the overall or PNL noise of large jets dominated by mixing noise. However, the detailed acoustic spectra of large jets are more difficult to simulate because of the lack of broad-band turbulence spectra in small jets. One study indicated that a jet Reynolds number of 5 x 10 exp 6 based on exhaust diameter enabled the generation of broad-band noise representative of large jet mixing noise. Jet suppressor aeroacoustics is even more difficult to simulate at small scale because of the small mixer nozzles with flows sensitive to Reynolds number. Likewise, one study showed incorrect ejector mixing and entrainment using small-scale, short ejector that led to poor acoustic scaling. Conversely, fairly good results were found with a longer ejector and, in a different study, with a 32-chute suppressor nozzle. Finally, it was found that small-scale aeroacoustic resonance produced by jets impacting ground boards does not reproduce at large scale.

Length scale effects of friction in particle compaction using atomistic simulations and a friction scaling model

NASA Astrophysics Data System (ADS)

Stone, T. W.; Horstemeyer, M. F.

2012-09-01

The objective of this study is to illustrate and quantify the length scale effects related to interparticle friction under compaction. Previous studies have shown as the length scale of a specimen decreases, the strength of a single crystal metal or ceramic increases. The question underlying this research effort continues the thought—If there is a length scale parameter related to the strength of a material, is there a length scale parameter related to friction? To explore the length scale effects of friction, molecular dynamics (MD) simulations using an embedded atom method potential were performed to analyze the compression of two spherical FCC nickel nanoparticles at different contact angles. In the MD model study, we applied a macroscopic plastic contact formulation to determine the normal plastic contact force at the particle interfaces and used the average shear stress from the MD simulations to determine the tangential contact forces. Combining this information with the Coulomb friction law, we quantified the MD interparticle coefficient of friction and showed good agreement with experimental studies and a Discrete Element Method prediction as a function of contact angle. Lastly, we compared our MD simulation friction values to the tribological predictions of Bhushan and Nosonovsky (BN), who developed a friction scaling model based on strain gradient plasticity and dislocation-assisted sliding that included a length scale parameter. The comparison revealed that the BN elastic friction scaling model did a much better job than the BN plastic scaling model of predicting the coefficient of friction values obtained from the MD simulations.

The "COLD-PCR approach" for early and cost-effective detection of tyrosine kinase inhibitor resistance mutations in EGFR-positive non-small cell lung cancer.

PubMed

Mairinger, Fabian D; Vollbrecht, Claudia; Streubel, Anna; Roth, Andreas; Landt, Olfert; Walter, Henry F R; Kollmeier, Jens; Mairinger, Thomas

2014-01-01

Activating epidermal growth factor receptor (EGFR) gene mutations can be successfully treated by EGFR tyrosine kinase inhibitors (EGFR-TKIs), but nearly 50% of all patients' exhibit progression of the disease until treatment because of T790M mutations. It is proposed that this is mostly caused by therapy-resistant tumor clones harboring a T790M mutation. Until now no cost-effective routine-diagnostic method for EGFR-resistance mutation status analysis is available leaving long-time response to TKI treatment to chance. Unambiguous identification of T790M EGFR mutations is mandatory to optimize initial treatment strategies. Artificial EGFR T790M mutations and human wild-type gDNA were prepared in several dilution series. Preferential amplification using coamplification at lower denaturation temperature-PCR (COLD-PCR) of the mutant sequence and subsequent HybProbe melting curve detection or pyrosequencing were performed in comparison to normal processing. COLD-PCR-based amplification allowed the detection of 0.125% T790M mutant DNA in a background of wild-type DNA in comparison to 5% while normal processing. These results were reproducible. COLD-PCR is a powerful and cost-effective tool for routine diagnostic to detect underrepresented tumor clones in clinical samples. A diagnostic tool for unambiguous identification of T790M-mutated minor tumor clones is now available enabling optimized therapy.

A FRAMEWORK FOR FINE-SCALE COMPUTATIONAL FLUID DYNAMICS AIR QUALITY MODELING AND ANALYSIS

EPA Science Inventory

Fine-scale Computational Fluid Dynamics (CFD) simulation of pollutant concentrations within roadway and building microenvironments is feasible using high performance computing. Unlike currently used regulatory air quality models, fine-scale CFD simulations are able to account rig...

Gyrokinetic predictions of multiscale transport in a DIII-D ITER baseline discharge

DOE PAGES

Holland, C.; Howard, N. T.; Grierson, B. A.

2017-05-08

New multiscale gyrokinetic simulations predict that electron energy transport in a DIII-D ITER baseline discharge with dominant electron heating and low input torque is multiscale in nature, with roughly equal amounts of the electron energy flux Q e coming from long wavelength ion-scale (k yρ s < 1) and short wavelength electron-scale (k yρ s > 1) fluctuations when the gyrokinetic results match independent power balance calculations. Corresponding conventional ion-scale simulations are able to match the power balance ion energy flux Q i, but systematically underpredict Q e when doing so. We observe significant nonlinear cross-scale couplings in the multiscalemore » simulations, but the exact simulation predictions are found to be extremely sensitive to variations of model input parameters within experimental uncertainties. Most notably, depending upon the exact value of the equilibrium E x B shearing rate γ E x B used, either enhancement or suppression of the long-wavelength turbulence and transport levels in the multiscale simulations is observed relative to what is predicted by ion-scale simulations. And while the enhancement of the long wavelength fluctuations by inclusion of the short wavelength turbulence was previously observed in similar multiscale simulations of an Alcator C-Mod L-mode discharge, these new results show for the first time a complete suppression of long-wavelength turbulence in a multiscale simulation, for parameters at which conventional ion-scale simulation predicts small but finite levels of low-k turbulence and transport consistent with the power balance Q i. Though computational resource limitations prevent a fully rigorous validation assessment of these new results, they provide significant new evidence that electron energy transport in burning plasmas is likely to have a strong multiscale character, with significant nonlinear cross-scale couplings that must be fully understood to predict the performance of those plasmas with confidence.« less

Gyrokinetic predictions of multiscale transport in a DIII-D ITER baseline discharge

NASA Astrophysics Data System (ADS)

Holland, C.; Howard, N. T.; Grierson, B. A.

2017-06-01

New multiscale gyrokinetic simulations predict that electron energy transport in a DIII-D ITER baseline discharge with dominant electron heating and low input torque is multiscale in nature, with roughly equal amounts of the electron energy flux Q e coming from long wavelength ion-scale (k y ρ s  <  1) and short wavelength electron-scale (k y ρ s  >  1) fluctuations when the gyrokinetic results match independent power balance calculations. Corresponding conventional ion-scale simulations are able to match the power balance ion energy flux Q i, but systematically underpredict Q e when doing so. Significant nonlinear cross-scale couplings are observed in the multiscale simulations, but the exact simulation predictions are found to be extremely sensitive to variations of model input parameters within experimental uncertainties. Most notably, depending upon the exact value of the equilibrium E  ×  B shearing rate γ E×B used, either enhancement or suppression of the long-wavelength turbulence and transport levels in the multiscale simulations is observed relative to what is predicted by ion-scale simulations. While the enhancement of the long wavelength fluctuations by inclusion of the short wavelength turbulence was previously observed in similar multiscale simulations of an Alcator C-Mod L-mode discharge, these new results show for the first time a complete suppression of long-wavelength turbulence in a multiscale simulation, for parameters at which conventional ion-scale simulation predicts small but finite levels of low-k turbulence and transport consistent with the power balance Q i. Although computational resource limitations prevent a fully rigorous validation assessment of these new results, they provide significant new evidence that electron energy transport in burning plasmas is likely to have a strong multiscale character, with significant nonlinear cross-scale couplings that must be fully understood to predict the performance of those plasmas with confidence.

Towards European-scale convection-resolving climate simulations with GPUs: a study with COSMO 4.19

NASA Astrophysics Data System (ADS)

Leutwyler, David; Fuhrer, Oliver; Lapillonne, Xavier; Lüthi, Daniel; Schär, Christoph

2016-09-01

The representation of moist convection in climate models represents a major challenge, due to the small scales involved. Using horizontal grid spacings of O(1km), convection-resolving weather and climate models allows one to explicitly resolve deep convection. However, due to their extremely demanding computational requirements, they have so far been limited to short simulations and/or small computational domains. Innovations in supercomputing have led to new hybrid node designs, mixing conventional multi-core hardware and accelerators such as graphics processing units (GPUs). One of the first atmospheric models that has been fully ported to these architectures is the COSMO (Consortium for Small-scale Modeling) model.Here we present the convection-resolving COSMO model on continental scales using a version of the model capable of using GPU accelerators. The verification of a week-long simulation containing winter storm Kyrill shows that, for this case, convection-parameterizing simulations and convection-resolving simulations agree well. Furthermore, we demonstrate the applicability of the approach to longer simulations by conducting a 3-month-long simulation of the summer season 2006. Its results corroborate the findings found on smaller domains such as more credible representation of the diurnal cycle of precipitation in convection-resolving models and a tendency to produce more intensive hourly precipitation events. Both simulations also show how the approach allows for the representation of interactions between synoptic-scale and meso-scale atmospheric circulations at scales ranging from 1000 to 10 km. This includes the formation of sharp cold frontal structures, convection embedded in fronts and small eddies, or the formation and organization of propagating cold pools. Finally, we assess the performance gain from using heterogeneous hardware equipped with GPUs relative to multi-core hardware. With the COSMO model, we now use a weather and climate model that has all the necessary modules required for real-case convection-resolving regional climate simulations on GPUs.

On the Fidelity of Semi-distributed Hydrologic Model Simulations for Large Scale Catchment Applications

NASA Astrophysics Data System (ADS)

Ajami, H.; Sharma, A.; Lakshmi, V.

2017-12-01

Application of semi-distributed hydrologic modeling frameworks is a viable alternative to fully distributed hyper-resolution hydrologic models due to computational efficiency and resolving fine-scale spatial structure of hydrologic fluxes and states. However, fidelity of semi-distributed model simulations is impacted by (1) formulation of hydrologic response units (HRUs), and (2) aggregation of catchment properties for formulating simulation elements. Here, we evaluate the performance of a recently developed Soil Moisture and Runoff simulation Toolkit (SMART) for large catchment scale simulations. In SMART, topologically connected HRUs are delineated using thresholds obtained from topographic and geomorphic analysis of a catchment, and simulation elements are equivalent cross sections (ECS) representative of a hillslope in first order sub-basins. Earlier investigations have shown that formulation of ECSs at the scale of a first order sub-basin reduces computational time significantly without compromising simulation accuracy. However, the implementation of this approach has not been fully explored for catchment scale simulations. To assess SMART performance, we set-up the model over the Little Washita watershed in Oklahoma. Model evaluations using in-situ soil moisture observations show satisfactory model performance. In addition, we evaluated the performance of a number of soil moisture disaggregation schemes recently developed to provide spatially explicit soil moisture outputs at fine scale resolution. Our results illustrate that the statistical disaggregation scheme performs significantly better than the methods based on topographic data. Future work is focused on assessing the performance of SMART using remotely sensed soil moisture observations using spatially based model evaluation metrics.

The WEPP Model Application in a Small Watershed in the Loess Plateau

PubMed Central

Han, Fengpeng; Ren, Lulu; Zhang, Xingchang; Li, Zhanbin

2016-01-01

In the Loess Plateau, soil erosion has not only caused serious ecological and environmental problems but has also impacted downstream areas. Therefore, a model is needed to guide the comprehensive control of soil erosion. In this study, we introduced the WEPP model to simulate soil erosion both at the slope and watershed scales. Our analyses showed that: the simulated values at the slope scale were very close to the measured. However, both the runoff and soil erosion simulated values at the watershed scale were higher than the measured. At the slope scale, under different coverage, the simulated erosion was slightly higher than the measured. When the coverage is 40%, the simulated results of both runoff and erosion are the best. At the watershed scale, the actual annual runoff of the Liudaogou watershed is 83m3; sediment content is 0.097 t/m3, annual erosion sediment 8.057t and erosion intensity 0.288 t ha-1 yr-1. Both the simulated values of soil erosion and runoff are higher than the measured, especially the runoff. But the simulated erosion trend is relatively accurate after the farmland is returned to grassland. We concluded that the WEPP model can be used to establish a reasonable vegetation restoration model and guide the vegetation restoration of the Loess Plateau. PMID:26963704

DSC: software tool for simulation-based design of control strategies applied to wastewater treatment plants.

PubMed

Ruano, M V; Ribes, J; Seco, A; Ferrer, J

2011-01-01

This paper presents a computer tool called DSC (Simulation based Controllers Design) that enables an easy design of control systems and strategies applied to wastewater treatment plants. Although the control systems are developed and evaluated by simulation, this tool aims to facilitate the direct implementation of the designed control system to the PC of the full-scale WWTP (wastewater treatment plants). The designed control system can be programmed in a dedicated control application and can be connected to either the simulation software or the SCADA of the plant. To this end, the developed DSC incorporates an OPC server (OLE for process control) which facilitates an open-standard communication protocol for different industrial process applications. The potential capabilities of the DSC tool are illustrated through the example of a full-scale application. An aeration control system applied to a nutrient removing WWTP was designed, tuned and evaluated with the DSC tool before its implementation in the full scale plant. The control parameters obtained by simulation were suitable for the full scale plant with only few modifications to improve the control performance. With the DSC tool, the control systems performance can be easily evaluated by simulation. Once developed and tuned by simulation, the control systems can be directly applied to the full-scale WWTP.

Evaluation of WRF Model Against Satellite and Field Measurements During ARM March 2000 IOP

NASA Astrophysics Data System (ADS)

Wu, J.; Zhang, M.

2003-12-01

Meso-scale WRF model is employed to simulate the organization of clouds related with the cyclogenesis occurred during March 1-4, 2000 over ARM SGP CART site. Qualitative comparisons of simulated clouds with GOES8 satellite images show that the WRF model can capture the main features of clouds related with the cyclogenesis. The simulated precipitation patterns also match the Radar reflectivity images well. Further evaluation of the simulated features on GCM grid-scale is conducted against ARM field measurements. The evaluation shows that the evolutions of the simulated state fields such as temperature and moisture, the simulated wind fields and the derived large-scale temperature and moisture tendencies closely follow the observed patterns. These results encourages us to use meso-scale WRF model as a tool to verify the performance of GCMs in simulating cloud feedback processes related with the frontal clouds such that we can test and validate the current cloud parameterizations in climate models, and make possible improvements to different components of current cloud parameterizations in GCMs.

Impact of spectral nudging on the downscaling of tropical cyclones in regional climate simulations

NASA Astrophysics Data System (ADS)

Choi, Suk-Jin; Lee, Dong-Kyou

2016-06-01

This study investigated the simulations of three months of seasonal tropical cyclone (TC) activity over the western North Pacific using the Advanced Research WRF Model. In the control experiment (CTL), the TC frequency was considerably overestimated. Additionally, the tracks of some TCs tended to have larger radii of curvature and were shifted eastward. The large-scale environments of westerly monsoon flows and subtropical Pacific highs were unreasonably simulated. The overestimated frequency of TC formation was attributed to a strengthened westerly wind field in the southern quadrants of the TC center. In comparison with the experiment with the spectral nudging method, the strengthened wind speed was mainly modulated by large-scale flow that was greater than approximately 1000 km in the model domain. The spurious formation and undesirable tracks of TCs in the CTL were considerably improved by reproducing realistic large-scale atmospheric monsoon circulation with substantial adjustment between large-scale flow in the model domain and large-scale boundary forcing modified by the spectral nudging method. The realistic monsoon circulation took a vital role in simulating realistic TCs. It revealed that, in the downscaling from large-scale fields for regional climate simulations, scale interaction between model-generated regional features and forced large-scale fields should be considered, and spectral nudging is a desirable method in the downscaling method.

Preliminary Evaluation of Altitude Scaling for Turbofan Engine Ice Crystal Icing

NASA Technical Reports Server (NTRS)

Tsao, Jen-Ching

2017-01-01

Preliminary evaluation of altitude scaling for turbofan engine ice crystal icing simulation was conducted during the 2015 LF11 engine icing test campaign in PSL.The results showed that a simplified approach for altitude scaling to simulate the key reference engine ice growth feature and associated icing effects to the engine is possible. But special considerations are needed to address the facility operation limitation for lower altitude engine icing simulation.

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

NASA Astrophysics Data System (ADS)

Dongare, Avinash M.

2014-12-01

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.

Improvement of CFD Methods for Modeling Full Scale Circulating Fluidized Bed Combustion Systems

NASA Astrophysics Data System (ADS)

Shah, Srujal; Klajny, Marcin; Myöhänen, Kari; Hyppänen, Timo

With the currently available methods of computational fluid dynamics (CFD), the task of simulating full scale circulating fluidized bed combustors is very challenging. In order to simulate the complex fluidization process, the size of calculation cells should be small and the calculation should be transient with small time step size. For full scale systems, these requirements lead to very large meshes and very long calculation times, so that the simulation in practice is difficult. This study investigates the requirements of cell size and the time step size for accurate simulations, and the filtering effects caused by coarser mesh and longer time step. A modeling study of a full scale CFB furnace is presented and the model results are compared with experimental data.

Simulating the impact of the large-scale circulation on the 2-m temperature and precipitation climatology

NASA Astrophysics Data System (ADS)

Bowden, Jared H.; Nolte, Christopher G.; Otte, Tanya L.

2013-04-01

The impact of the simulated large-scale atmospheric circulation on the regional climate is examined using the Weather Research and Forecasting (WRF) model as a regional climate model. The purpose is to understand the potential need for interior grid nudging for dynamical downscaling of global climate model (GCM) output for air quality applications under a changing climate. In this study we downscale the NCEP-Department of Energy Atmospheric Model Intercomparison Project (AMIP-II) Reanalysis using three continuous 20-year WRF simulations: one simulation without interior grid nudging and two using different interior grid nudging methods. The biases in 2-m temperature and precipitation for the simulation without interior grid nudging are unreasonably large with respect to the North American Regional Reanalysis (NARR) over the eastern half of the contiguous United States (CONUS) during the summer when air quality concerns are most relevant. This study examines how these differences arise from errors in predicting the large-scale atmospheric circulation. It is demonstrated that the Bermuda high, which strongly influences the regional climate for much of the eastern half of the CONUS during the summer, is poorly simulated without interior grid nudging. In particular, two summers when the Bermuda high was west (1993) and east (2003) of its climatological position are chosen to illustrate problems in the large-scale atmospheric circulation anomalies. For both summers, WRF without interior grid nudging fails to simulate the placement of the upper-level anticyclonic (1993) and cyclonic (2003) circulation anomalies. The displacement of the large-scale circulation impacts the lower atmosphere moisture transport and precipitable water, affecting the convective environment and precipitation. Using interior grid nudging improves the large-scale circulation aloft and moisture transport/precipitable water anomalies, thereby improving the simulated 2-m temperature and precipitation. The results demonstrate that constraining the RCM to the large-scale features in the driving fields improves the overall accuracy of the simulated regional climate, and suggest that in the absence of such a constraint, the RCM will likely misrepresent important large-scale shifts in the atmospheric circulation under a future climate.

Gyrokinetic simulations of DIII-D near-edge L-mode plasmas

NASA Astrophysics Data System (ADS)

Neiser, Tom; Jenko, Frank; Carter, Troy; Schmitz, Lothar; Merlo, Gabriele; Told, Daniel; Banon Navarro, Alejandro; McKee, George; Yan, Zheng

2017-10-01

In order to understand the L-H transition, a good understanding of the L-mode edge region is necessary. We perform nonlinear gyrokinetic simulations of a DIII-D L-mode discharge with the GENE code in the near-edge, which we define as ρtor >= 0.8 . At ρ = 0.9 , ion-scale simulations reproduce experimental heat fluxes within the uncertainty of the experiment. At ρ = 0 . 8 , electron-scale simulations reproduce the experimental electron heat flux while ion-scale simulations do not reproduce the respective ion heat flux due to a strong poloidal zonal flow. However, we reproduce both electron and ion heat fluxes by increasing the local ion temperature gradient by 80 % . Local fitting to the CER data in the domain 0.7 <= ρ <= 0.9 is compatible with such an increase in ion temperature gradient within the error bars. Ongoing multi-scale simulations are investigating whether radial electron streamers could dampen the poloidal zonal flows at ρ = 0.8 and increase the radial ion-scale flux. Supported by U.S. DOE under Contract Numbers DE-FG02-08ER54984, DE-FC02-04ER54698, and DE-AC02-05CH11231.

The island coalescence problem: Scaling of reconnection in extended fluid models including higher-order moments

DOE PAGES

Ng, Jonathan; Huang, Yi -Min; Hakim, Ammar; ...

2015-11-05

As modeling of collisionless magnetic reconnection in most space plasmas with realistic parameters is beyond the capability of today's simulations, due to the separation between global and kinetic length scales, it is important to establish scaling relations in model problems so as to extrapolate to realistic scales. Furthermore, large scale particle-in-cell simulations of island coalescence have shown that the time averaged reconnection rate decreases with system size, while fluid systems at such large scales in the Hall regime have not been studied. Here, we perform the complementary resistive magnetohydrodynamic (MHD), Hall MHD, and two fluid simulations using a ten-moment modelmore » with the same geometry. In contrast to the standard Harris sheet reconnection problem, Hall MHD is insufficient to capture the physics of the reconnection region. Additionally, motivated by the results of a recent set of hybrid simulations which show the importance of ion kinetics in this geometry, we evaluate the efficacy of the ten-moment model in reproducing such results.« less

On the Scaling Laws for Jet Noise in Subsonic and Supersonic Flow

NASA Technical Reports Server (NTRS)

Vu, Bruce; Kandula, Max

2003-01-01

The scaling laws for the simulation of noise from subsonic and ideally expanded supersonic jets are examined with regard to their applicability to deduce full scale conditions from small-scale model testing. Important parameters of scale model testing for the simulation of jet noise are identified, and the methods of estimating full-scale noise levels from simulated scale model data are addressed. The limitations of cold-jet data in estimating high-temperature supersonic jet noise levels are discussed. It is shown that the jet Mach number (jet exit velocity/sound speed at jet exit) is a more general and convenient parameter for noise scaling purposes than the ratio of jet exit velocity to ambient speed of sound. A similarity spectrum is also proposed, which accounts for jet Mach number, angle to the jet axis, and jet density ratio. The proposed spectrum reduces nearly to the well-known similarity spectra proposed by Tam for the large-scale and the fine-scale turbulence noise in the appropriate limit.

Scale-Dependent Rates of Uranyl Surface Complexation Reaction in Sediments

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

Liu, Chongxuan; Shang, Jianying; Kerisit, Sebastien N.

Scale-dependency of uranyl[U(VI)] surface complexation rates was investigated in stirred flow-cell and column systems using a U(VI)-contaminated sediment from the US Department of Energy, Hanford site, WA. The experimental results were used to estimate the apparent rate of U(VI) surface complexation at the grain-scale and in porous media. Numerical simulations using molecular, pore-scale, and continuum models were performed to provide insights into and to estimate the rate constants of U(VI) surface complexation at the different scales. The results showed that the grain-scale rate constant of U(VI) surface complexation was over 3 to 10 orders of magnitude smaller, dependent on themore » temporal scale, than the rate constant calculated using the molecular simulations. The grain-scale rate was faster initially and slower with time, showing the temporal scale-dependency. The largest rate constant at the grain-scale decreased additional 2 orders of magnitude when the rate was scaled to the porous media in the column. The scaling effect from the grain-scale to the porous media became less important for the slower sorption sites. Pore-scale simulations revealed the importance of coupled mass transport and reactions in both intragranular and inter-granular domains, which caused both spatial and temporal dependence of U(VI) surface complexation rates in the sediment. Pore-scale simulations also revealed a new rate-limiting mechanism in the intragranular porous domains that the rate of coupled diffusion and surface complexation reaction was slower than either process alone. The results provided important implications for developing models to scale geochemical/biogeochemical reactions.« less

Probabilistic simulation of multi-scale composite behavior

NASA Technical Reports Server (NTRS)

Liaw, D. G.; Shiao, M. C.; Singhal, S. N.; Chamis, Christos C.

1993-01-01

A methodology is developed to computationally assess the probabilistic composite material properties at all composite scale levels due to the uncertainties in the constituent (fiber and matrix) properties and in the fabrication process variables. The methodology is computationally efficient for simulating the probability distributions of material properties. The sensitivity of the probabilistic composite material property to each random variable is determined. This information can be used to reduce undesirable uncertainties in material properties at the macro scale of the composite by reducing the uncertainties in the most influential random variables at the micro scale. This methodology was implemented into the computer code PICAN (Probabilistic Integrated Composite ANalyzer). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in the material properties of a typical laminate and comparing the results with the Monte Carlo simulation method. The experimental data of composite material properties at all scales fall within the scatters predicted by PICAN.

Evaluation and projected changes of precipitation statistics in convection-permitting WRF climate simulations over Central Europe

NASA Astrophysics Data System (ADS)

Knist, Sebastian; Goergen, Klaus; Simmer, Clemens

2018-02-01

We perform simulations with the WRF regional climate model at 12 and 3 km grid resolution for the current and future climates over Central Europe and evaluate their added value with a focus on the daily cycle and frequency distribution of rainfall and the relation between extreme precipitation and air temperature. First, a 9 year period of ERA-Interim driven simulations is evaluated against observations; then global climate model runs (MPI-ESM-LR RCP4.5 scenario) are downscaled and analyzed for three 12-year periods: a control, a mid-of-century and an end-of-century projection. The higher resolution simulations reproduce both the diurnal cycle and the hourly intensity distribution of precipitation more realistically compared to the 12 km simulation. Moreover, the observed increase of the temperature-extreme precipitation scaling from the Clausius-Clapeyron (C-C) scaling rate of 7% K-1 to a super-adiabatic scaling rate for temperatures above 11 °C is reproduced only by the 3 km simulation. The drop of the scaling rates at high temperatures under moisture limited conditions differs between sub-regions. For both future scenario time spans both simulations suggest a slight decrease in mean summer precipitation and an increase in hourly heavy and extreme precipitation. This increase is stronger in the 3 km runs. Temperature-extreme precipitation scaling curves in the future climate are projected to shift along the 7% K-1 trajectory to higher peak extreme precipitation values at higher temperatures. The curves keep their typical shape of C-C scaling followed by super-adiabatic scaling and a drop-off at higher temperatures due to moisture limitation.

Multiscale simulations of patchy particle systems combining Molecular Dynamics, Path Sampling and Green's Function Reaction Dynamics

NASA Astrophysics Data System (ADS)

Bolhuis, Peter

Important reaction-diffusion processes, such as biochemical networks in living cells, or self-assembling soft matter, span many orders in length and time scales. In these systems, the reactants' spatial dynamics at mesoscopic length and time scales of microns and seconds is coupled to the reactions between the molecules at microscopic length and time scales of nanometers and milliseconds. This wide range of length and time scales makes these systems notoriously difficult to simulate. While mean-field rate equations cannot describe such processes, the mesoscopic Green's Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. The recently developed multiscale Molecular Dynamics Green's Function Reaction Dynamics (MD-GFRD) approach combines GFRD for simulating the system at the mesocopic scale where particles are far apart, with microscopic Molecular (or Brownian) Dynamics, for simulating the system at the microscopic scale where reactants are in close proximity. The association and dissociation of particles are treated with rare event path sampling techniques. I will illustrate the efficiency of this method for patchy particle systems. Replacing the microscopic regime with a Markov State Model avoids the microscopic regime completely. The MSM is then pre-computed using advanced path-sampling techniques such as multistate transition interface sampling. I illustrate this approach on patchy particle systems that show multiple modes of binding. MD-GFRD is generic, and can be used to efficiently simulate reaction-diffusion systems at the particle level, including the orientational dynamics, opening up the possibility for large-scale simulations of e.g. protein signaling networks.

A quantitative approach to evaluating caring in nursing simulation.

PubMed

Eggenberger, Terry L; Keller, Kathryn B; Chase, Susan K; Payne, Linda

2012-01-01

This study was designed to test a quantitative method of measuring caring in the simulated environment. Since competency in caring is central to nursing practice, ways of including caring concepts in designing scenarios and in evaluation of performance need to be developed. Coates' Caring Efficacy scales were adapted for simulation and named the Caring Efficacy Scale-Simulation Student Version (CES-SSV) and Caring Efficacy Scale-Simulation Faculty Version (CES-SFV). A correlational study was designed to compare student self-ratings with faculty ratings on caring efficacy during an adult acute simulation experience with traditional and accelerated baccalaureate students in a nursing program grounded in caring theory. Student self-ratings were significantly correlated with objective ratings (r = 0.345, 0.356). Both the CES-SSV and the CES-SFV were found to have excellent internal consistency and significantly correlated interrater reliability. They were useful in measuring caring in the simulated learning environment.

SMR Re-Scaling and Modeling for Load Following Studies

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

Hoover, K.; Wu, Q.; Bragg-Sitton, S.

2016-11-01

This study investigates the creation of a new set of scaling parameters for the Oregon State University Multi-Application Small Light Water Reactor (MASLWR) scaled thermal hydraulic test facility. As part of a study being undertaken by Idaho National Lab involving nuclear reactor load following characteristics, full power operations need to be simulated, and therefore properly scaled. Presented here is the scaling analysis and plans for RELAP5-3D simulation.

Synergistic cross-scale coupling of turbulence in a tokamak plasma

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

Howard, N. T., E-mail: nthoward@psfc.mit.edu; Holland, C.; White, A. E.

2014-11-15

For the first time, nonlinear gyrokinetic simulations spanning both the ion and electron spatio-temporal scales have been performed with realistic electron mass ratio ((m{sub D}∕m{sub e}){sup 1∕2 }= 60.0), realistic geometry, and all experimental inputs, demonstrating the coexistence and synergy of ion (k{sub θ}ρ{sub s}∼O(1.0)) and electron-scale (k{sub θ}ρ{sub e}∼O(1.0)) turbulence in the core of a tokamak plasma. All multi-scale simulations utilized the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] to study the coupling of ion and electron-scale turbulence in the core (r/a = 0.6) of an Alcator C-Mod L-mode discharge shown previously to exhibit an under-predictionmore » of the electron heat flux when using simulations only including ion-scale turbulence. Electron-scale turbulence is found to play a dominant role in setting the electron heat flux level and radially elongated (k{sub r} ≪ k{sub θ}) “streamers” are found to coexist with ion-scale eddies in experimental plasma conditions. Inclusion of electron-scale turbulence in these simulations is found to increase both ion and electron heat flux levels by enhancing the transport at the ion-scale while also driving electron heat flux at sub-ρ{sub i} scales. The combined increases in the low and high-k driven electron heat flux may explain previously observed discrepancies between simulated and experimental electron heat fluxes and indicates a complex interaction of short and long wavelength turbulence.« less

Coupled numerical approach combining finite volume and lattice Boltzmann methods for multi-scale multi-physicochemical processes

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

Chen, Li; He, Ya-Ling; Kang, Qinjun

2013-12-15

A coupled (hybrid) simulation strategy spatially combining the finite volume method (FVM) and the lattice Boltzmann method (LBM), called CFVLBM, is developed to simulate coupled multi-scale multi-physicochemical processes. In the CFVLBM, computational domain of multi-scale problems is divided into two sub-domains, i.e., an open, free fluid region and a region filled with porous materials. The FVM and LBM are used for these two regions, respectively, with information exchanged at the interface between the two sub-domains. A general reconstruction operator (RO) is proposed to derive the distribution functions in the LBM from the corresponding macro scalar, the governing equation of whichmore » obeys the convection–diffusion equation. The CFVLBM and the RO are validated in several typical physicochemical problems and then are applied to simulate complex multi-scale coupled fluid flow, heat transfer, mass transport, and chemical reaction in a wall-coated micro reactor. The maximum ratio of the grid size between the FVM and LBM regions is explored and discussed. -- Highlights: •A coupled simulation strategy for simulating multi-scale phenomena is developed. •Finite volume method and lattice Boltzmann method are coupled. •A reconstruction operator is derived to transfer information at the sub-domains interface. •Coupled multi-scale multiple physicochemical processes in micro reactor are simulated. •Techniques to save computational resources and improve the efficiency are discussed.« less

Implementation of Shifted Periodic Boundary Conditions in the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Software

DTIC Science & Technology

2015-08-01

Atomic/Molecular Massively Parallel Simulator ( LAMMPS ) Software by N Scott Weingarten and James P Larentzos Approved for...Massively Parallel Simulator ( LAMMPS ) Software by N Scott Weingarten Weapons and Materials Research Directorate, ARL James P Larentzos Engility...Shifted Periodic Boundary Conditions in the Large-Scale Atomic/Molecular Massively Parallel Simulator ( LAMMPS ) Software 5a. CONTRACT NUMBER 5b

Gyrokinetic Simulations of Transport Scaling and Structure

NASA Astrophysics Data System (ADS)

Hahm, Taik Soo

2001-10-01

There is accumulating evidence from global gyrokinetic particle simulations with profile variations and experimental fluctuation measurements that microturbulence, with its time-averaged eddy size which scales with the ion gyroradius, can cause ion thermal transport which deviates from the gyro-Bohm scaling. The physics here can be best addressed by large scale (rho* = rho_i/a = 0.001) full torus gyrokinetic particle-in-cell turbulence simulations using our massively parallel, general geometry gyrokinetic toroidal code with field-aligned mesh. Simulation results from device-size scans for realistic parameters show that ``wave transport'' mechanism is not the dominant contribution for this Bohm-like transport and that transport is mostly diffusive driven by microscopic scale fluctuations in the presence of self-generated zonal flows. In this work, we analyze the turbulence and zonal flow statistics from simulations and compare to nonlinear theoretical predictions including the radial decorrelation of the transport events by zonal flows and the resulting probability distribution function (PDF). In particular, possible deviation of the characteristic radial size of transport processes from the time-averaged radial size of the density fluctuation eddys will be critically examined.

On the Subgrid-Scale Modeling of Compressible Turbulence

NASA Technical Reports Server (NTRS)

Squires, Kyle; Zeman, Otto

1990-01-01

A new sub-grid scale model is presented for the large-eddy simulation of compressible turbulence. In the proposed model, compressibility contributions have been incorporated in the sub-grid scale eddy viscosity which, in the incompressible limit, reduce to a form originally proposed by Smagorinsky (1963). The model has been tested against a simple extension of the traditional Smagorinsky eddy viscosity model using simulations of decaying, compressible homogeneous turbulence. Simulation results show that the proposed model provides greater dissipation of the compressive modes of the resolved-scale velocity field than does the Smagorinsky eddy viscosity model. For an initial r.m.s. turbulence Mach number of 1.0, simulations performed using the Smagorinsky model become physically unrealizable (i.e., negative energies) because of the inability of the model to sufficiently dissipate fluctuations due to resolved scale velocity dilations. The proposed model is able to provide the necessary dissipation of this energy and maintain the realizability of the flow. Following Zeman (1990), turbulent shocklets are considered to dissipate energy independent of the Kolmogorov energy cascade. A possible parameterization of dissipation by turbulent shocklets for Large-Eddy Simulation is also presented.

Parallel Simulation of Unsteady Turbulent Flames

NASA Technical Reports Server (NTRS)

Menon, Suresh

1996-01-01

Time-accurate simulation of turbulent flames in high Reynolds number flows is a challenging task since both fluid dynamics and combustion must be modeled accurately. To numerically simulate this phenomenon, very large computer resources (both time and memory) are required. Although current vector supercomputers are capable of providing adequate resources for simulations of this nature, the high cost and their limited availability, makes practical use of such machines less than satisfactory. At the same time, the explicit time integration algorithms used in unsteady flow simulations often possess a very high degree of parallelism, making them very amenable to efficient implementation on large-scale parallel computers. Under these circumstances, distributed memory parallel computers offer an excellent near-term solution for greatly increased computational speed and memory, at a cost that may render the unsteady simulations of the type discussed above more feasible and affordable.This paper discusses the study of unsteady turbulent flames using a simulation algorithm that is capable of retaining high parallel efficiency on distributed memory parallel architectures. Numerical studies are carried out using large-eddy simulation (LES). In LES, the scales larger than the grid are computed using a time- and space-accurate scheme, while the unresolved small scales are modeled using eddy viscosity based subgrid models. This is acceptable for the moment/energy closure since the small scales primarily provide a dissipative mechanism for the energy transferred from the large scales. However, for combustion to occur, the species must first undergo mixing at the small scales and then come into molecular contact. Therefore, global models cannot be used. Recently, a new model for turbulent combustion was developed, in which the combustion is modeled, within the subgrid (small-scales) using a methodology that simulates the mixing and the molecular transport and the chemical kinetics within each LES grid cell. Finite-rate kinetics can be included without any closure and this approach actually provides a means to predict the turbulent rates and the turbulent flame speed. The subgrid combustion model requires resolution of the local time scales associated with small-scale mixing, molecular diffusion and chemical kinetics and, therefore, within each grid cell, a significant amount of computations must be carried out before the large-scale (LES resolved) effects are incorporated. Therefore, this approach is uniquely suited for parallel processing and has been implemented on various systems such as: Intel Paragon, IBM SP-2, Cray T3D and SGI Power Challenge (PC) using the system independent Message Passing Interface (MPI) compiler. In this paper, timing data on these machines is reported along with some characteristic results.

AQMEII3 evaluation of regional NA/EU simulations and analysis of scale, boundary conditions and emissions error-dependence

EPA Science Inventory

Through the comparison of several regional-scale chemistry transport modelling systems that simulate meteorology and air quality over the European and American continents, this study aims at i) apportioning the error to the responsible processes using time-scale analysis, ii) hel...

SOLAR WIND TURBULENCE FROM MHD TO SUB-ION SCALES: HIGH-RESOLUTION HYBRID SIMULATIONS

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

Franci, Luca; Verdini, Andrea; Landi, Simone

2015-05-10

We present results from a high-resolution and large-scale hybrid (fluid electrons and particle-in-cell protons) two-dimensional numerical simulation of decaying turbulence. Two distinct spectral regions (separated by a smooth break at proton scales) develop with clear power-law scaling, each one occupying about a decade in wavenumbers. The simulation results simultaneously exhibit several properties of the observed solar wind fluctuations: spectral indices of the magnetic, kinetic, and residual energy spectra in the magnetohydrodynamic (MHD) inertial range along with a flattening of the electric field spectrum, an increase in magnetic compressibility, and a strong coupling of the cascade with the density and themore » parallel component of the magnetic fluctuations at sub-proton scales. Our findings support the interpretation that in the solar wind, large-scale MHD fluctuations naturally evolve beyond proton scales into a turbulent regime that is governed by the generalized Ohm’s law.« less

Solar Wind Turbulence from MHD to Sub-ion Scales: High-resolution Hybrid Simulations

NASA Astrophysics Data System (ADS)

Franci, Luca; Verdini, Andrea; Matteini, Lorenzo; Landi, Simone; Hellinger, Petr

2015-05-01

We present results from a high-resolution and large-scale hybrid (fluid electrons and particle-in-cell protons) two-dimensional numerical simulation of decaying turbulence. Two distinct spectral regions (separated by a smooth break at proton scales) develop with clear power-law scaling, each one occupying about a decade in wavenumbers. The simulation results simultaneously exhibit several properties of the observed solar wind fluctuations: spectral indices of the magnetic, kinetic, and residual energy spectra in the magnetohydrodynamic (MHD) inertial range along with a flattening of the electric field spectrum, an increase in magnetic compressibility, and a strong coupling of the cascade with the density and the parallel component of the magnetic fluctuations at sub-proton scales. Our findings support the interpretation that in the solar wind, large-scale MHD fluctuations naturally evolve beyond proton scales into a turbulent regime that is governed by the generalized Ohm’s law.

Scale disparity and spectral transfer in anisotropic numerical turbulence

NASA Technical Reports Server (NTRS)

Zhou, YE; Yeung, P. K.; Brasseur, James G.

1994-01-01

To study the effect of cancellations within long-range interactions on local isotropy at the small scales, we calculate explicitly the degree of cancellation in distant interactions in the simulations of Yeung & Brasseur and Yeung, Brasseur & Wang using the single scale disparity parameter 's' developed by Zhou. In the simulations, initially isotropic simulated turbulence was subjected to coherent anisotropic forcing at the large scales and the smallest scales were found to become anisotropic as a consequence of direct large-small scale couplings. We find that the marginally distant interactions in the simulation do not cancel out under summation and that the development of small-scale anisotropy is indeed a direct consequence of the distant triadic group, as argued by Yeung, et. al. A reduction of anisotropy at later times occurs as a result of the isotropizing influences of more local energy-cascading triadic interactions. Nevertheless, the local-to-nonlocal triadic group persists as an isotropizing influence at later times. We find that, whereas long-range interactions, in general, contribute little to net energy transfer into or out of a high wavenumber shell k, the anisotropic transfer of component energy within the shell increases with increasing scale separations. These results are consistent with results by Zhou, and Brasseur & Wei, and suggest that the anisotropizing influences of long range interactions should persist to higher Reynolds numbers. The residual effect of the forced distant group in this low-Reynolds number simulation is found to be forward cascading, on average.

Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC).

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

Schultz, Peter Andrew

The objective of the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC) is to provide an integrated suite of computational modeling and simulation (M&S) capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive-waste storage facility or disposal repository. Achieving the objective of modeling the performance of a disposal scenario requires describing processes involved in waste form degradation and radionuclide release at the subcontinuum scale, beginning with mechanistic descriptions of chemical reactions and chemical kinetics at the atomicmore » scale, and upscaling into effective, validated constitutive models for input to high-fidelity continuum scale codes for coupled multiphysics simulations of release and transport. Verification and validation (V&V) is required throughout the system to establish evidence-based metrics for the level of confidence in M&S codes and capabilities, including at the subcontiunuum scale and the constitutive models they inform or generate. This Report outlines the nature of the V&V challenge at the subcontinuum scale, an approach to incorporate V&V concepts into subcontinuum scale modeling and simulation (M&S), and a plan to incrementally incorporate effective V&V into subcontinuum scale M&S destined for use in the NEAMS Waste IPSC work flow to meet requirements of quantitative confidence in the constitutive models informed by subcontinuum scale phenomena.« less

Connecting the large- and the small-scale magnetic fields of solar-like stars

NASA Astrophysics Data System (ADS)

Lehmann, L. T.; Jardine, M. M.; Mackay, D. H.; Vidotto, A. A.

2018-05-01

A key question in understanding the observed magnetic field topologies of cool stars is the link between the small- and the large-scale magnetic field and the influence of the stellar parameters on the magnetic field topology. We examine various simulated stars to connect the small-scale with the observable large-scale field. The highly resolved 3D simulations we used couple a flux transport model with a non-potential coronal model using a magnetofrictional technique. The surface magnetic field of these simulations is decomposed into spherical harmonics which enables us to analyse the magnetic field topologies on a wide range of length scales and to filter the large-scale magnetic field for a direct comparison with the observations. We show that the large-scale field of the self-consistent simulations fits the observed solar-like stars and is mainly set up by the global dipolar field and the large-scale properties of the flux pattern, e.g. the averaged latitudinal position of the emerging small-scale field and its global polarity pattern. The stellar parameters flux emergence rate, differential rotation and meridional flow affect the large-scale magnetic field topology. An increased flux emergence rate increases the magnetic flux in all field components and an increased differential rotation increases the toroidal field fraction by decreasing the poloidal field. The meridional flow affects the distribution of the magnetic energy across the spherical harmonic modes.

Towards a Credibility Assessment of Models and Simulations

NASA Technical Reports Server (NTRS)

Blattnig, Steve R.; Green, Lawrence L.; Luckring, James M.; Morrison, Joseph H.; Tripathi, Ram K.; Zang, Thomas A.

2008-01-01

A scale is presented to evaluate the rigor of modeling and simulation (M&S) practices for the purpose of supporting a credibility assessment of the M&S results. The scale distinguishes required and achieved levels of rigor for a set of M&S elements that contribute to credibility including both technical and process measures. The work has its origins in an interest within NASA to include a Credibility Assessment Scale in development of a NASA standard for models and simulations.

Airfoil Ice-Accretion Aerodynamics Simulation

NASA Technical Reports Server (NTRS)

Bragg, Michael B.; Broeren, Andy P.; Addy, Harold E.; Potapczuk, Mark G.; Guffond, Didier; Montreuil, E.

2007-01-01

NASA Glenn Research Center, ONERA, and the University of Illinois are conducting a major research program whose goal is to improve our understanding of the aerodynamic scaling of ice accretions on airfoils. The program when it is completed will result in validated scaled simulation methods that produce the essential aerodynamic features of the full-scale iced-airfoil. This research will provide some of the first, high-fidelity, full-scale, iced-airfoil aerodynamic data. An initial study classified ice accretions based on their aerodynamics into four types: roughness, streamwise ice, horn ice, and spanwise-ridge ice. Subscale testing using a NACA 23012 airfoil was performed in the NASA IRT and University of Illinois wind tunnel to better understand the aerodynamics of these ice types and to test various levels of ice simulation fidelity. These studies are briefly reviewed here and have been presented in more detail in other papers. Based on these results, full-scale testing at the ONERA F1 tunnel using cast ice shapes obtained from molds taken in the IRT will provide full-scale iced airfoil data from full-scale ice accretions. Using these data as a baseline, the final step is to validate the simulation methods in scale in the Illinois wind tunnel. Computational ice accretion methods including LEWICE and ONICE have been used to guide the experiments and are briefly described and results shown. When full-scale and simulation aerodynamic results are available, these data will be used to further develop computational tools. Thus the purpose of the paper is to present an overview of the program and key results to date.

High performance cellular level agent-based simulation with FLAME for the GPU.

PubMed

Richmond, Paul; Walker, Dawn; Coakley, Simon; Romano, Daniela

2010-05-01

Driven by the availability of experimental data and ability to simulate a biological scale which is of immediate interest, the cellular scale is fast emerging as an ideal candidate for middle-out modelling. As with 'bottom-up' simulation approaches, cellular level simulations demand a high degree of computational power, which in large-scale simulations can only be achieved through parallel computing. The flexible large-scale agent modelling environment (FLAME) is a template driven framework for agent-based modelling (ABM) on parallel architectures ideally suited to the simulation of cellular systems. It is available for both high performance computing clusters (www.flame.ac.uk) and GPU hardware (www.flamegpu.com) and uses a formal specification technique that acts as a universal modelling format. This not only creates an abstraction from the underlying hardware architectures, but avoids the steep learning curve associated with programming them. In benchmarking tests and simulations of advanced cellular systems, FLAME GPU has reported massive improvement in performance over more traditional ABM frameworks. This allows the time spent in the development and testing stages of modelling to be drastically reduced and creates the possibility of real-time visualisation for simple visual face-validation.

Deep Convection, Magnetism and Solar Supergranulation

NASA Astrophysics Data System (ADS)

Lord, J. W.

We examine the effect of deep convection and magnetic fields on solar supergranulation. While supergranulation was originally identified as a convective flow from relatively great depth below the solar surface, recent work suggests that supergranules may originate near the surface. We use the MURaM code to simulate solar-like surface convection with a realistic photosphere and domain size up to 197 x 197 x 49 Mm3. This yields nearly five orders of magnitude of density contrast between the bottom of the domain and the photosphere which is the most stratified solar-like convection simulations that we are aware of. Magnetic fields were thought to be a passive tracer in the photosphere, but recent work suggests that magnetism could provide a mechanism that enhances the supergranular scale flows at the surface. In particular, the enhanced radiative losses through long lived magnetic network elements may increase the lifetime of photospheric downflows and help organize low wavenumber flows. Since our simulation does not have sufficient resolution to resolve increased cooling by magnetic bright points, we artificially increase the radiative cooling in elements with strong magnetic flux. These simulations increase the cooling by 10% for magnetic field strength greater than 100 G. We find no statistically significant difference in the velocity or magnetic field spectrum by enhancing the radiative cooling. We also find no differences in the time scale of the flows or the length scales of the magnetic energy spectrum. This suggests that the magnetic field is determined by the flows and is largely a passive tracer. We use these simulations to construct a two-component model of the flows: for scales smaller than the driving (integral) scale (which is four times the local density scale height) the flows follow a Kolmogorov (k-5/3) spectrum, while larger scale modes decay with height from their driving depth (i.e. the depth where the wavelength of the mode is equal to the driving (integral) scale). This model reproduces the MURaM results well and suggests that the low wavenumber power in the photosphere imprints from below. In particular, the amplitude of the driving (integral) scale mode at each depth determines how much power imprints on the surface flows. This is validated by MURaM simulations of varying depth that show that increasing depths contribute power at a particular scale (or range of scales) that is always at lower wavenumbers than shallower flows. The mechanism for this imprinting remains unclear but, given the importance of the balances in the continuity equation to determining the spectrum of the flows, we suggest that pressure perturbations in the convective upflows are the imprinting mechanism. By comparing the MURaM simulations to SDO/HMI observations (using the coherent structure tracking code to compute the inferred horizontal velocities on both data sets), we find that the simulations have significant excess power for scales larger than supergranulation. The only way to match observations is by using an artificial energy flux to transport the solar luminosity for all depths greater than 10 Mm below the photosphere (down to the bottom of the domain at 49 Mm depth). While magnetic fields from small-scale dynamo simulations help reduce the rms velocity required to transport the solar luminosity below the surface, this provides only a small reduction in low wavenumber power in the photosphere. The convective energy transport in the Sun is constrained by theoretical models and the solar radiative luminosity. The amplitude or scale of the convective flows that transport the energy, however, are not constrained. The strong low wavenumber flows found in these local simulations are also present in current generation global simulations. While local or global dynamo magnetic fields may help suppress these large-scale flows, the magnetic fields must be substantially stronger throughout the convection domains for these simulations to match observations. The significant decrease in low wavenumber flow amplitude in the artificial energy flux simulation that matches the observed photospheric horizontal velocity spectrum suggests that convection in the Sun transports the solar luminosity with much weaker large-scale flows. This suggests that we do not understand how convective transport works in the Sun for depths greater than 10 Mm below the photosphere.

Reducing Errors in Satellite Simulated Views of Clouds with an Improved Parameterization of Unresolved Scales

NASA Astrophysics Data System (ADS)

Hillman, B. R.; Marchand, R.; Ackerman, T. P.

2016-12-01

Satellite instrument simulators have emerged as a means to reduce errors in model evaluation by producing simulated or psuedo-retrievals from model fields, which account for limitations in the satellite retrieval process. Because of the mismatch in resolved scales between satellite retrievals and large-scale models, model cloud fields must first be downscaled to scales consistent with satellite retrievals. This downscaling is analogous to that required for model radiative transfer calculations. The assumption is often made in both model radiative transfer codes and satellite simulators that the unresolved clouds follow maximum-random overlap with horizontally homogeneous cloud condensate amounts. We examine errors in simulated MISR and CloudSat retrievals that arise due to these assumptions by applying the MISR and CloudSat simulators to cloud resolving model (CRM) output generated by the Super-parameterized Community Atmosphere Model (SP-CAM). Errors are quantified by comparing simulated retrievals performed directly on the CRM fields with those simulated by first averaging the CRM fields to approximately 2-degree resolution, applying a "subcolumn generator" to regenerate psuedo-resolved cloud and precipitation condensate fields, and then applying the MISR and CloudSat simulators on the regenerated condensate fields. We show that errors due to both assumptions of maximum-random overlap and homogeneous condensate are significant (relative to uncertainties in the observations and other simulator limitations). The treatment of precipitation is particularly problematic for CloudSat-simulated radar reflectivity. We introduce an improved subcolumn generator for use with the simulators, and show that these errors can be greatly reduced by replacing the maximum-random overlap assumption with the more realistic generalized overlap and incorporating a simple parameterization of subgrid-scale cloud and precipitation condensate heterogeneity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. SAND NO. SAND2016-7485 A

High Fidelity Simulations of Large-Scale Wireless Networks (Plus-Up)

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

Onunkwo, Uzoma

Sandia has built a strong reputation in scalable network simulation and emulation for cyber security studies to protect our nation’s critical information infrastructures. Georgia Tech has preeminent reputation in academia for excellence in scalable discrete event simulations, with strong emphasis on simulating cyber networks. Many of the experts in this field, such as Dr. Richard Fujimoto, Dr. George Riley, and Dr. Chris Carothers, have strong affiliations with Georgia Tech. The collaborative relationship that we intend to immediately pursue is in high fidelity simulations of practical large-scale wireless networks using ns-3 simulator via Dr. George Riley. This project will have mutualmore » benefits in bolstering both institutions’ expertise and reputation in the field of scalable simulation for cyber-security studies. This project promises to address high fidelity simulations of large-scale wireless networks. This proposed collaboration is directly in line with Georgia Tech’s goals for developing and expanding the Communications Systems Center, the Georgia Tech Broadband Institute, and Georgia Tech Information Security Center along with its yearly Emerging Cyber Threats Report. At Sandia, this work benefits the defense systems and assessment area with promise for large-scale assessment of cyber security needs and vulnerabilities of our nation’s critical cyber infrastructures exposed to wireless communications.« less

Time and length scales within a fire and implications for numerical simulation

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

TIESZEN,SHELDON R.

2000-02-02

A partial non-dimensionalization of the Navier-Stokes equations is used to obtain order of magnitude estimates of the rate-controlling transport processes in the reacting portion of a fire plume as a function of length scale. Over continuum length scales, buoyant times scales vary as the square root of the length scale; advection time scales vary as the length scale, and diffusion time scales vary as the square of the length scale. Due to the variation with length scale, each process is dominant over a given range. The relationship of buoyancy and baroclinc vorticity generation is highlighted. For numerical simulation, first principlesmore » solution for fire problems is not possible with foreseeable computational hardware in the near future. Filtered transport equations with subgrid modeling will be required as two to three decades of length scale are captured by solution of discretized conservation equations. By whatever filtering process one employs, one must have humble expectations for the accuracy obtainable by numerical simulation for practical fire problems that contain important multi-physics/multi-length-scale coupling with up to 10 orders of magnitude in length scale.« less

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

Rizzi, Silvio; Hereld, Mark; Insley, Joseph

In this work we perform in-situ visualization of molecular dynamics simulations, which can help scientists to visualize simulation output on-the-fly, without incurring storage overheads. We present a case study to couple LAMMPS, the large-scale molecular dynamics simulation code with vl3, our parallel framework for large-scale visualization and analysis. Our motivation is to identify effective approaches for covisualization and exploration of large-scale atomistic simulations at interactive frame rates.We propose a system of coupled libraries and describe its architecture, with an implementation that runs on GPU-based clusters. We present the results of strong and weak scalability experiments, as well as future researchmore » avenues based on our results.« less

Real-time simulation of large-scale floods

NASA Astrophysics Data System (ADS)

Liu, Q.; Qin, Y.; Li, G. D.; Liu, Z.; Cheng, D. J.; Zhao, Y. H.

2016-08-01

According to the complex real-time water situation, the real-time simulation of large-scale floods is very important for flood prevention practice. Model robustness and running efficiency are two critical factors in successful real-time flood simulation. This paper proposed a robust, two-dimensional, shallow water model based on the unstructured Godunov- type finite volume method. A robust wet/dry front method is used to enhance the numerical stability. An adaptive method is proposed to improve the running efficiency. The proposed model is used for large-scale flood simulation on real topography. Results compared to those of MIKE21 show the strong performance of the proposed model.

A Lattice Boltzmann Method for Turbomachinery Simulations

NASA Technical Reports Server (NTRS)

Hsu, A. T.; Lopez, I.

2003-01-01

Lattice Boltzmann (LB) Method is a relatively new method for flow simulations. The start point of LB method is statistic mechanics and Boltzmann equation. The LB method tries to set up its model at molecular scale and simulate the flow at macroscopic scale. LBM has been applied to mostly incompressible flows and simple geometry.

Psychometric testing on the NLN Student Satisfaction and Self-Confidence in Learning, Simulation Design Scale, and Educational Practices Questionnaire using a sample of pre-licensure novice nurses.

PubMed

Franklin, Ashley E; Burns, Paulette; Lee, Christopher S

2014-10-01

In 2006, the National League for Nursing published three measures related to novice nurses' beliefs about self-confidence, scenario design, and educational practices associated with simulation. Despite the extensive use of these measures, little is known about their reliability and validity. The psychometric properties of the Student Satisfaction and Self-Confidence in Learning Scale, Simulation Design Scale, and Educational Practices Questionnaire were studied among a sample of 2200 surveys completed by novice nurses from a liberal arts university in the southern United States. Psychometric tests included item analysis, confirmatory and exploratory factor analyses in randomly-split subsamples, concordant and discordant validity, and internal consistency. All three measures have sufficient reliability and validity to be used in education research. There is room for improvement in content validity with the Student Satisfaction and Self-Confidence in Learning and Simulation Design Scale. This work provides robust evidence to ensure that judgments made about self-confidence after simulation, simulation design and educational practices are valid and reliable. Copyright © 2014 Elsevier Ltd. All rights reserved.

Numerical simulation on hydromechanical coupling in porous media adopting three-dimensional pore-scale model.

PubMed

Liu, Jianjun; Song, Rui; Cui, Mengmeng

2014-01-01

A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view.

Numerical Simulation on Hydromechanical Coupling in Porous Media Adopting Three-Dimensional Pore-Scale Model

PubMed Central

Liu, Jianjun; Song, Rui; Cui, Mengmeng

2014-01-01

A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view. PMID:24955384

Distinguishing simulated from genuine dissociative identity disorder on the MMPI-2.

PubMed

Brand, Bethany L; Chasson, Gregory S

2015-01-01

Due to high elevations on validity and clinical scales on personality and forensic measures, it is challenging to determine if individuals presenting with symptoms of dissociative identity disorder (DID) are genuine or not. Little research has focused on malingering DID, or on the broader issue of the profiles these patients obtain on the Minnesota Multiphasic Personality Inventory (MMPI-2), despite increasing awareness of dissociation. This study sought to characterize the MMPI-2 profiles of DID patients and to determine the utility of the MMPI-2 in distinguishing DID patients from uncoached and coached DID simulators. The analyses revealed that Infrequency, Back Infrequency, and Infrequency-Psychopathology (Fp) distinguished simulators from genuine DID patients. Fp was best able to discriminate simulated DID. Utility statistics and classification functions are provided for classifying individual profiles as indicative of genuine or simulated DID. Despite exposure to information about DID, the simulators were not able to accurately feign DID, which is inconsistent with the iatrogenic/sociocultural model of DID. Given that dissociation was strongly associated with elevations in validity, as well as clinical scales, including Scale 8 (i.e., Schizophrenia), considerable caution should be used in interpreting validity scales as indicative of feigning, and Scale 8 as indicative of schizophrenia, among highly dissociative individuals. (c) 2015 APA, all rights reserved).

Design, construction, and evaluation of a 1:8 scale model binaural manikin.

PubMed

Robinson, Philip; Xiang, Ning

2013-03-01

Many experiments in architectural acoustics require presenting listeners with simulations of different rooms to compare. Acoustic scale modeling is a feasible means to create accurate simulations of many rooms at reasonable cost. A critical component in a scale model room simulation is a receiver that properly emulates a human receiver. For this purpose, a scale model artificial head has been constructed and tested. This paper presents the design and construction methods used, proper equalization procedures, and measurements of its response. A headphone listening experiment examining sound externalization with various reflection conditions is presented that demonstrates its use for psycho-acoustic testing.

Nonholonomic Hamiltonian Method for Meso-macroscale Simulations of Reacting Shocks

NASA Astrophysics Data System (ADS)

Fahrenthold, Eric; Lee, Sangyup

2015-06-01

The seamless integration of macroscale, mesoscale, and molecular scale models of reacting shock physics has been hindered by dramatic differences in the model formulation techniques normally used at different scales. In recent research the authors have developed the first unified discrete Hamiltonian approach to multiscale simulation of reacting shock physics. Unlike previous work, the formulation employs reacting themomechanical Hamiltonian formulations at all scales, including the continuum. Unlike previous work, the formulation employs a nonholonomic modeling approach to systematically couple the models developed at all scales. Example applications of the method show meso-macroscale shock to detonation simulations in nitromethane and RDX. Research supported by the Defense Threat Reduction Agency.

Turbulence modeling and combustion simulation in porous media under high Peclet number

NASA Astrophysics Data System (ADS)

Moiseev, Andrey A.; Savin, Andrey V.

2018-05-01

Turbulence modelling in porous flows and burning still remains not completely clear until now. Undoubtedly, conventional turbulence models must work well under high Peclet numbers when porous channels shape is implemented in details. Nevertheless, the true turbulent mixing takes place at micro-scales only, and the dispersion mixing works at macro-scales almost independent from true turbulence. The dispersion mechanism is characterized by the definite space scale (scale of the porous structure) and definite velocity scale (filtration velocity). The porous structure is stochastic one usually, and this circumstance allows applying the analogy between space-time-stochastic true turbulence and the dispersion flow which is stochastic in space only, when porous flow is simulated at the macro-scale level. Additionally, the mentioned analogy allows applying well-known turbulent combustion models in simulations of porous combustion under high Peclet numbers.

RANS Simulation (Rotating Reference Frame Model [RRF]) of Single Lab-Scaled DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Stelzenmuller, Nick; Aliseda, Alberto; Seydel, Joseph

2014-04-15

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study taking advantage of the symmetry of lab-scaled DOE RM1 geometry, only half of the geometry is models using (Single) Rotating Reference Frame model [RRF]. In this model RANS equations, coupled with k-\\omega turbulence closure model, are solved in the rotating reference frame. The actual geometry of the turbine blade is included and the turbulent boundary layer along the blade span is simulated using wall-function approach. The rotation of the blade is modeled by applying periodic boundary condition to sets of plane of symmetry. This case study simulates the performance and flow field in the near and far wake of the device at the desired operating conditions. The results of these simulations were validated against in-house experimental data. Please see the attached paper.

Aerodynamic Simulation of Ice Accretion on Airfoils

NASA Technical Reports Server (NTRS)

Broeren, Andy P.; Addy, Harold E., Jr.; Bragg, Michael B.; Busch, Greg T.; Montreuil, Emmanuel

2011-01-01

This report describes recent improvements in aerodynamic scaling and simulation of ice accretion on airfoils. Ice accretions were classified into four types on the basis of aerodynamic effects: roughness, horn, streamwise, and spanwise ridge. The NASA Icing Research Tunnel (IRT) was used to generate ice accretions within these four types using both subscale and full-scale models. Large-scale, pressurized windtunnel testing was performed using a 72-in.- (1.83-m-) chord, NACA 23012 airfoil model with high-fidelity, three-dimensional castings of the IRT ice accretions. Performance data were recorded over Reynolds numbers from 4.5 x 10(exp 6) to 15.9 x 10(exp 6) and Mach numbers from 0.10 to 0.28. Lower fidelity ice-accretion simulation methods were developed and tested on an 18-in.- (0.46-m-) chord NACA 23012 airfoil model in a small-scale wind tunnel at a lower Reynolds number. The aerodynamic accuracy of the lower fidelity, subscale ice simulations was validated against the full-scale results for a factor of 4 reduction in model scale and a factor of 8 reduction in Reynolds number. This research has defined the level of geometric fidelity required for artificial ice shapes to yield aerodynamic performance results to within a known level of uncertainty and has culminated in a proposed methodology for subscale iced-airfoil aerodynamic simulation.

Experimental and analytical studies of advanced air cushion landing systems

NASA Technical Reports Server (NTRS)

Lee, E. G. S.; Boghani, A. B.; Captain, K. M.; Rutishauser, H. J.; Farley, H. L.; Fish, R. B.; Jeffcoat, R. L.

1981-01-01

Several concepts are developed for air cushion landing systems (ACLS) which have the potential for improving performance characteristics (roll stiffness, heave damping, and trunk flutter), and reducing fabrication cost and complexity. After an initial screening, the following five concepts were evaluated in detail: damped trunk, filled trunk, compartmented trunk, segmented trunk, and roll feedback control. The evaluation was based on tests performed on scale models. An ACLS dynamic simulation developed earlier is updated so that it can be used to predict the performance of full-scale ACLS incorporating these refinements. The simulation was validated through scale-model tests. A full-scale ACLS based on the segmented trunk concept was fabricated and installed on the NASA ACLS test vehicle, where it is used to support advanced system development. A geometrically-scaled model (one third full scale) of the NASA test vehicle was fabricated and tested. This model, evaluated by means of a series of static and dynamic tests, is used to investigate scaling relationships between reduced and full-scale models. The analytical model developed earlier is applied to simulate both the one third scale and the full scale response.

Plane-dependent ML scatter scaling: 3D extension of the 2D simulated single scatter (SSS) estimate.

PubMed

Rezaei, Ahmadreza; Salvo, Koen; Vahle, Thomas; Panin, Vladimir; Casey, Michael; Boada, Fernando; Defrise, Michel; Nuyts, Johan

2017-07-24

Scatter correction is typically done using a simulation of the single scatter, which is then scaled to account for multiple scatters and other possible model mismatches. This scaling factor is determined by fitting the simulated scatter sinogram to the measured sinogram, using only counts measured along LORs that do not intersect the patient body, i.e. 'scatter-tails'. Extending previous work, we propose to scale the scatter with a plane dependent factor, which is determined as an additional unknown in the maximum likelihood (ML) reconstructions, using counts in the entire sinogram rather than only the 'scatter-tails'. The ML-scaled scatter estimates are validated using a Monte-Carlo simulation of a NEMA-like phantom, a phantom scan with typical contrast ratios of a 68 Ga-PSMA scan, and 23 whole-body 18 F-FDG patient scans. On average, we observe a 12.2% change in the total amount of tracer activity of the MLEM reconstructions of our whole-body patient database when the proposed ML scatter scales are used. Furthermore, reconstructions using the ML-scaled scatter estimates are found to eliminate the typical 'halo' artifacts that are often observed in the vicinity of high focal uptake regions.

Scale issues in soil hydrology related to measurement and simulation: A case study in Colorado

USDA-ARS?s Scientific Manuscript database

State variables, such as soil water content (SWC), are typically measured or inferred at very small scales while being simulated at larger scales relevant to spatial management or hillslope areas. Thus there is an implicit spatial disparity that is often ignored. Surface runoff, on the other hand, ...

Examination of the MMPI-2 restructured form (MMPI-2-RF) validity scales in civil forensic settings: findings from simulation and known group samples.

PubMed

Wygant, Dustin B; Ben-Porath, Yossef S; Arbisi, Paul A; Berry, David T R; Freeman, David B; Heilbronner, Robert L

2009-11-01

The current study examined the effectiveness of the MMPI-2 Restructured Form (MMPI-2-RF; Ben-Porath and Tellegen, 2008) over-reporting indicators in civil forensic settings. The MMPI-2-RF includes three revised MMPI-2 over-reporting validity scales and a new scale to detect over-reported somatic complaints. Participants dissimulated medical and neuropsychological complaints in two simulation samples, and a known-groups sample used symptom validity tests as a response bias criterion. Results indicated large effect sizes for the MMPI-2-RF validity scales, including a Cohen's d of .90 for Fs in a head injury simulation sample, 2.31 for FBS-r, 2.01 for F-r, and 1.97 for Fs in a medical simulation sample, and 1.45 for FBS-r and 1.30 for F-r in identifying poor effort on SVTs. Classification results indicated good sensitivity and specificity for the scales across the samples. This study indicates that the MMPI-2-RF over-reporting validity scales are effective at detecting symptom over-reporting in civil forensic settings.

Modeling Framework for Fracture in Multiscale Cement-Based Material Structures

PubMed Central

Qian, Zhiwei; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

2017-01-01

Multiscale modeling for cement-based materials, such as concrete, is a relatively young subject, but there are already a number of different approaches to study different aspects of these classical materials. In this paper, the parameter-passing multiscale modeling scheme is established and applied to address the multiscale modeling problem for the integrated system of cement paste, mortar, and concrete. The block-by-block technique is employed to solve the length scale overlap challenge between the mortar level (0.1–10 mm) and the concrete level (1–40 mm). The microstructures of cement paste are simulated by the HYMOSTRUC3D model, and the material structures of mortar and concrete are simulated by the Anm material model. Afterwards the 3D lattice fracture model is used to evaluate their mechanical performance by simulating a uniaxial tensile test. The simulated output properties at a lower scale are passed to the next higher scale to serve as input local properties. A three-level multiscale lattice fracture analysis is demonstrated, including cement paste at the micrometer scale, mortar at the millimeter scale, and concrete at centimeter scale. PMID:28772948

PIC Simulations of Hypersonic Plasma Instabilities

NASA Astrophysics Data System (ADS)

Niehoff, D.; Ashour-Abdalla, M.; Niemann, C.; Decyk, V.; Schriver, D.; Clark, E.

2013-12-01

The plasma sheaths formed around hypersonic aircraft (Mach number, M > 10) are relatively unexplored and of interest today to both further the development of new technologies and solve long-standing engineering problems. Both laboratory experiments and analytical/numerical modeling are required to advance the understanding of these systems; it is advantageous to perform these tasks in tandem. There has already been some work done to study these plasmas by experiments that create a rapidly expanding plasma through ablation of a target with a laser. In combination with a preformed magnetic field, this configuration leads to a magnetic "bubble" formed behind the front as particles travel at about Mach 30 away from the target. Furthermore, the experiment was able to show the generation of fast electrons which could be due to instabilities on electron scales. To explore this, future experiments will have more accurate diagnostics capable of observing time- and length-scales below typical ion scales, but simulations are a useful tool to explore these plasma conditions theoretically. Particle in Cell (PIC) simulations are necessary when phenomena are expected to be observed at these scales, and also have the advantage of being fully kinetic with no fluid approximations. However, if the scales of the problem are not significantly below the ion scales, then the initialization of the PIC simulation must be very carefully engineered to avoid unnecessary computation and to select the minimum window where structures of interest can be studied. One method of doing this is to seed the simulation with either experiment or ion-scale simulation results. Previous experiments suggest that a useful configuration for studying hypersonic plasma configurations is a ring of particles rapidly expanding transverse to an external magnetic field, which has been simulated on the ion scale with an ion-hybrid code. This suggests that the PIC simulation should have an equivalent configuration; however, modeling a plasma expanding radially in every direction is computationally expensive. In order to reduce the computational expense, we use a radial density profile from the hybrid simulation results to seed a self-consistent PIC simulation in one direction (x), while creating a current in the direction (y) transverse to both the drift velocity and the magnetic field (z) to create the magnetic bubble observed in experiment. The simulation will be run in two spatial dimensions but retain three velocity dimensions, and the results will be used to explore the growth of micro-instabilities present in hypersonic plasmas in the high-density region as it moves through the simulation box. This will still require a significantly large box in order to compare with experiment, as the experiments are being performed over distances of 104 λDe and durations of 105 ωpe-1.

Dependence of Snowmelt Simulations on Scaling of the Forcing Processes (Invited)

NASA Astrophysics Data System (ADS)

Winstral, A. H.; Marks, D. G.; Gurney, R. J.

2009-12-01

The spatial organization and scaling relationships of snow distribution in mountain environs is ultimately dependent on the controlling processes. These processes include interactions between weather, topography, vegetation, snow state, and seasonally-dependent radiation inputs. In large scale snow modeling it is vital to know these dependencies to obtain accurate predictions while reducing computational costs. This study examined the scaling characteristics of the forcing processes and the dependency of distributed snowmelt simulations to their scaling. A base model simulation characterized these processes with 10m resolution over a 14.0 km2 basin with an elevation range of 1474 - 2244 masl. Each of the major processes affecting snow accumulation and melt - precipitation, wind speed, solar radiation, thermal radiation, temperature, and vapor pressure - were independently degraded to 1 km resolution. Seasonal and event-specific results were analyzed. Results indicated that scale effects on melt vary by process and weather conditions. The dependence of melt simulations on the scaling of solar radiation fluxes also had a seasonal component. These process-based scaling characteristics should remain static through time as they are based on physical considerations. As such, these results not only provide guidance for current modeling efforts, but are also well suited to predicting how potential climate changes will affect the heterogeneity of mountain snow distributions.

Micro-scale finite element modeling of ultrasound propagation in aluminum trabecular bone-mimicking phantoms: A comparison between numerical simulation and experimental results.

PubMed

Vafaeian, B; Le, L H; Tran, T N H T; El-Rich, M; El-Bialy, T; Adeeb, S

2016-05-01

The present study investigated the accuracy of micro-scale finite element modeling for simulating broadband ultrasound propagation in water-saturated trabecular bone-mimicking phantoms. To this end, five commercially manufactured aluminum foam samples as trabecular bone-mimicking phantoms were utilized for ultrasonic immersion through-transmission experiments. Based on micro-computed tomography images of the same physical samples, three-dimensional high-resolution computational samples were generated to be implemented in the micro-scale finite element models. The finite element models employed the standard Galerkin finite element method (FEM) in time domain to simulate the ultrasonic experiments. The numerical simulations did not include energy dissipative mechanisms of ultrasonic attenuation; however, they expectedly simulated reflection, refraction, scattering, and wave mode conversion. The accuracy of the finite element simulations were evaluated by comparing the simulated ultrasonic attenuation and velocity with the experimental data. The maximum and the average relative errors between the experimental and simulated attenuation coefficients in the frequency range of 0.6-1.4 MHz were 17% and 6% respectively. Moreover, the simulations closely predicted the time-of-flight based velocities and the phase velocities of ultrasound with maximum relative errors of 20 m/s and 11 m/s respectively. The results of this study strongly suggest that micro-scale finite element modeling can effectively simulate broadband ultrasound propagation in water-saturated trabecular bone-mimicking structures. Copyright © 2016 Elsevier B.V. All rights reserved.

The void spectrum in two-dimensional numerical simulations of gravitational clustering

NASA Technical Reports Server (NTRS)

Kauffmann, Guinevere; Melott, Adrian L.

1992-01-01

An algorithm for deriving a spectrum of void sizes from two-dimensional high-resolution numerical simulations of gravitational clustering is tested, and it is verified that it produces the correct results where those results can be anticipated. The method is used to study the growth of voids as clustering proceeds. It is found that the most stable indicator of the characteristic void 'size' in the simulations is the mean fractional area covered by voids of diameter d, in a density field smoothed at its correlation length. Very accurate scaling behavior is found in power-law numerical models as they evolve. Eventually, this scaling breaks down as the nonlinearity reaches larger scales. It is shown that this breakdown is a manifestation of the undesirable effect of boundary conditions on simulations, even with the very large dynamic range possible here. A simple criterion is suggested for deciding when simulations with modest large-scale power may systematically underestimate the frequency of larger voids.

Large Scale Traffic Simulations

DOT National Transportation Integrated Search

1997-01-01

Large scale microscopic (i.e. vehicle-based) traffic simulations pose high demands on computation speed in at least two application areas: (i) real-time traffic forecasting, and (ii) long-term planning applications (where repeated "looping" between t...

Formalizing Knowledge in Multi-Scale Agent-Based Simulations

PubMed Central

Somogyi, Endre; Sluka, James P.; Glazier, James A.

2017-01-01

Multi-scale, agent-based simulations of cellular and tissue biology are increasingly common. These simulations combine and integrate a range of components from different domains. Simulations continuously create, destroy and reorganize constituent elements causing their interactions to dynamically change. For example, the multi-cellular tissue development process coordinates molecular, cellular and tissue scale objects with biochemical, biomechanical, spatial and behavioral processes to form a dynamic network. Different domain specific languages can describe these components in isolation, but cannot describe their interactions. No current programming language is designed to represent in human readable and reusable form the domain specific knowledge contained in these components and interactions. We present a new hybrid programming language paradigm that naturally expresses the complex multi-scale objects and dynamic interactions in a unified way and allows domain knowledge to be captured, searched, formalized, extracted and reused. PMID:29338063

Formalizing Knowledge in Multi-Scale Agent-Based Simulations.

PubMed

Somogyi, Endre; Sluka, James P; Glazier, James A

2016-10-01

Multi-scale, agent-based simulations of cellular and tissue biology are increasingly common. These simulations combine and integrate a range of components from different domains. Simulations continuously create, destroy and reorganize constituent elements causing their interactions to dynamically change. For example, the multi-cellular tissue development process coordinates molecular, cellular and tissue scale objects with biochemical, biomechanical, spatial and behavioral processes to form a dynamic network. Different domain specific languages can describe these components in isolation, but cannot describe their interactions. No current programming language is designed to represent in human readable and reusable form the domain specific knowledge contained in these components and interactions. We present a new hybrid programming language paradigm that naturally expresses the complex multi-scale objects and dynamic interactions in a unified way and allows domain knowledge to be captured, searched, formalized, extracted and reused.

Hybrid Reynolds-Averaged/Large Eddy Simulation of the Flow in a Model SCRamjet Cavity Flameholder

NASA Technical Reports Server (NTRS)

Baurle, R. A.

2016-01-01

Steady-state and scale-resolving simulations have been performed for flow in and around a model scramjet combustor flameholder. Experimental data available for this configuration include velocity statistics obtained from particle image velocimetry. Several turbulence models were used for the steady-state Reynolds-averaged simulations which included both linear and non-linear eddy viscosity models. The scale-resolving simulations used a hybrid Reynolds-averaged/large eddy simulation strategy that is designed to be a large eddy simulation everywhere except in the inner portion (log layer and below) of the boundary layer. Hence, this formulation can be regarded as a wall-modeled large eddy simulation. This e ort was undertaken to not only assess the performance of the hybrid Reynolds-averaged / large eddy simulation modeling approach in a flowfield of interest to the scramjet research community, but to also begin to understand how this capability can best be used to augment standard Reynolds-averaged simulations. The numerical errors were quantified for the steady-state simulations, and at least qualitatively assessed for the scale-resolving simulations prior to making any claims of predictive accuracy relative to the measurements. The steady-state Reynolds-averaged results displayed a high degree of variability when comparing the flameholder fuel distributions obtained from each turbulence model. This prompted the consideration of applying the higher-fidelity scale-resolving simulations as a surrogate "truth" model to calibrate the Reynolds-averaged closures in a non-reacting setting prior to their use for the combusting simulations. In general, the Reynolds-averaged velocity profile predictions at the lowest fueling level matched the particle imaging measurements almost as well as was observed for the non-reacting condition. However, the velocity field predictions proved to be more sensitive to the flameholder fueling rate than was indicated in the measurements.

TASK 2: QUENCH ZONE SIMULATION

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

Fusselman, Steve

Aerojet Rocketdyne (AR) has developed an innovative gasifier concept incorporating advanced technologies in ultra-dense phase dry feed system, rapid mix injector, and advanced component cooling to significantly improve gasifier performance, life, and cost compared to commercially available state-of-the-art systems. A key feature of the AR gasifier design is the transition from the gasifier outlet into the quench zone, where the raw syngas is cooled to ~ 400°C by injection and vaporization of atomized water. Earlier pilot plant testing revealed a propensity for the original gasifier outlet design to accumulate slag in the outlet, leading to erratic syngas flow from themore » outlet. Subsequent design modifications successfully resolved this issue in the pilot plant gasifier. In order to gain greater insight into the physical phenomena occurring within this zone, AR developed a cold flow simulation apparatus with Coanda Research & Development with a high degree of similitude to hot fire conditions with the pilot scale gasifier design, and capable of accommodating a scaled-down quench zone for a demonstration-scale gasifier. The objective of this task was to validate similitude of the cold flow simulation model by comparison of pilot-scale outlet design performance, and to assess demonstration scale gasifier design feasibility from testing of a scaled-down outlet design. Test results did exhibit a strong correspondence with the two pilot scale outlet designs, indicating credible similitude for the cold flow simulation device. Testing of the scaled-down outlet revealed important considerations in the design and operation of the demonstration scale gasifier, in particular pertaining to the relative momentum between the downcoming raw syngas and the sprayed quench water and associated impacts on flow patterns within the quench zone. This report describes key findings from the test program, including assessment of pilot plant configuration simulations relative to actual results on the pilot plant gasifier and demonstration plant design recommendations, based on cold flow simulation results.« less

The Buildup of a Scale-free Photospheric Magnetic Network

NASA Astrophysics Data System (ADS)

Thibault, K.; Charbonneau, P.; Crouch, A. D.

2012-10-01

We use a global Monte Carlo simulation of the formation of the solar photospheric magnetic network to investigate the origin of the scale invariance characterizing magnetic flux concentrations visible on high-resolution magnetograms. The simulations include spatially and temporally homogeneous injection of small-scale magnetic elements over the whole photosphere, as well as localized episodic injection associated with the emergence and decay of active regions. Network elements form in response to cumulative pairwise aggregation or cancellation of magnetic elements, undergoing a random walk on the sphere and advected on large spatial scales by differential rotation and a poleward meridional flow. The resulting size distribution of simulated network elements is in very good agreement with observational inferences. We find that the fractal index and size distribution of network elements are determined primarily by these post-emergence surface mechanisms, and carry little or no memory of the scales at which magnetic flux is injected in the simulation. Implications for models of dynamo action in the Sun are briefly discussed.

NASA's Information Power Grid: Large Scale Distributed Computing and Data Management

NASA Technical Reports Server (NTRS)

Johnston, William E.; Vaziri, Arsi; Hinke, Tom; Tanner, Leigh Ann; Feiereisen, William J.; Thigpen, William; Tang, Harry (Technical Monitor)

2001-01-01

Large-scale science and engineering are done through the interaction of people, heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. The overall motivation for Grids is to facilitate the routine interactions of these resources in order to support large-scale science and engineering. Multi-disciplinary simulations provide a good example of a class of applications that are very likely to require aggregation of widely distributed computing, data, and intellectual resources. Such simulations - e.g. whole system aircraft simulation and whole system living cell simulation - require integrating applications and data that are developed by different teams of researchers frequently in different locations. The research team's are the only ones that have the expertise to maintain and improve the simulation code and/or the body of experimental data that drives the simulations. This results in an inherently distributed computing and data management environment.

Evaluation of high fidelity patient simulator in assessment of performance of anaesthetists.

PubMed

Weller, J M; Bloch, M; Young, S; Maze, M; Oyesola, S; Wyner, J; Dob, D; Haire, K; Durbridge, J; Walker, T; Newble, D

2003-01-01

There is increasing emphasis on performance-based assessment of clinical competence. The High Fidelity Patient Simulator (HPS) may be useful for assessment of clinical practice in anaesthesia, but needs formal evaluation of validity, reliability, feasibility and effect on learning. We set out to assess the reliability of a global rating scale for scoring simulator performance in crisis management. Using a global rating scale, three judges independently rated videotapes of anaesthetists in simulated crises in the operating theatre. Five anaesthetists then independently rated subsets of these videotapes. There was good agreement between raters for medical management, behavioural attributes and overall performance. Agreement was high for both the initial judges and the five additional raters. Using a global scale to assess simulator performance, we found good inter-rater reliability for scoring performance in a crisis. We estimate that two judges should provide a reliable assessment. High fidelity simulation should be studied further for assessing clinical performance.

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

NASA Astrophysics Data System (ADS)

Cazade, Pierre-André; Tran, Halina; Bereau, Tristan; Das, Akshaya K.; Kläsi, Felix; Hamm, Peter; Meuwly, Markus

2015-06-01

The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF-HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

Why build a virtual brain? Large-scale neural simulations as jump start for cognitive computing

NASA Astrophysics Data System (ADS)

Colombo, Matteo

2017-03-01

Despite the impressive amount of financial resources recently invested in carrying out large-scale brain simulations, it is controversial what the pay-offs are of pursuing this project. One idea is that from designing, building, and running a large-scale neural simulation, scientists acquire knowledge about the computational performance of the simulating system, rather than about the neurobiological system represented in the simulation. It has been claimed that this knowledge may usher in a new era of neuromorphic, cognitive computing systems. This study elucidates this claim and argues that the main challenge this era is facing is not the lack of biological realism. The challenge lies in identifying general neurocomputational principles for the design of artificial systems, which could display the robust flexibility characteristic of biological intelligence.

Manned remote work station development article

NASA Technical Reports Server (NTRS)

1978-01-01

The two prime objectives of the Manned Remote Work Station (MRWS) Development Article Study are to first, evaluate the MRWS flight article roles and associated design concepts for fundamental requirements and embody key technology developments into a simulation program; and to provide detail manufacturing drawings and schedules for a simulator development test article. An approach is outlined which establishes flight article requirements based on past studies of Solar Power Satellite, orbital construction support equipments, construction bases and near term shuttle operations. Simulation objectives are established for those technology issues that can best be addressed on a simulator. Concepts for full-scale and sub-scale simulators are then studied to establish an overall approach to studying MRWS requirements. Emphasis then shifts to design and specification of a full-scale development test article.

49 CFR Appendix A to Part 239 - Schedule of Civil Penalties 1

Code of Federal Regulations, 2011 CFR

2011-10-01

... emergency responders to participate in emergency simulations 3,000 6,000 (iii) Distribution of applicable... awareness information 3,500 7,000 239.103Failure to conduct a required full-scale simulation in accordance... debriefing and critique session after an emergency or full-scale simulation 4,000 7,500 (d)(1) Failure to...

49 CFR Appendix A to Part 239 - Schedule of Civil Penalties 1

Code of Federal Regulations, 2012 CFR

2012-10-01

... emergency responders to participate in emergency simulations 3,000 6,000 (iii) Distribution of applicable... awareness information 3,500 7,000 239.103Failure to conduct a required full-scale simulation in accordance... debriefing and critique session after an emergency or full-scale simulation 4,000 7,500 (d)(1) Failure to...

49 CFR Appendix A to Part 239 - Schedule of Civil Penalties 1

Code of Federal Regulations, 2014 CFR

2014-10-01

... emergency responders to participate in emergency simulations 3,000 6,000 (iii) Distribution of applicable... passengers with disabilities 2,500 5,000 239.103Failure to conduct a required full-scale simulation in... debriefing and critique session after an emergency or full-scale simulation 4,000 7,500 (c) Failure to design...

49 CFR Appendix A to Part 239 - Schedule of Civil Penalties 1

Code of Federal Regulations, 2010 CFR

2010-10-01

... emergency responders to participate in emergency simulations 3,000 6,000 (iii) Distribution of applicable... awareness information 3,500 7,000 239.103Failure to conduct a required full-scale simulation in accordance... debriefing and critique session after an emergency or full-scale simulation 4,000 7,500 (d)(1) Failure to...

49 CFR Appendix A to Part 239 - Schedule of Civil Penalties 1

Code of Federal Regulations, 2013 CFR

2013-10-01

... emergency responders to participate in emergency simulations 3,000 6,000 (iii) Distribution of applicable... awareness information 3,500 7,000 239.103Failure to conduct a required full-scale simulation in accordance... debriefing and critique session after an emergency or full-scale simulation 4,000 7,500 (d)(1) Failure to...

Performance of Rehabilitated Lightweight Aggregate Asphalt Concrete Pavements Under Wet and Heated Model Mobile Load Simulator Trafficking: A Comparative Study with the TxMLS

DOT National Transportation Integrated Search

2000-03-01

One-third-scale Model Mobile Load Simulator Mk3 (MMLS3) tests were conducted on US 281 in Jacksboro, Texas, adjacent to the full-scale Texas Mobile Load Simulator (TxMLS). The objectives were to investigate the moisture susceptibility and relative pe...

Spatially explicit and stochastic simulation of forest landscape fire disturbance and succession

Treesearch

Hong S. He; David J. Mladenoff

1999-01-01

Understanding disturbance and recovery of forest landscapes is a challenge because of complex interactions over a range of temporal and spatial scales. Landscape simulation models offer an approach to studying such systems at broad scales. Fire can be simulated spatially using mechanistic or stochastic approaches. We describe the fire module in a spatially explicit,...

Using a million cell simulation of the cerebellum: network scaling and task generality.

PubMed

Li, Wen-Ke; Hausknecht, Matthew J; Stone, Peter; Mauk, Michael D

2013-11-01

Several factors combine to make it feasible to build computer simulations of the cerebellum and to test them in biologically realistic ways. These simulations can be used to help understand the computational contributions of various cerebellar components, including the relevance of the enormous number of neurons in the granule cell layer. In previous work we have used a simulation containing 12000 granule cells to develop new predictions and to account for various aspects of eyelid conditioning, a form of motor learning mediated by the cerebellum. Here we demonstrate the feasibility of scaling up this simulation to over one million granule cells using parallel graphics processing unit (GPU) technology. We observe that this increase in number of granule cells requires only twice the execution time of the smaller simulation on the GPU. We demonstrate that this simulation, like its smaller predecessor, can emulate certain basic features of conditioned eyelid responses, with a slight improvement in performance in one measure. We also use this simulation to examine the generality of the computation properties that we have derived from studying eyelid conditioning. We demonstrate that this scaled up simulation can learn a high level of performance in a classic machine learning task, the cart-pole balancing task. These results suggest that this parallel GPU technology can be used to build very large-scale simulations whose connectivity ratios match those of the real cerebellum and that these simulations can be used guide future studies on cerebellar mediated tasks and on machine learning problems. Copyright © 2012 Elsevier Ltd. All rights reserved.

Dynamical Scaling Relations and the Angular Momentum Problem in the FIRE Simulations

NASA Astrophysics Data System (ADS)

Schmitz, Denise; Hopkins, Philip F.; Quataert, Eliot; Keres, Dusan; Faucher-Giguere, Claude-Andre

2015-01-01

Simulations are an extremely important tool with which to study galaxy formation and evolution. However, even state-of-the-art simulations still fail to accurately predict important galaxy properties such as star formation rates and dynamical scaling relations. One possible explanation is the inadequacy of sub-grid models to capture the range of stellar feedback mechanisms which operate below the resolution limit of simulations. FIRE (Feedback in Realistic Environments) is a set of high-resolution cosmological galaxy simulations run using the code GIZMO. It includes more realistic models for various types of feedback including radiation pressure, supernovae, stellar winds, and photoionization and photoelectric heating. Recent FIRE results have demonstrated good agreement with the observed stellar mass-halo mass relation as well as more realistic star formation histories than previous simulations. We investigate the effects of FIRE's improved feedback prescriptions on the simulation "angular momentum problem," i.e., whether FIRE can reproduce observed scaling relations between galaxy stellar mass and rotational/dispersion velocities.

Survey of factors influencing learner engagement with simulation debriefing among nursing students.

PubMed

Roh, Young Sook; Jang, Kie In

2017-12-01

Simulation-based education has escalated worldwide, yet few studies have rigorously explored predictors of learner engagement with simulation debriefing. The purpose of this cross-sectional, descriptive survey was to identify factors that determine learner engagement with simulation debriefing among nursing students. A convenience sample of 296 Korean nursing students enrolled in the simulation-based course completed the survey. A total of five instruments were used: (i) Characteristics of Debriefing; (ii) Debriefing Assessment for Simulation in Healthcare - Student Version; (iii) The Korean version of the Simulation Design Scale; (iv) Communication Skills Scale; and (v) Clinical-Based Stress Scale. Multiple regression analysis was performed using the variables to investigate the influencing factors. The results indicated that influencing factors of learning engagement with simulation debriefing were simulation design, confidentiality, stress, and number of students. Simulation design was the most important factor. Video-assisted debriefing was not a significant factor affecting learner engagement. Educators should organize and conduct debriefing activities while considering these factors to effectively induce learner engagement. Further study is needed to identify the effects of debriefing sessions targeting learners' needs and considering situational factors on learning outcomes. © 2017 John Wiley & Sons Australia, Ltd.

Self-consistency tests of large-scale dynamics parameterizations for single-column modeling

DOE PAGES

Edman, Jacob P.; Romps, David M.

2015-03-18

Large-scale dynamics parameterizations are tested numerically in cloud-resolving simulations, including a new version of the weak-pressure-gradient approximation (WPG) introduced by Edman and Romps (2014), the weak-temperature-gradient approximation (WTG), and a prior implementation of WPG. We perform a series of self-consistency tests with each large-scale dynamics parameterization, in which we compare the result of a cloud-resolving simulation coupled to WTG or WPG with an otherwise identical simulation with prescribed large-scale convergence. In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to either WPG or WTG are self-consistent, butmore » WPG-coupled simulations exhibit a nonmonotonic behavior as the strength of the coupling to WPG is varied. We also perform self-consistency tests based on observed forcings from two observational campaigns: the Tropical Warm Pool International Cloud Experiment (TWP-ICE) and the ARM Southern Great Plains (SGP) Summer 1995 IOP. In these tests, we show that the new version of WPG improves upon prior versions of WPG by eliminating a potentially troublesome gravity-wave resonance.« less

Reaching extended length-scales with temperature-accelerated dynamics

NASA Astrophysics Data System (ADS)

Amar, Jacques G.; Shim, Yunsic

2013-03-01

In temperature-accelerated dynamics (TAD) a high-temperature molecular dynamics (MD) simulation is used to accelerate the search for the next low-temperature activated event. While TAD has been quite successful in extending the time-scales of simulations of non-equilibrium processes, due to the fact that the computational work scales approximately as the cube of the number of atoms, until recently only simulations of relatively small systems have been carried out. Recently, we have shown that by combining spatial decomposition with our synchronous sublattice algorithm, significantly improved scaling is possible. However, in this approach the size of activated events is limited by the processor size while the dynamics is not exact. Here we discuss progress in developing an alternate approach in which high-temperature parallel MD along with localized saddle-point (LSAD) calculations, are used to carry out TAD simulations without restricting the size of activated events while keeping the dynamics ``exact'' within the context of harmonic transition-state theory. In tests of our LSAD method applied to Ag/Ag(100) annealing and Cu/Cu(100) growth simulations we find significantly improved scaling of TAD, while maintaining a negligibly small error in the energy barriers. Supported by NSF DMR-0907399.

Sand waves in environmental flows: Insights gained by coupling large-eddy simulation with morphodynamics

NASA Astrophysics Data System (ADS)

Sotiropoulos, Fotis; Khosronejad, Ali

2016-02-01

Sand waves arise in subaqueous and Aeolian environments as the result of the complex interaction between turbulent flows and mobile sand beds. They occur across a wide range of spatial scales, evolve at temporal scales much slower than the integral scale of the transporting turbulent flow, dominate river morphodynamics, undermine streambank stability and infrastructure during flooding, and sculpt terrestrial and extraterrestrial landscapes. In this paper, we present the vision for our work over the last ten years, which has sought to develop computational tools capable of simulating the coupled interactions of sand waves with turbulence across the broad range of relevant scales: from small-scale ripples in laboratory flumes to mega-dunes in large rivers. We review the computational advances that have enabled us to simulate the genesis and long-term evolution of arbitrarily large and complex sand dunes in turbulent flows using large-eddy simulation and summarize numerous novel physical insights derived from our simulations. Our findings explain the role of turbulent sweeps in the near-bed region as the primary mechanism for destabilizing the sand bed, show that the seeds of the emergent structure in dune fields lie in the heterogeneity of the turbulence and bed shear stress fluctuations over the initially flatbed, and elucidate how large dunes at equilibrium give rise to energetic coherent structures and modify the spectra of turbulence. We also discuss future challenges and our vision for advancing a data-driven simulation-based engineering science approach for site-specific simulations of river flooding.

Sea-ice deformation in a coupled ocean-sea-ice model and in satellite remote sensing data

NASA Astrophysics Data System (ADS)

Spreen, Gunnar; Kwok, Ron; Menemenlis, Dimitris; Nguyen, An T.

2017-07-01

A realistic representation of sea-ice deformation in models is important for accurate simulation of the sea-ice mass balance. Simulated sea-ice deformation from numerical simulations with 4.5, 9, and 18 km horizontal grid spacing and a viscous-plastic (VP) sea-ice rheology are compared with synthetic aperture radar (SAR) satellite observations (RGPS, RADARSAT Geophysical Processor System) for the time period 1996-2008. All three simulations can reproduce the large-scale ice deformation patterns, but small-scale sea-ice deformations and linear kinematic features (LKFs) are not adequately reproduced. The mean sea-ice total deformation rate is about 40 % lower in all model solutions than in the satellite observations, especially in the seasonal sea-ice zone. A decrease in model grid spacing, however, produces a higher density and more localized ice deformation features. The 4.5 km simulation produces some linear kinematic features, but not with the right frequency. The dependence on length scale and probability density functions (PDFs) of absolute divergence and shear for all three model solutions show a power-law scaling behavior similar to RGPS observations, contrary to what was found in some previous studies. Overall, the 4.5 km simulation produces the most realistic divergence, vorticity, and shear when compared with RGPS data. This study provides an evaluation of high and coarse-resolution viscous-plastic sea-ice simulations based on spatial distribution, time series, and power-law scaling metrics.

Higher-level simulations of turbulent flows

NASA Technical Reports Server (NTRS)

Ferziger, J. H.

1981-01-01

The fundamentals of large eddy simulation are considered and the approaches to it are compared. Subgrid scale models and the development of models for the Reynolds-averaged equations are discussed as well as the use of full simulation in testing these models. Numerical methods used in simulating large eddies, the simulation of homogeneous flows, and results from full and large scale eddy simulations of such flows are examined. Free shear flows are considered with emphasis on the mixing layer and wake simulation. Wall-bounded flow (channel flow) and recent work on the boundary layer are also discussed. Applications of large eddy simulation and full simulation in meteorological and environmental contexts are included along with a look at the direction in which work is proceeding and what can be expected from higher-level simulation in the future.

Coarse-graining to the meso and continuum scales with molecular-dynamics-like models

NASA Astrophysics Data System (ADS)

Plimpton, Steve

Many engineering-scale problems that industry or the national labs try to address with particle-based simulations occur at length and time scales well beyond the most optimistic hopes of traditional coarse-graining methods for molecular dynamics (MD), which typically start at the atomic scale and build upward. However classical MD can be viewed as an engine for simulating particles at literally any length or time scale, depending on the models used for individual particles and their interactions. To illustrate I'll highlight several coarse-grained (CG) materials models, some of which are likely familiar to molecular-scale modelers, but others probably not. These include models for water droplet freezing on surfaces, dissipative particle dynamics (DPD) models of explosives where particles have internal state, CG models of nano or colloidal particles in solution, models for aspherical particles, Peridynamics models for fracture, and models of granular materials at the scale of industrial processing. All of these can be implemented as MD-style models for either soft or hard materials; in fact they are all part of our LAMMPS MD package, added either by our group or contributed by collaborators. Unlike most all-atom MD simulations, CG simulations at these scales often involve highly non-uniform particle densities. So I'll also discuss a load-balancing method we've implemented for these kinds of models, which can improve parallel efficiencies. From the physics point-of-view, these models may be viewed as non-traditional or ad hoc. But because they are MD-style simulations, there's an opportunity for physicists to add statistical mechanics rigor to individual models. Or, in keeping with a theme of this session, to devise methods that more accurately bridge models from one scale to the next.

A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media

NASA Astrophysics Data System (ADS)

Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.

2017-12-01

Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.

Investigating the dependence of SCM simulated precipitation and clouds on the spatial scale of large-scale forcing at SGP [Investigating the scale dependence of SCM simulated precipitation and cloud by using gridded forcing data at SGP

DOE PAGES

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

2017-08-05

Large-scale forcing data, such as vertical velocity and advective tendencies, are required to drive single-column models (SCMs), cloud-resolving models, and large-eddy simulations. Previous studies suggest that some errors of these model simulations could be attributed to the lack of spatial variability in the specified domain-mean large-scale forcing. This study investigates the spatial variability of the forcing and explores its impact on SCM simulated precipitation and clouds. A gridded large-scale forcing data during the March 2000 Cloud Intensive Operational Period at the Atmospheric Radiation Measurement program's Southern Great Plains site is used for analysis and to drive the single-column version ofmore » the Community Atmospheric Model Version 5 (SCAM5). When the gridded forcing data show large spatial variability, such as during a frontal passage, SCAM5 with the domain-mean forcing is not able to capture the convective systems that are partly located in the domain or that only occupy part of the domain. This problem has been largely reduced by using the gridded forcing data, which allows running SCAM5 in each subcolumn and then averaging the results within the domain. This is because the subcolumns have a better chance to capture the timing of the frontal propagation and the small-scale systems. As a result, other potential uses of the gridded forcing data, such as understanding and testing scale-aware parameterizations, are also discussed.« less

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

Sprague, Michael A.

Enabled by petascale supercomputing, the next generation of computer models for wind energy will simulate a vast range of scales and physics, spanning from turbine structural dynamics and blade-scale turbulence to mesoscale atmospheric flow. A single model covering all scales and physics is not feasible. Thus, these simulations will require the coupling of different models/codes, each for different physics, interacting at their domain boundaries.

High-resolution hybrid simulations of turbulence from inertial to sub-proton scales

NASA Astrophysics Data System (ADS)

Franci, Luca; Hellinger, Petr; Landi, Simone; Matteini, Lorenzo; Verdini, Andrea

2015-04-01

We investigate properties of turbulence from MHD scales to ion scales by means of two-dimensional, large-scale, high-resolution hybrid particle-in-cell simulations, which to our knowledge constitute the most accurate hybrid simulations of ion scale turbulence ever presented so far. We impose an initial ambient magnetic field perpendicular to the simulation box, and we add a spectrum of large-scale, linearly polarized Alfvén waves, balanced and Alfvénically equipartitioned, on average. When turbulence is fully developed, we observe an inertial range which is characterized by the power spectrum of perpendicular magnetic field fluctuations following a Kolmogorov law with spectral index close to -5/3, while the proton bulk velocity fluctuations exhibit a less steeper slope with index close to -3/2. Both these trends hold over a full decade. A definite transition is observed at a scale of the order of the proton inertial length, above which both spectra steepen, with the perpendicular magnetic field still exhibiting a power law with spectral index about -3 over another full decade. The spectrum of perpendicular electric fluctuations follows the one of the proton bulk velocity at MHD scales and reaches a sort of plateau at small scales. The turbulent nature of our data is also supported by the presence of intermittency. This is revealed by the non-Gaussianity of the probability distribution functions of MHD primitive variables increasing as approaching kinetic scales. All these features are in good agreement with solar wind observations.

Dynamic Model Investigation of Water Pressures and Accelerations Encountered During Landings of the Apollo Spacecraft

NASA Technical Reports Server (NTRS)

Stubbs, Sandy M.

1967-01-01

An experimental investigation was made to determine impact water pressures, accelerations, and landing dynamics of a 1/4-scale dynamic model of the command module of the Apollo spacecraft. A scaled-stiffness aft heat shield was used on the model to simulate the structural deflections of the full-scale heat shield. Tests were made on water to obtain impact pressure data at a simulated parachute letdown (vertical) velocity component of approximately 30 ft/sec (9.1 m/sec) full scale. Additional tests were made on water, sand, and hard clay-gravel landing surfaces at simulated vertical velocity components of 23 ft/sec (7.0 m/sec) full scale. Horizontal velocity components investigated ranged from 0 to 50 ft/sec (15 m/sec) full scale and the pitch attitudes ranged from -40 degrees to 29 degrees. Roll attitudes were O degrees, 90 degrees, and 180 degrees, and the yaw attitude was 0 degrees.

TURBULENCE AND PROTON–ELECTRON HEATING IN KINETIC PLASMA

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

Matthaeus, William H; Parashar, Tulasi N; Wu, P.

2016-08-10

Analysis of particle-in-cell simulations of kinetic plasma turbulence reveals a connection between the strength of cascade, the total heating rate, and the partitioning of dissipated energy into proton heating and electron heating. A von Karman scaling of the cascade rate explains the total heating across several families of simulations. The proton to electron heating ratio increases in proportion to total heating. We argue that the ratio of gyroperiod to nonlinear turnover time at the ion kinetic scales controls the ratio of proton and electron heating. The proposed scaling is consistent with simulations.

The scaling of relativistic double-year widths - Poisson-Vlasov solutions and particle-in-cell simulations

NASA Technical Reports Server (NTRS)

Sulkanen, Martin E.; Borovsky, Joseph E.

1992-01-01

The study of relativistic plasma double layers is described through the solution of the one-dimensional, unmagnetized, steady-state Poisson-Vlasov equations and by means of one-dimensional, unmagnetized, particle-in-cell simulations. The thickness vs potential-drop scaling law is extended to relativistic potential drops and relativistic plasma temperatures. The transition in the scaling law for 'strong' double layers suggested by analytical two-beam models by Carlqvist (1982) is confirmed, and causality problems of standard double-layer simulation techniques applied to relativistic plasma systems are discussed.

Simulation of Boundary-Layer Cumulus and Stratocumulus Clouds using a Cloud-Resolving Model With Low- and Third-Order Turbulence Closures

NASA Technical Reports Server (NTRS)

Xu, Kuan-Man; Cheng, Anning

2007-01-01

The effects of subgrid-scale condensation and transport become more important as the grid spacings increase from those typically used in large-eddy simulation (LES) to those typically used in cloud-resolving models (CRMs). Incorporation of these effects can be achieved by a joint probability density function approach that utilizes higher-order moments of thermodynamic and dynamic variables. This study examines how well shallow cumulus and stratocumulus clouds are simulated by two versions of a CRM that is implemented with low-order and third-order turbulence closures (LOC and TOC) when a typical CRM horizontal resolution is used and what roles the subgrid-scale and resolved-scale processes play as the horizontal grid spacing of the CRM becomes finer. Cumulus clouds were mostly produced through subgrid-scale transport processes while stratocumulus clouds were produced through both subgrid-scale and resolved-scale processes in the TOC version of the CRM when a typical CRM grid spacing is used. The LOC version of the CRM relied upon resolved-scale circulations to produce both cumulus and stratocumulus clouds, due to small subgrid-scale transports. The mean profiles of thermodynamic variables, cloud fraction and liquid water content exhibit significant differences between the two versions of the CRM, with the TOC results agreeing better with the LES than the LOC results. The characteristics, temporal evolution and mean profiles of shallow cumulus and stratocumulus clouds are weakly dependent upon the horizontal grid spacing used in the TOC CRM. However, the ratio of the subgrid-scale to resolved-scale fluxes becomes smaller as the horizontal grid spacing decreases. The subcloud-layer fluxes are mostly due to the resolved scales when a grid spacing less than or equal to 1 km is used. The overall results of the TOC simulations suggest that a 1-km grid spacing is a good choice for CRM simulation of shallow cumulus and stratocumulus.

Concurrent heterogeneous neural model simulation on real-time neuromimetic hardware.

PubMed

Rast, Alexander; Galluppi, Francesco; Davies, Sergio; Plana, Luis; Patterson, Cameron; Sharp, Thomas; Lester, David; Furber, Steve

2011-11-01

Dedicated hardware is becoming increasingly essential to simulate emerging very-large-scale neural models. Equally, however, it needs to be able to support multiple models of the neural dynamics, possibly operating simultaneously within the same system. This may be necessary either to simulate large models with heterogeneous neural types, or to simplify simulation and analysis of detailed, complex models in a large simulation by isolating the new model to a small subpopulation of a larger overall network. The SpiNNaker neuromimetic chip is a dedicated neural processor able to support such heterogeneous simulations. Implementing these models on-chip uses an integrated library-based tool chain incorporating the emerging PyNN interface that allows a modeller to input a high-level description and use an automated process to generate an on-chip simulation. Simulations using both LIF and Izhikevich models demonstrate the ability of the SpiNNaker system to generate and simulate heterogeneous networks on-chip, while illustrating, through the network-scale effects of wavefront synchronisation and burst gating, methods that can provide effective behavioural abstractions for large-scale hardware modelling. SpiNNaker's asynchronous virtual architecture permits greater scope for model exploration, with scalable levels of functional and temporal abstraction, than conventional (or neuromorphic) computing platforms. The complete system illustrates a potential path to understanding the neural model of computation, by building (and breaking) neural models at various scales, connecting the blocks, then comparing them against the biology: computational cognitive neuroscience. Copyright © 2011 Elsevier Ltd. All rights reserved.

The effect of simulation-based crew resource management training on measurable teamwork and communication among interprofessional teams caring for postoperative patients.

PubMed

Paull, Douglas E; Deleeuw, Lori D; Wolk, Seth; Paige, John T; Neily, Julia; Mills, Peter D

2013-11-01

Many adverse events in health care are caused by teamwork and communication breakdown. This study was conducted to investigate the effect of a point-of-care simulation-based team training curriculum on measurable teamwork and communication skills in staff caring for postoperative patients. Twelve facilities involving 334 perioperative surgical staff underwent simulation-based training. Pretest and posttest self-report data included the Self-Efficacy of Teamwork Competencies Scale. Observational data were captured with the Clinical Teamwork Scale. Teamwork scores (measured on a five-point Likert scale) improved for all eight survey questions by an average of 18% (3.7 to 4.4, p < .05). The observed communication rating (scale of 1 to 10) increased by 16% (5.6 to 6.4, p < .05). Simulation-based team training for staff caring for perioperative patients is associated with measurable improvements in teamwork and communication. Copyright 2013, SLACK Incorporated.

Intermittency, coherent structures and dissipation in plasma turbulence

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

Wan, M.; Matthaeus, W. H.; Parashar, T. N.

Collisionless dissipation in turbulent plasmas such as the solar wind and the solar corona has been an intensively studied subject recently, with new insights often emerging from numerical simulation. Here we report results from high resolution, fully kinetic simulations of plasma turbulence in both two (2D) and three (3D) dimensions, studying the relationship between intermittency and dissipation. The simulations show development of turbulent coherent structures, characterized by sheet-like current density structures spanning a range of scales. An approximate dissipation measure is employed, based on work done by the electromagnetic field in the local electron fluid frame. This surrogate dissipation measuremore » is highly concentrated in small subvolumes in both 2D and 3D simulations. Fully kinetic simulations are also compared with magnetohydrodynamics (MHD) simulations in terms of coherent structures and dissipation. The interesting result emerges that the conditional averages of dissipation measure scale very similarly with normalized current density J in 2D and 3D particle-in-cell and in MHD. To the extent that the surrogate dissipation measure is accurate, this result implies that on average dissipation scales as ∼J{sup 2} in turbulent kinetic plasma. Multifractal intermittency is seen in the inertial range in both 2D and 3D, but at scales ∼ion inertial length, the scaling is closer to monofractal.« less

Detection of overreported psychopathology with the MMPI-2-RF [corrected] validity scales.

PubMed

Sellbom, Martin; Bagby, R Michael

2010-12-01

We examined the utility of the validity scales on the recently released Minnesota Multiphasic Personality Inventory-2 Restructured Form (MMPI-2 RF; Ben-Porath & Tellegen, 2008) to detect overreported psychopathology. This set of validity scales includes a newly developed scale and revised versions of the original MMPI-2 validity scales. We used an analogue, experimental simulation in which MMPI-2 RF responses (derived from archived MMPI-2 protocols) of undergraduate students instructed to overreport psychopathology (in either a coached or noncoached condition) were compared with those of psychiatric inpatients who completed the MMPI-2 under standardized instructions. The MMPI-2 RF validity scale Infrequent Psychopathology Responses best differentiated the simulation groups from the sample of patients, regardless of experimental condition. No other validity scale added consistent incremental predictive utility to Infrequent Psychopathology Responses in distinguishing the simulation groups from the sample of patients. Classification accuracy statistics confirmed the recommended cut scores in the MMPI-2 RF manual (Ben-Porath & Tellegen, 2008).

Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Simulations of the Molecular Crystal alphaRDX

DTIC Science & Technology

2013-08-01

potential for HMX / RDX (3, 9). ...................................................................................8 1 1. Purpose This work...6 dispersion and electrostatic interactions. Constants for the SB potential are given in table 1. 8 Table 1. SB potential for HMX / RDX (3, 9...modeling dislocations in the energetic molecular crystal RDX using the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) molecular

Initialization of high resolution surface wind simulations using NWS gridded data

Treesearch

J. Forthofer; K. Shannon; Bret Butler

2010-01-01

WindNinja is a standalone computer model designed to provide the user with simulations of surface wind flow. It is deterministic and steady state. It is currently being modified to allow the user to initialize the flow calculation using National Digital Forecast Database. It essentially allows the user to downscale the coarse scale simulations from meso-scale models to...

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

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

Dhakal, Tilak Raj

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crackmore » tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.« less

Airframe Icing Research Gaps: NASA Perspective

NASA Technical Reports Server (NTRS)

Potapczuk, Mark

2009-01-01

qCurrent Airframe Icing Technology Gaps: Development of a full 3D ice accretion simulation model. Development of an improved simulation model for SLD conditions. CFD modeling of stall behavior for ice-contaminated wings/tails. Computational methods for simulation of stability and control parameters. Analysis of thermal ice protection system performance. Quantification of 3D ice shape geometric characteristics Development of accurate ground-based simulation of SLD conditions. Development of scaling methods for SLD conditions. Development of advanced diagnostic techniques for assessment of tunnel cloud conditions. Identification of critical ice shapes for aerodynamic performance degradation. Aerodynamic scaling issues associated with testing scale model ice shape geometries. Development of altitude scaling methods for thermal ice protections systems. Development of accurate parameter identification methods. Measurement of stability and control parameters for an ice-contaminated swept wing aircraft. Creation of control law modifications to prevent loss of control during icing encounters. 3D ice shape geometries. Collection efficiency data for ice shape geometries. SLD ice shape data, in-flight and ground-based, for simulation verification. Aerodynamic performance data for 3D geometries and various icing conditions. Stability and control parameter data for iced aircraft configurations. Thermal ice protection system data for simulation validation.

BlazeDEM3D-GPU A Large Scale DEM simulation code for GPUs

NASA Astrophysics Data System (ADS)

Govender, Nicolin; Wilke, Daniel; Pizette, Patrick; Khinast, Johannes

2017-06-01

Accurately predicting the dynamics of particulate materials is of importance to numerous scientific and industrial areas with applications ranging across particle scales from powder flow to ore crushing. Computational discrete element simulations is a viable option to aid in the understanding of particulate dynamics and design of devices such as mixers, silos and ball mills, as laboratory scale tests comes at a significant cost. However, the computational time required to simulate an industrial scale simulation which consists of tens of millions of particles can take months to complete on large CPU clusters, making the Discrete Element Method (DEM) unfeasible for industrial applications. Simulations are therefore typically restricted to tens of thousands of particles with highly detailed particle shapes or a few million of particles with often oversimplified particle shapes. However, a number of applications require accurate representation of the particle shape to capture the macroscopic behaviour of the particulate system. In this paper we give an overview of the recent extensions to the open source GPU based DEM code, BlazeDEM3D-GPU, that can simulate millions of polyhedra and tens of millions of spheres on a desktop computer with a single or multiple GPUs.

RANS Simulation (Virtual Blade Model [VBM]) of Single Lab Scaled DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Stelzenmuller, Nick; Aliseda, Alberto; Seydel, Joseph

2014-04-15

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study the flow field around and in the wake of the lab-scaled DOE RM1 turbine is simulated using Blade Element Model (a.k.a Virtual Blade Model) by solving RANS equations coupled with k-\\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of device and structure of it's turbulent far wake. Due to the simplifications implemented for modeling the rotating blades in this model, VBM is limited to capture details of the flow field in near wake region of the device. The required User Defined Functions (UDFs) and look-up table of lift and drag coefficients are included along with the .cas and .dat files.

Simulations of Sea Level Rise Effects on Complex Coastal Systems

NASA Astrophysics Data System (ADS)

Niedoroda, A. W.; Ye, M.; Saha, B.; Donoghue, J. F.; Reed, C. W.

2009-12-01

It is now established that complex coastal systems with elements such as beaches, inlets, bays, and rivers adjust their morphologies according to time-varying balances in between the processes that control the exchange of sediment. Accelerated sea level rise introduces a major perturbation into the sediment-sharing systems. A modeling framework based on a new SL-PR model which is an advanced version of the aggregate-scale CST Model and the event-scale CMS-2D and CMS-Wave combination have been used to simulate the recent evolution of a portion of the Florida panhandle coast. This combination of models provides a method to evaluate coefficients in the aggregate-scale model that were previously treated as fitted parameters. That is, by carrying out simulations of a complex coastal system with runs of the event-scale model representing more than a year it is now possible to directly relate the coefficients in the large-scale SL-PR model to measureable physical parameters in the current and wave fields. This cross-scale modeling procedure has been used to simulate the shoreline evolution at the Santa Rosa Island, a long barrier which houses significant military infrastructure at the north Gulf Coast. The model has been used to simulate 137 years of measured shoreline change and to extend these to predictions of future rates of shoreline migration.

A Decade-Long European-Scale Convection-Resolving Climate Simulation on GPUs

NASA Astrophysics Data System (ADS)

Leutwyler, D.; Fuhrer, O.; Ban, N.; Lapillonne, X.; Lüthi, D.; Schar, C.

2016-12-01

Convection-resolving models have proven to be very useful tools in numerical weather prediction and in climate research. However, due to their extremely demanding computational requirements, they have so far been limited to short simulations and/or small computational domains. Innovations in the supercomputing domain have led to new supercomputer designs that involve conventional multi-core CPUs and accelerators such as graphics processing units (GPUs). One of the first atmospheric models that has been fully ported to GPUs is the Consortium for Small-Scale Modeling weather and climate model COSMO. This new version allows us to expand the size of the simulation domain to areas spanning continents and the time period up to one decade. We present results from a decade-long, convection-resolving climate simulation over Europe using the GPU-enabled COSMO version on a computational domain with 1536x1536x60 gridpoints. The simulation is driven by the ERA-interim reanalysis. The results illustrate how the approach allows for the representation of interactions between synoptic-scale and meso-scale atmospheric circulations at scales ranging from 1000 to 10 km. We discuss some of the advantages and prospects from using GPUs, and focus on the performance of the convection-resolving modeling approach on the European scale. Specifically we investigate the organization of convective clouds and on validate hourly rainfall distributions with various high-resolution data sets.

Impact of an Aging Simulation Game on Pharmacy Students’ Empathy for Older Adults

PubMed Central

Kiersma, Mary E.; Yehle, Karen S.; Plake, Kimberly S.

2015-01-01

Objective. To evaluate changes in empathy and perceptions as well as game experiences among student pharmacists participating in an aging simulation game. Methods. First-year student pharmacists participated in an aging simulation game. Changes were measured pre/post-activity using the Kiersma-Chen Empathy Scale (KCES) and Jefferson Scale of Empathy – Health Professions Scale (JSE-HPS) for empathy and the Aging Simulation Experience Survey (ASES) for perceptions of older adults’ experiences and game experiences. Wilcoxon signed rank tests were used to determine changes. Results. One hundred fifty-six student pharmacists completed the instruments. Empathy using the KCES and JSE-HPS improved significantly. Of the 13 items in the ASES, 9 significantly improved. Conclusion. Simulation games may help students overcome challenges demonstrating empathy and positive attitudes toward elderly patients. PMID:26396274

Incremental dynamical downscaling for probabilistic analysis based on multiple GCM projections

NASA Astrophysics Data System (ADS)

Wakazuki, Y.

2015-12-01

A dynamical downscaling method for probabilistic regional scale climate change projections was developed to cover an uncertainty of multiple general circulation model (GCM) climate simulations. The climatological increments (future minus present climate states) estimated by GCM simulation results were statistically analyzed using the singular vector decomposition. Both positive and negative perturbations from the ensemble mean with the magnitudes of their standard deviations were extracted and were added to the ensemble mean of the climatological increments. The analyzed multiple modal increments were utilized to create multiple modal lateral boundary conditions for the future climate regional climate model (RCM) simulations by adding to an objective analysis data. This data handling is regarded to be an advanced method of the pseudo-global-warming (PGW) method previously developed by Kimura and Kitoh (2007). The incremental handling for GCM simulations realized approximated probabilistic climate change projections with the smaller number of RCM simulations. Three values of a climatological variable simulated by RCMs for a mode were used to estimate the response to the perturbation of the mode. For the probabilistic analysis, climatological variables of RCMs were assumed to show linear response to the multiple modal perturbations, although the non-linearity was seen for local scale rainfall. Probability of temperature was able to be estimated within two modes perturbation simulations, where the number of RCM simulations for the future climate is five. On the other hand, local scale rainfalls needed four modes simulations, where the number of the RCM simulations is nine. The probabilistic method is expected to be used for regional scale climate change impact assessment in the future.

Regional Simulations of Stratospheric Lofting of Smoke Plumes

NASA Astrophysics Data System (ADS)

Stenchikov, G. L.; Fromm, M.; Robock, A.

2006-12-01

The lifetime and spatial distribution of sooty aerosols from multiple fires that would cause major climate impact were debated in studies of climatic and environmental consequences of a nuclear war in the 1980s. The Kuwait oil fires in 1991 did not show a cumulative effect of multiple smoke plumes on large-scale circulation systems and smoke was mainly dispersed in the middle troposphere. However, recent observations show that smoke from large forest fires can be directly injected into the lower stratosphere by strong pyro-convective storms. Smoke plumes in the upper troposphere can be partially mixed into the lower stratosphere because of the same heating and lofting effect that was simulated in large-scale nuclear winter simulations with interactive aerosols. However nuclear winter simulations were conducted using climate models with grid spacing of more than 100 km, which do not account for the fine-scale dynamic processes. Therefore in this study we conduct fine-scale regional simulations of the aerosol plume using the Regional Atmospheric Modeling System (RAMS) mesoscale model which was modified to account for radiatively interactive tracers. To resolve fine-scale dynamic processes we use horizontal grid spacing of 25 km and 60 vertical layers, and initiate simulations with the NCEP reanalysis fields. We find that dense aerosol layers could be lofted from 1 to a few km per day, but this critically depends on the optical depth of aerosol layer, single scatter albedo, and how fast the plume is being diluted. Kuwaiti plumes from different small-area fires reached only 5-6 km altitude and were probably diffused and diluted in the lower and middle troposphere. A plume of 100 km spatial scale initially developed in the upper troposphere tends to penetrate into the stratosphere. Short-term cloud resolving simulations of such a plume show that aerosol heating intensifies small-scale motions that tend to mix smoke polluted air into the lower stratosphere. Regional simulations allow us to more accurately estimate the rate of lifting and spreading of aerosol clouds. But they do not reveal any dynamic processes that could prevent heating and lofting of absorbing aerosols.

Scaling of counter-current imbibition recovery curves using artificial neural networks

NASA Astrophysics Data System (ADS)

Jafari, Iman; Masihi, Mohsen; Nasiri Zarandi, Masoud

2018-06-01

Scaling imbibition curves are of great importance in the characterization and simulation of oil production from naturally fractured reservoirs. Different parameters such as matrix porosity and permeability, oil and water viscosities, matrix dimensions, and oil/water interfacial tensions have an effective on the imbibition process. Studies on the scaling imbibition curves along with the consideration of different assumptions have resulted in various scaling equations. In this work, using an artificial neural network (ANN) method, a novel technique is presented for scaling imbibition recovery curves, which can be used for scaling the experimental and field-scale imbibition cases. The imbibition recovery curves for training and testing the neural network were gathered through the simulation of different scenarios using a commercial reservoir simulator. In this ANN-based method, six parameters were assumed to have an effect on the imbibition process and were considered as the inputs for training the network. Using the ‘Bayesian regularization’ training algorithm, the network was trained and tested. Training and testing phases showed superior results in comparison with the other scaling methods. It is concluded that using the new technique is useful for scaling imbibition recovery curves, especially for complex cases, for which the common scaling methods are not designed.

Plane-dependent ML scatter scaling: 3D extension of the 2D simulated single scatter (SSS) estimate

NASA Astrophysics Data System (ADS)

Rezaei, Ahmadreza; Salvo, Koen; Vahle, Thomas; Panin, Vladimir; Casey, Michael; Boada, Fernando; Defrise, Michel; Nuyts, Johan

2017-08-01

Scatter correction is typically done using a simulation of the single scatter, which is then scaled to account for multiple scatters and other possible model mismatches. This scaling factor is determined by fitting the simulated scatter sinogram to the measured sinogram, using only counts measured along LORs that do not intersect the patient body, i.e. ‘scatter-tails’. Extending previous work, we propose to scale the scatter with a plane dependent factor, which is determined as an additional unknown in the maximum likelihood (ML) reconstructions, using counts in the entire sinogram rather than only the ‘scatter-tails’. The ML-scaled scatter estimates are validated using a Monte-Carlo simulation of a NEMA-like phantom, a phantom scan with typical contrast ratios of a 68Ga-PSMA scan, and 23 whole-body 18F-FDG patient scans. On average, we observe a 12.2% change in the total amount of tracer activity of the MLEM reconstructions of our whole-body patient database when the proposed ML scatter scales are used. Furthermore, reconstructions using the ML-scaled scatter estimates are found to eliminate the typical ‘halo’ artifacts that are often observed in the vicinity of high focal uptake regions.

Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

NASA Astrophysics Data System (ADS)

Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.

2016-12-01

Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between scales and inter-compared. Comparisons are drawn in terms of velocity distributions, solute transport behavior, algorithm-induced numerical error and computing cost. The intercomparison work provides support for confidence in a variety of hybrid multiscale methods and motivates further development and applications.

What Works Clearinghouse Quick Review: "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions"

ERIC Educational Resources Information Center

What Works Clearinghouse, 2014

2014-01-01

This study examined how using two different ways of displaying the solar system--a true-to-scale mode vs. an orrery mode--affected students' knowledge of astronomical concepts. Solar system displays were presented in a software application on a handheld tablet computer. In the true-to-scale mode, users navigated a simulated three-dimensional solar…

Hardware in the Loop at Megawatt-Scale Power | Energy Systems Integration

Science.gov Websites

Facility | NREL Hardware in the Loop at Megawatt-Scale Power Hardware in the Loop at Megawatt -Scale Power Hardware-in-the-loop simulation is not new, but the Energy System Integration Facility's -in-the-loop co-simulation. For more information, read the power hardware-in-the-loop factsheet. Text

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

DOE PAGES

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James; ...

2017-09-21

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

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

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows

NASA Astrophysics Data System (ADS)

Silvis, Maurits H.; Bae, Hyunji Jane; Trias, F. Xavier; Abkar, Mahdi; Moin, Parviz; Verstappen, Roel

2017-11-01

We aim to design subgrid-scale models for large-eddy simulation of rotating turbulent flows. Rotating turbulent flows form a challenging test case for large-eddy simulation due to the presence of the Coriolis force. The Coriolis force conserves the total kinetic energy while transporting it from small to large scales of motion, leading to the formation of large-scale anisotropic flow structures. The Coriolis force may also cause partial flow laminarization and the occurrence of turbulent bursts. Many subgrid-scale models for large-eddy simulation are, however, primarily designed to parametrize the dissipative nature of turbulent flows, ignoring the specific characteristics of transport processes. We, therefore, propose a new subgrid-scale model that, in addition to the usual dissipative eddy viscosity term, contains a nondissipative nonlinear model term designed to capture transport processes, such as those due to rotation. We show that the addition of this nonlinear model term leads to improved predictions of the energy spectra of rotating homogeneous isotropic turbulence as well as of the Reynolds stress anisotropy in spanwise-rotating plane-channel flows. This work is financed by the Netherlands Organisation for Scientific Research (NWO) under Project Number 613.001.212.

Interactive, graphical processing unitbased evaluation of evacuation scenarios at the state scale

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

Perumalla, Kalyan S; Aaby, Brandon G; Yoginath, Srikanth B

2011-01-01

In large-scale scenarios, transportation modeling and simulation is severely constrained by simulation time. For example, few real- time simulators scale to evacuation traffic scenarios at the level of an entire state, such as Louisiana (approximately 1 million links) or Florida (2.5 million links). New simulation approaches are needed to overcome severe computational demands of conventional (microscopic or mesoscopic) modeling techniques. Here, a new modeling and execution methodology is explored that holds the potential to provide a tradeoff among the level of behavioral detail, the scale of transportation network, and real-time execution capabilities. A novel, field-based modeling technique and its implementationmore » on graphical processing units are presented. Although additional research with input from domain experts is needed for refining and validating the models, the techniques reported here afford interactive experience at very large scales of multi-million road segments. Illustrative experiments on a few state-scale net- works are described based on an implementation of this approach in a software system called GARFIELD. Current modeling cap- abilities and implementation limitations are described, along with possible use cases and future research.« less

LOLA Project Artists

NASA Image and Video Library

1965-08-10

Artists used paintbrushes and airbrushes to recreate the lunar surface on each of the four models comprising the LOLA simulator. Project LOLA or Lunar Orbit and Landing Approach was a simulator built at Langley to study problems related to landing on the lunar surface. It was a complex project that cost nearly 2 million dollars. James Hansen wrote: This simulator was designed to provide a pilot with a detailed visual encounter with the lunar surface the machine consisted primarily of a cockpit, a closed-circuit TV system, and four large murals or scale models representing portions of the lunar surface as seen from various altitudes. The pilot in the cockpit moved along a track past these murals which would accustom him to the visual cues for controlling a spacecraft in the vicinity of the moon. Unfortunately, such a simulation--although great fun and quite aesthetic--was not helpful because flight in lunar orbit posed no special problems other than the rendezvous with the LEM, which the device did not simulate. Not long after the end of Apollo, the expensive machine was dismantled. (p. 379) Ellis J. White described the simulator as follows: Model 1 is a 20-foot-diameter sphere mounted on a rotating base and is scaled 1 in. 9 miles. Models 2,3, and 4 are approximately 15x40 feet scaled sections of model 1. Model 4 is a scaled-up section of the Crater Alphonsus and the scale is 1 in. 200 feet. All models are in full relief except the sphere. -- Published in James R. Hansen, Spaceflight Revolution: NASA Langley Research Center From Sputnik to Apollo, (Washington: NASA, 1995), p. 379 Ellis J. White, Discussion of Three Typical Langley Research Center Simulation Programs, Paper presented at the Eastern Simulation Council (EAI s Princeton Computation Center), Princeton, NJ, October 20, 1966.

LOLA Project

NASA Image and Video Library

1964-10-28

Artists used paintbrushes and airbrushes to recreate the lunar surface on each of the four models comprising the LOLA simulator. Project LOLA or Lunar Orbit and Landing Approach was a simulator built at Langley to study problems related to landing on the lunar surface. It was a complex project that cost nearly $2 million dollars. James Hansen wrote: "This simulator was designed to provide a pilot with a detailed visual encounter with the lunar surface; the machine consisted primarily of a cockpit, a closed-circuit TV system, and four large murals or scale models representing portions of the lunar surface as seen from various altitudes. The pilot in the cockpit moved along a track past these murals which would accustom him to the visual cues for controlling a spacecraft in the vicinity of the moon. Unfortunately, such a simulation--although great fun and quite aesthetic--was not helpful because flight in lunar orbit posed no special problems other than the rendezvous with the LEM, which the device did not simulate. Not long after the end of Apollo, the expensive machine was dismantled." (p. 379) Ellis J. White further described LOLA in his paper "Discussion of Three Typical Langley Research Center Simulation Programs," "Model 1 is a 20-foot-diameter sphere mounted on a rotating base and is scaled 1 in. = 9 miles. Models 2,3, and 4 are approximately 15x40 feet scaled sections of model 1. Model 4 is a scaled-up section of the Crater Alphonsus and the scale is 1 in. = 200 feet. All models are in full relief except the sphere." -- Published in James R. Hansen, Spaceflight Revolution, NASA SP-4308, p. 379; Ellis J. White, "Discussion of Three Typical Langley Research Center Simulation Programs," Paper presented at the Eastern Simulation Council (EAI's Princeton Computation Center), Princeton, NJ, October 20, 1966.

Impacts of spatial resolution and representation of flow connectivity on large-scale simulation of floods

NASA Astrophysics Data System (ADS)

Mateo, Cherry May R.; Yamazaki, Dai; Kim, Hyungjun; Champathong, Adisorn; Vaze, Jai; Oki, Taikan

2017-10-01

Global-scale river models (GRMs) are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction, the suitability of GRMs for application to finer resolutions needs to be assessed. This study investigates the impacts of spatial resolution and flow connectivity representation on the predictive capability of a GRM, CaMa-Flood, in simulating the 2011 extreme flood in Thailand. Analyses show that when single downstream connectivity (SDC) is assumed, simulation results deteriorate with finer spatial resolution; Nash-Sutcliffe efficiency coefficients decreased by more than 50 % between simulation results at 10 km resolution and 1 km resolution. When multiple downstream connectivity (MDC) is represented, simulation results slightly improve with finer spatial resolution. The SDC simulations result in excessive backflows on very flat floodplains due to the restrictive flow directions at finer resolutions. MDC channels attenuated these effects by maintaining flow connectivity and flow capacity between floodplains in varying spatial resolutions. While a regional-scale flood was chosen as a test case, these findings should be universal and may have significant impacts on large- to global-scale simulations, especially in regions where mega deltas exist.These results demonstrate that a GRM can be used for higher resolution simulations of large-scale floods, provided that MDC in rivers and floodplains is adequately represented in the model structure.

Large Scale Simulation Platform for NODES Validation Study

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

Sotorrio, P.; Qin, Y.; Min, L.

2017-04-27

This report summarizes the Large Scale (LS) simulation platform created for the Eaton NODES project. The simulation environment consists of both wholesale market simulator and distribution simulator and includes the CAISO wholesale market model and a PG&E footprint of 25-75 feeders to validate the scalability under a scenario of 33% RPS in California with additional 17% of DERS coming from distribution and customers. The simulator can generate hourly unit commitment, 5-minute economic dispatch, and 4-second AGC regulation signals. The simulator is also capable of simulating greater than 10k individual controllable devices. Simulated DERs include water heaters, EVs, residential and lightmore » commercial HVAC/buildings, and residential-level battery storage. Feeder-level voltage regulators and capacitor banks are also simulated for feeder-level real and reactive power management and Vol/Var control.« less

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, David; Agarwal, Deborah A.; Sun, Xin

2011-09-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, D.; Agarwal, D.; Sun, X.

2011-01-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

Modification of Obstetric Emergency Simulation Scenarios for Realism in a Home-Birth Setting.

PubMed

Komorowski, Janelle; Andrighetti, Tia; Benton, Melissa

2017-01-01

Clinical competency and clear communication are essential for intrapartum care providers who encounter high-stakes, low-frequency emergencies. The challenge for these providers is to maintain infrequently used skills. The challenge is even more significant for midwives who manage births at home and who, due to low practice volume and low-risk clientele, may rarely encounter an emergency. In addition, access to team simulation may be limited for home-birth midwives. This project modified existing validated obstetric simulation scenarios for a home-birth setting. Twelve certified professional midwives (CPMs) in active home-birth practice participated in shoulder dystocia and postpartum hemorrhage simulations. The simulations were staged to resemble home-birth settings, supplies, and personnel. Fidelity (realism) of the simulations was assessed with the Simulation Design Scale, and satisfaction and self-confidence were assessed with the Student Satisfaction and Self-Confidence in Learning Scale. Both utilized a 5-point Likert scale, with higher scores suggesting greater levels of fidelity, participant satisfaction, and self-confidence. Simulation Design Scale scores indicated participants agreed fidelity was achieved for the home-birth setting, while scores on the Student Satisfaction and Self-Confidence in Learning indicated high levels of participant satisfaction and self-confidence. If offered without modification, simulation scenarios designed for use in hospitals may lose fidelity for home-birth midwives, particularly in the environmental and psychological components. Simulation is standard of care in most settings, an excellent vehicle for maintaining skills, and some evidence suggests it results in improved perinatal outcomes. Additional study is needed in this area to support home-birth providers in maintaining skills. This pilot study suggests that simulation scenarios intended for hospital use can be successfully adapted to the home-birth setting. © 2016 by the American College of Nurse-Midwives.

Small scale rainfall simulators: Challenges for a future use in soil erosion research

NASA Astrophysics Data System (ADS)

Ries, Johannes B.; Iserloh, Thomas; Seeger, Manuel

2013-04-01

Rainfall simulation on micro-plot scale is a method used worldwide to assess the generation of overland flow, soil erosion, infiltration and interrelated processes such as soil sealing, crusting, splash and redistribution of solids and solutes. The produced data are of great significance not only for the analysis of the simulated processes, but also as a source of input-data for soil erosion modelling. The reliability of the data is therefore of paramount importance, and quality management of rainfall simulation procedure a general responsibility of the rainfall simulation community. This was an accepted outcome at the "International Rainfall Simulator Workshop 2011" at Trier University. The challenges of the present and near future use of small scale rainfall simulations concern the comparability of results and scales, the quality of the data for soil erosion modelling, and further technical developments to overcome physical limitations and constraints. Regarding the high number of research questions, different fields of application, and due to the great technical creativity of researchers, a large number of different types of rainfall simulators is available. But each of the devices produces a different rainfall, leading to different kinetic energy values influencing soil surface and erosion processes. Plot sizes are also variable, as well as the experimental simulation procedures. As a consequence, differing runoff and erosion results are produced. The presentation summarises the three important aspects of rainfall simulations, following a processual order: 1. Input-factor "rain" and its calibration 2. Surface-factor "plot" and its documentation 3. Output-factors "runoff" and "sediment concentration" Finally, general considerations about the limitations and challenges for further developments and applications of rainfall simulation data are presented.

Elimination of the Reaction Rate "Scale Effect": Application of the Lagrangian Reactive Particle-Tracking Method to Simulate Mixing-Limited, Field-Scale Biodegradation at the Schoolcraft (MI, USA) Site

NASA Astrophysics Data System (ADS)

Ding, Dong; Benson, David A.; Fernández-Garcia, Daniel; Henri, Christopher V.; Hyndman, David W.; Phanikumar, Mantha S.; Bolster, Diogo

2017-12-01

Measured (or empirically fitted) reaction rates at groundwater remediation sites are typically much lower than those found in the same material at the batch or laboratory scale. The reduced rates are commonly attributed to poorer mixing at the larger scales. A variety of methods have been proposed to account for this scaling effect in reactive transport. In this study, we use the Lagrangian particle-tracking and reaction (PTR) method to simulate a field bioremediation experiment at the Schoolcraft, MI site. A denitrifying bacterium, Pseudomonas Stutzeri strain KC (KC), was injected to the aquifer, along with sufficient substrate, to degrade the contaminant, carbon tetrachloride (CT), under anaerobic conditions. The PTR method simulates chemical reactions through probabilistic rules of particle collisions, interactions, and transformations to address the scale effect (lower apparent reaction rates for each level of upscaling, from batch to column to field scale). In contrast to a prior Eulerian reaction model, the PTR method is able to match the field-scale experiment using the rate coefficients obtained from batch experiments.

Space Simulation, 7th. [facilities and testing techniques

NASA Technical Reports Server (NTRS)

1973-01-01

Space simulation facilities and techniques are outlined that encompass thermal scale modeling, computerized simulations, reentry materials, spacecraft contamination, solar simulation, vacuum tests, and heat transfer studies.

Simulations of turbulent rotating flows using a subfilter scale stress model derived from the partially integrated transport modeling method

NASA Astrophysics Data System (ADS)

Chaouat, Bruno

2012-04-01

The partially integrated transport modeling (PITM) method [B. Chaouat and R. Schiestel, "A new partially integrated transport model for subgrid-scale stresses and dissipation rate for turbulent developing flows," Phys. Fluids 17, 065106 (2005), 10.1063/1.1928607; R. Schiestel and A. Dejoan, "Towards a new partially integrated transport model for coarse grid and unsteady turbulent flow simulations," Theor. Comput. Fluid Dyn. 18, 443 (2005), 10.1007/s00162-004-0155-z; B. Chaouat and R. Schiestel, "From single-scale turbulence models to multiple-scale and subgridscale models by Fourier transform," Theor. Comput. Fluid Dyn. 21, 201 (2007), 10.1007/s00162-007-0044-3; B. Chaouat and R. Schiestel, "Progress in subgrid-scale transport modelling for continuous hybrid non-zonal RANS/LES simulations," Int. J. Heat Fluid Flow 30, 602 (2009), 10.1016/j.ijheatfluidflow.2009.02.021] viewed as a continuous approach for hybrid RANS/LES (Reynolds averaged Navier-Stoke equations/large eddy simulations) simulations with seamless coupling between RANS and LES regions is used to derive a subfilter scale stress model in the framework of second-moment closure applicable in a rotating frame of reference. This present subfilter scale model is based on the transport equations for the subfilter stresses and the dissipation rate and appears well appropriate for simulating unsteady flows on relatively coarse grids or flows with strong departure from spectral equilibrium because the cutoff wave number can be located almost anywhere inside the spectrum energy. According to the spectral theory developed in the wave number space [B. Chaouat and R. Schiestel, "From single-scale turbulence models to multiple-scale and subgrid-scale models by Fourier transform," Theor. Comput. Fluid Dyn. 21, 201 (2007), 10.1007/s00162-007-0044-3], the coefficients used in this model are no longer constants but they are some analytical functions of a dimensionless parameter controlling the spectral distribution of turbulence. The pressure-strain correlation term encompassed in this model is inspired from the nonlinear SSG model [C. G. Speziale, S. Sarkar, and T. B. Gatski, "Modelling the pressure-strain correlation of turbulence: an invariant dynamical systems approach," J. Fluid Mech. 227, 245 (1991), 10.1017/S0022112091000101] developed initially for homogeneous rotating flows in RANS methodology. It is modeled in system rotation using the principle of objectivity. Its modeling is especially extended in a low Reynolds number version for handling non-homogeneous wall flows. The present subfilter scale stress model is then used for simulating large scales of rotating turbulent flows on coarse and medium grids at moderate, medium, and high rotation rates. It is also applied to perform a simulation on a refined grid at the highest rotation rate. As a result, it is found that the PITM simulations reproduce fairly well the mean features of rotating channel flows allowing a drastic reduction of the computational cost in comparison with the one required for performing highly resolved LES. Overall, the mean velocities and turbulent stresses are found to be in good agreement with the data of highly resolved LES [E. Lamballais, O. Metais, and M. Lesieur, "Spectral-dynamic model for large-eddy simulations of turbulent rotating flow," Theor. Comput. Fluid Dyn. 12, 149 (1998)]. The anisotropy character of the flow resulting from the rotation effects is also well reproduced in accordance with the reference data. Moreover, the PITM2 simulations performed on the medium grid predict qualitatively well the three-dimensional flow structures as well as the longitudinal roll cells which appear in the anticyclonic wall-region of the rotating flows. As expected, the PITM3 simulation performed on the refined grid reverts to highly resolved LES. The present model based on a rational formulation appears to be an interesting candidate for tackling a large variety of engineering flows subjected to rotation.

A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics

NASA Astrophysics Data System (ADS)

Byun, Hye Suk; El-Naggar, Mohamed Y.; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

2017-10-01

Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inversely proportional to the simulated system size. A promising approach to resolving this issue is the synchronous parallel KMC (SPKMC) algorithm, which makes the time scale size-independent. This paper introduces a formal derivation of the SPKMC algorithm based on local transition-state and time-dependent Hartree approximations, as well as its scalable parallel implementation based on a dual linked-list cell method. The resulting algorithm has achieved a weak-scaling parallel efficiency of 0.935 on 1024 Intel Xeon processors for simulating biological electron transfer dynamics in a 4.2 billion-heme system, as well as decent strong-scaling parallel efficiency. The parallel code has been used to simulate a lattice of cytochrome complexes on a bacterial-membrane nanowire, and it is broadly applicable to other problems such as computational synthesis of new materials.

Propulsion simulator for magnetically-suspended wind tunnel models

NASA Technical Reports Server (NTRS)

Joshi, P. B.; Malonson, M. R.; Sacco, G. P.; Goldey, C. L.; Garbutt, Keith; Goodyer, M.

1992-01-01

In order to demonstrate the measurement of aerodynamic forces/moments, including the effects of exhaust jets in Magnetic Suspension and Balance System (MSBS) wind tunnels, two propulsion simulator models were developed at Physical Sciences Inc. (PSI). Both the small-scale model (1 in. diameter X 8 in. long) and the large-scale model (2.5 in. diameter X 15 in. long) employed compressed, liquefied carbon dioxide as a propellant. The small-scale simulator, made from a highly magnetizable iron alloy, was demonstrated in the 7 in. MSBS wind tunnel at the University of Southampton. It developed a maximum thrust of approximate 1.3 lbf with a 0.098 in. diameter nozzle and 0.7 lbf with a 0.295 in. diameter nozzle. The Southampton MSBS was able to control the simulator at angles-of attack up to 20 deg. The large-scale simulator was demonstrated to operate in both a steady-state and a pulse mode via a miniaturized solinoid valve. It developed a stable and repeatable thrust of 2.75 lbf over a period of 4s and a nozzle pressure ratio (NPR) of 5.

Simulating the Response of a Composite Honeycomb Energy Absorber. Part 2; Full-Scale Impact Testing

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Annett, Martin S.; Jackson, Karen E.; Polanco, Michael A.

2012-01-01

NASA has sponsored research to evaluate an externally deployable composite honeycomb designed to attenuate loads in the event of a helicopter crash. The concept, designated the Deployable Energy Absorber (DEA), is an expandable Kevlar(Registered TradeMark) honeycomb. The DEA has a flexible hinge that allows the honeycomb to be stowed collapsed until needed during an emergency. Evaluation of the DEA began with material characterization of the Kevlar(Registered TradeMark)-129 fabric/epoxy, and ended with a full-scale crash test of a retrofitted MD-500 helicopter. During each evaluation phase, finite element models of the test articles were developed and simulations were performed using the dynamic finite element code, LS-DYNA(Registered TradeMark). The paper will focus on simulations of two full-scale impact tests involving the DEA, a mass-simulator and a full-scale crash of an instrumented MD-500 helicopter. Isotropic (MAT24) and composite (MAT58) material models, which were assigned to DEA shell elements, were compared. Based on simulations results, the MAT58 model showed better agreement with test.

Predictive Model for Particle Residence Time Distributions in Riser Reactors. Part 1: Model Development and Validation

DOE PAGES

Foust, Thomas D.; Ziegler, Jack L.; Pannala, Sreekanth; ...

2017-02-28

Here in this computational study, we model the mixing of biomass pyrolysis vapor with solid catalyst in circulating riser reactors with a focus on the determination of solid catalyst residence time distributions (RTDs). A comprehensive set of 2D and 3D simulations were conducted for a pilot-scale riser using the Eulerian-Eulerian two-fluid modeling framework with and without sub-grid-scale models for the gas-solids interaction. A validation test case was also simulated and compared to experiments, showing agreement in the pressure gradient and RTD mean and spread. For simulation cases, it was found that for accurate RTD prediction, the Johnson and Jackson partialmore » slip solids boundary condition was required for all models and a sub-grid model is useful so that ultra high resolutions grids that are very computationally intensive are not required. Finally, we discovered a 2/3 scaling relation for the RTD mean and spread when comparing resolved 2D simulations to validated unresolved 3D sub-grid-scale model simulations.« less

Performance of distributed multiscale simulations

PubMed Central

Borgdorff, J.; Ben Belgacem, M.; Bona-Casas, C.; Fazendeiro, L.; Groen, D.; Hoenen, O.; Mizeranschi, A.; Suter, J. L.; Coster, D.; Coveney, P. V.; Dubitzky, W.; Hoekstra, A. G.; Strand, P.; Chopard, B.

2014-01-01

Multiscale simulations model phenomena across natural scales using monolithic or component-based code, running on local or distributed resources. In this work, we investigate the performance of distributed multiscale computing of component-based models, guided by six multiscale applications with different characteristics and from several disciplines. Three modes of distributed multiscale computing are identified: supplementing local dependencies with large-scale resources, load distribution over multiple resources, and load balancing of small- and large-scale resources. We find that the first mode has the apparent benefit of increasing simulation speed, and the second mode can increase simulation speed if local resources are limited. Depending on resource reservation and model coupling topology, the third mode may result in a reduction of resource consumption. PMID:24982258

A new scaling approach for the mesoscale simulation of magnetic domain structures using Monte Carlo simulations

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

Radhakrishnan, B.; Eisenbach, M.; Burress, Timothy A.

2017-01-24

A new scaling approach has been proposed for the spin exchange and the dipole–dipole interaction energy as a function of the system size. The computed scaling laws are used in atomistic Monte Carlo simulations of magnetic moment evolution to predict the transition from single domain to a vortex structure as the system size increases. The width of a 180° – domain wall extracted from the simulated structures is in close agreement with experimentally values for an F–Si alloy. In conclusion, the transition size from a single domain to a vortex structure is also in close agreement with theoretically predicted andmore » experimentally measured values for Fe.« less

Large-scale derived flood frequency analysis based on continuous simulation

NASA Astrophysics Data System (ADS)

Dung Nguyen, Viet; Hundecha, Yeshewatesfa; Guse, Björn; Vorogushyn, Sergiy; Merz, Bruno

2016-04-01

There is an increasing need for spatially consistent flood risk assessments at the regional scale (several 100.000 km2), in particular in the insurance industry and for national risk reduction strategies. However, most large-scale flood risk assessments are composed of smaller-scale assessments and show spatial inconsistencies. To overcome this deficit, a large-scale flood model composed of a weather generator and catchments models was developed reflecting the spatially inherent heterogeneity. The weather generator is a multisite and multivariate stochastic model capable of generating synthetic meteorological fields (precipitation, temperature, etc.) at daily resolution for the regional scale. These fields respect the observed autocorrelation, spatial correlation and co-variance between the variables. They are used as input into catchment models. A long-term simulation of this combined system enables to derive very long discharge series at many catchment locations serving as a basic for spatially consistent flood risk estimates at the regional scale. This combined model was set up and validated for major river catchments in Germany. The weather generator was trained by 53-year observation data at 528 stations covering not only the complete Germany but also parts of France, Switzerland, Czech Republic and Australia with the aggregated spatial scale of 443,931 km2. 10.000 years of daily meteorological fields for the study area were generated. Likewise, rainfall-runoff simulations with SWIM were performed for the entire Elbe, Rhine, Weser, Donau and Ems catchments. The validation results illustrate a good performance of the combined system, as the simulated flood magnitudes and frequencies agree well with the observed flood data. Based on continuous simulation this model chain is then used to estimate flood quantiles for the whole Germany including upstream headwater catchments in neighbouring countries. This continuous large scale approach overcomes the several drawbacks reported in traditional approaches for the derived flood frequency analysis and therefore is recommended for large scale flood risk case studies.

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-08-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River Basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow-paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW simulation environment, and the PEST tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop log-normally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow-paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

Biodegradation modelling of a dissolved gasoline plume applying independent laboratory and field parameters

NASA Astrophysics Data System (ADS)

Schirmer, Mario; Molson, John W.; Frind, Emil O.; Barker, James F.

2000-12-01

Biodegradation of organic contaminants in groundwater is a microscale process which is often observed on scales of 100s of metres or larger. Unfortunately, there are no known equivalent parameters for characterizing the biodegradation process at the macroscale as there are, for example, in the case of hydrodynamic dispersion. Zero- and first-order degradation rates estimated at the laboratory scale by model fitting generally overpredict the rate of biodegradation when applied to the field scale because limited electron acceptor availability and microbial growth are not considered. On the other hand, field-estimated zero- and first-order rates are often not suitable for predicting plume development because they may oversimplify or neglect several key field scale processes, phenomena and characteristics. This study uses the numerical model BIO3D to link the laboratory and field scales by applying laboratory-derived Monod kinetic degradation parameters to simulate a dissolved gasoline field experiment at the Canadian Forces Base (CFB) Borden. All input parameters were derived from independent laboratory and field measurements or taken from the literature a priori to the simulations. The simulated results match the experimental results reasonably well without model calibration. A sensitivity analysis on the most uncertain input parameters showed only a minor influence on the simulation results. Furthermore, it is shown that the flow field, the amount of electron acceptor (oxygen) available, and the Monod kinetic parameters have a significant influence on the simulated results. It is concluded that laboratory-derived Monod kinetic parameters can adequately describe field scale degradation, provided all controlling factors are incorporated in the field scale model. These factors include advective-dispersive transport of multiple contaminants and electron acceptors and large-scale spatial heterogeneities.

Introducing CGOLS: The Cholla Galactic Outflow Simulation Suite

NASA Astrophysics Data System (ADS)

Schneider, Evan E.; Robertson, Brant E.

2018-06-01

We present the Cholla Galactic OutfLow Simulations (CGOLS) suite, a set of extremely high resolution global simulations of isolated disk galaxies designed to clarify the nature of multiphase structure in galactic winds. Using the GPU-based code Cholla, we achieve unprecedented resolution in these simulations, modeling galaxies over a 20 kpc region at a constant resolution of 5 pc. The simulations include a feedback model designed to test the effects of different mass- and energy-loading factors on galactic outflows over kiloparsec scales. In addition to describing the simulation methodology in detail, we also present the results from an adiabatic simulation that tests the frequently adopted analytic galactic wind model of Chevalier & Clegg. Our results indicate that the Chevalier & Clegg model is a good fit to nuclear starburst winds in the nonradiative region of parameter space. Finally, we investigate the role of resolution and convergence in large-scale simulations of multiphase galactic winds. While our largest-scale simulations show convergence of observable features like soft X-ray emission, our tests demonstrate that simulations of this kind with resolutions greater than 10 pc are not yet converged, confirming the need for extreme resolution in order to study the structure of winds and their effects on the circumgalactic medium.

Progress in fast, accurate multi-scale climate simulations

DOE PAGES

Collins, W. D.; Johansen, H.; Evans, K. J.; ...

2015-06-01

We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enablingmore » improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.« less

IslandFAST: A Semi-numerical Tool for Simulating the Late Epoch of Reionization

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

Xu, Yidong; Chen, Xuelei; Yue, Bin

2017-08-01

We present the algorithm and main results of our semi-numerical simulation, islandFAST, which was developed from 21cmFAST and designed for the late stage of reionization. The islandFAST simulation predicts the evolution and size distribution of the large-scale underdense neutral regions (neutral islands), and we find that the late Epoch of Reionization proceeds very fast, showing a characteristic scale of the neutral islands at each redshift. Using islandFAST, we compare the impact of two types of absorption systems, i.e., the large-scale underdense neutral islands versus small-scale overdense absorbers, in regulating the reionization process. The neutral islands dominate the morphology of themore » ionization field, while the small-scale absorbers dominate the mean-free path of ionizing photons, and also delay and prolong the reionization process. With our semi-numerical simulation, the evolution of the ionizing background can be derived self-consistently given a model for the small absorbers. The hydrogen ionization rate of the ionizing background is reduced by an order of magnitude in the presence of dense absorbers.« less

Tropospheric transport differences between models using the same large-scale meteorological fields

NASA Astrophysics Data System (ADS)

Orbe, Clara; Waugh, Darryn W.; Yang, Huang; Lamarque, Jean-Francois; Tilmes, Simone; Kinnison, Douglas E.

2017-01-01

The transport of chemicals is a major uncertainty in the modeling of tropospheric composition. A common approach is to transport gases using the winds from meteorological analyses, either using them directly in a chemical transport model or by constraining the flow in a general circulation model. Here we compare the transport of idealized tracers in several different models that use the same meteorological fields taken from Modern-Era Retrospective analysis for Research and Applications (MERRA). We show that, even though the models use the same meteorological fields, there are substantial differences in their global-scale tropospheric transport related to large differences in parameterized convection between the simulations. Furthermore, we find that the transport differences between simulations constrained with the same-large scale flow are larger than differences between free-running simulations, which have differing large-scale flow but much more similar convective mass fluxes. Our results indicate that more attention needs to be paid to convective parameterizations in order to understand large-scale tropospheric transport in models, particularly in simulations constrained with analyzed winds.

Characteristics of Tornado-Like Vortices Simulated in a Large-Scale Ward-Type Simulator

NASA Astrophysics Data System (ADS)

Tang, Zhuo; Feng, Changda; Wu, Liang; Zuo, Delong; James, Darryl L.

2018-02-01

Tornado-like vortices are simulated in a large-scale Ward-type simulator to further advance the understanding of such flows, and to facilitate future studies of tornado wind loading on structures. Measurements of the velocity fields near the simulator floor and the resulting floor surface pressures are interpreted to reveal the mean and fluctuating characteristics of the flow as well as the characteristics of the static-pressure deficit. We focus on the manner in which the swirl ratio and the radial Reynolds number affect these characteristics. The transition of the tornado-like flow from a single-celled vortex to a dual-celled vortex with increasing swirl ratio and the impact of this transition on the flow field and the surface-pressure deficit are closely examined. The mean characteristics of the surface-pressure deficit caused by tornado-like vortices simulated at a number of swirl ratios compare well with the corresponding characteristics recorded during full-scale tornadoes.

The free jet as a simulator of forward velocity effects on jet noise

NASA Technical Reports Server (NTRS)

Ahuja, K. K.; Tester, B. J.; Tanna, H. K.

1978-01-01

A thorough theoretical and experimental study of the effects of the free-jet shear layer on the transmission of sound from a model jet placed within the free jet to the far-field receiver located outside the free-jet flow was conducted. The validity and accuracy of the free-jet flight simulation technique for forward velocity effects on jet noise was evaluated. Transformation charts and a systematic computational procedure for converting measurements from a free-jet simulation to the corresponding results from a wind-tunnel simulation, and, finally, to the flight case were provided. The effects of simulated forward flight on jet mixing noise, internal noise and shock-associated noise from model-scale unheated and heated jets were established experimentally in a free-jet facility. It was illustrated that the existing anomalies between full-scale flight data and model-scale flight simulation data projected to the flight case, could well be due to the contamination of flight data by engine internal noise.

An efficient and reliable predictive method for fluidized bed simulation

DOE PAGES

Lu, Liqiang; Benyahia, Sofiane; Li, Tingwen

2017-06-13

In past decades, the continuum approach was the only practical technique to simulate large-scale fluidized bed reactors because discrete approaches suffer from the cost of tracking huge numbers of particles and their collisions. This study significantly improved the computation speed of discrete particle methods in two steps: First, the time-driven hard-sphere (TDHS) algorithm with a larger time-step is proposed allowing a speedup of 20-60 times; second, the number of tracked particles is reduced by adopting the coarse-graining technique gaining an additional 2-3 orders of magnitude speedup of the simulations. A new velocity correction term was introduced and validated in TDHSmore » to solve the over-packing issue in dense granular flow. The TDHS was then coupled with the coarse-graining technique to simulate a pilot-scale riser. The simulation results compared well with experiment data and proved that this new approach can be used for efficient and reliable simulations of large-scale fluidized bed systems.« less

An efficient and reliable predictive method for fluidized bed simulation

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

Lu, Liqiang; Benyahia, Sofiane; Li, Tingwen

2017-06-29

In past decades, the continuum approach was the only practical technique to simulate large-scale fluidized bed reactors because discrete approaches suffer from the cost of tracking huge numbers of particles and their collisions. This study significantly improved the computation speed of discrete particle methods in two steps: First, the time-driven hard-sphere (TDHS) algorithm with a larger time-step is proposed allowing a speedup of 20-60 times; second, the number of tracked particles is reduced by adopting the coarse-graining technique gaining an additional 2-3 orders of magnitude speedup of the simulations. A new velocity correction term was introduced and validated in TDHSmore » to solve the over-packing issue in dense granular flow. The TDHS was then coupled with the coarse-graining technique to simulate a pilot-scale riser. The simulation results compared well with experiment data and proved that this new approach can be used for efficient and reliable simulations of large-scale fluidized bed systems.« less

Testing the role of bedforms as controls on the morphodynamics of sandy braided rivers with CFD

NASA Astrophysics Data System (ADS)

Unsworth, C. A.; Nicholas, A. P.; Ashworth, P. J.; Best, J.; Lane, S. N.; Parsons, D. R.; Sambrook Smith, G.; Simpson, C.; Strick, R. J. P.

2017-12-01

Sand-bed rivers are characterised by multiple scales of topography (e.g., channels, bars and bedforms). Small scale topographic features (e.g., dunes) exert a significant influence on coherent flow structures and sediment transport processes, over distances that scale with channel depth. However, the extent to which such dune-scale effects control larger, channel and bar-scale morphology and morphodynamics remains unknown. Moreover, such bedform effects are typically neglected in two-dimensional (depth-averaged) morphodynamic models that are used to simulate river evolution. To evaluate the significance of these issues, we report results from a combined numerical modelling and field monitoring study, undertaken in the South Saskatchewan River, Canada. Numerical simulations were carried out, using the OpenFOAM CFD code, to quantify the mean three-dimensional flow structure within a 90 x 350 m section of channel. To isolate the role of bedforms as a control on flow and sediment transport, two simulations were undertaken. The first used a high-resolution ( 3 cm) bedform-resolving DEM. The second used a filtered DEM in which dunes were removed and only large scale topographic features (e.g., bars, scour pools etc) were resolved. The results of these simulations are compared here, in order to quantify the degree to which topographic steering by bedforms influences flow and sediment transport directions at bar and channel scales. Analysis of the CFD simulation results within a 2D morphodynamic modelling framework demonstrates that dunes exert a significant influence on sediment transport, and hence morphodynamics, and highlights important shortcomings in existing 2D model parameterisations of topographic steering.

A Decade-long Continental-Scale Convection-Resolving Climate Simulation on GPUs

NASA Astrophysics Data System (ADS)

Leutwyler, David; Fuhrer, Oliver; Lapillonne, Xavier; Lüthi, Daniel; Schär, Christoph

2016-04-01

The representation of moist convection in climate models represents a major challenge, due to the small scales involved. Convection-resolving models have proven to be very useful tools in numerical weather prediction and in climate research. Using horizontal grid spacings of O(1km), they allow to explicitly resolve deep convection leading to an improved representation of the water cycle. However, due to their extremely demanding computational requirements, they have so far been limited to short simulations and/or small computational domains. Innovations in the supercomputing domain have led to new supercomputer-designs that involve conventional multicore CPUs and accelerators such as graphics processing units (GPUs). One of the first atmospheric models that has been fully ported to GPUs is the Consortium for Small-Scale Modeling weather and climate model COSMO. This new version allows us to expand the size of the simulation domain to areas spanning continents and the time period up to one decade. We present results from a decade-long, convection-resolving climate simulation using the GPU-enabled COSMO version. The simulation is driven by the ERA-interim reanalysis. The results illustrate how the approach allows for the representation of interactions between synoptic-scale and meso-scale atmospheric circulations at scales ranging from 1000 to 10 km. We discuss the performance of the convection-resolving modeling approach on the European scale. Specifically we focus on the annual cycle of convection in Europe, on the organization of convective clouds and on the verification of hourly rainfall with various high resolution datasets.

Nonlocal and collective relaxation in stellar systems

NASA Technical Reports Server (NTRS)

Weinberg, Martin D.

1993-01-01

The modal response of stellar systems to fluctuations at large scales is presently investigated by means of analytic theory and n-body simulation; the stochastic excitation of these modes is shown to increase the relaxation rate even for a system which is moderately far from instability. The n-body simulations, when designed to suppress relaxation at small scales, clearly show the effects of large-scale fluctuations. It is predicted that large-scale fluctuations will be largest for such marginally bound systems as forming star clusters and associations.

Techniques and resources for storm-scale numerical weather prediction

NASA Technical Reports Server (NTRS)

Droegemeier, Kelvin; Grell, Georg; Doyle, James; Soong, Su-Tzai; Skamarock, William; Bacon, David; Staniforth, Andrew; Crook, Andrew; Wilhelmson, Robert

1993-01-01

The topics discussed include the following: multiscale application of the 5th-generation PSU/NCAR mesoscale model, the coupling of nonhydrostatic atmospheric and hydrostatic ocean models for air-sea interaction studies; a numerical simulation of cloud formation over complex topography; adaptive grid simulations of convection; an unstructured grid, nonhydrostatic meso/cloud scale model; efficient mesoscale modeling for multiple scales using variable resolution; initialization of cloud-scale models with Doppler radar data; and making effective use of future computing architectures, networks, and visualization software.

Mesoscale Thermodynamic Analysis of Atomic-Scale Dislocation-Obstacle Interactions Simulated by Molecular Dynamics

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

Monet, Giath; Bacon, David J; Osetskiy, Yury N

2010-01-01

Given the time and length scales in molecular dynamics (MD) simulations of dislocation-defect interactions, quantitative MD results cannot be used directly in larger scale simulations or compared directly with experiment. A method to extract fundamental quantities from MD simulations is proposed here. The first quantity is a critical stress defined to characterise the obstacle resistance. This mesoscopic parameter, rather than the obstacle 'strength' designed for a point obstacle, is to be used for an obstacle of finite size. At finite temperature, our analyses of MD simulations allow the activation energy to be determined as a function of temperature. The resultsmore » confirm the proportionality between activation energy and temperature that is frequently observed by experiment. By coupling the data for the activation energy and the critical stress as functions of temperature, we show how the activation energy can be deduced at a given value of the critical stress.« less

MODFLOW equipped with a new method for the accurate simulation of axisymmetric flow

NASA Astrophysics Data System (ADS)

Samani, N.; Kompani-Zare, M.; Barry, D. A.

2004-01-01

Axisymmetric flow to a well is an important topic of groundwater hydraulics, the simulation of which depends on accurate computation of head gradients. Groundwater numerical models with conventional rectilinear grid geometry such as MODFLOW (in contrast to analytical models) generally have not been used to simulate aquifer test results at a pumping well because they are not designed or expected to closely simulate the head gradient near the well. A scaling method is proposed based on mapping the governing flow equation from cylindrical to Cartesian coordinates, and vice versa. A set of relationships and scales is derived to implement the conversion. The proposed scaling method is then embedded in MODFLOW 2000. To verify the accuracy of the method steady and unsteady flows in confined and unconfined aquifers with fully or partially penetrating pumping wells are simulated and compared with the corresponding analytical solutions. In all cases a high degree of accuracy is achieved.

A model framework to represent plant-physiology and rhizosphere processes in soil profile simulation models

NASA Astrophysics Data System (ADS)

Vanderborght, J.; Javaux, M.; Couvreur, V.; Schröder, N.; Huber, K.; Abesha, B.; Schnepf, A.; Vereecken, H.

2013-12-01

Plant roots play a crucial role in several key processes in soils. Besides their impact on biogeochemical cycles and processes, they also have an important influence on physical processes such as water flow and transport of dissolved substances in soils. Interaction between plant roots and soil processes takes place at different scales and ranges from the scale of an individual root and its directly surrounding soil or rhizosphere over the scale of a root system of an individual plant in a soil profile to the scale of vegetation patterns in landscapes. Simulation models that are used to predict water flow and solute transport in soil-plant systems mainly focus on the individual plant root system scale, parameterize single-root scale phenomena, and aggregate the root system scale to the vegetation scale. In this presentation, we will focus on the transition from the single root to the root system scale. Using high resolution non-invasive imaging techniques and methods, gradients in soil properties and states around roots and their difference from the bulk soil properties could be demonstrated. Recent developments in plant sciences provide new insights in the mechanisms that control water fluxes in plants and in the adaptation of root properties or root plasticity to changing soil conditions. However, since currently used approaches to simulate root water uptake neither resolve these small scale processes nor represent processes and controls within the root system, transferring this information to the whole soil-plant system scale is a challenge. Using a simulation model that describes flow and transport processes in the soil, resolves flow and transport towards individual roots, and describes flow and transport within the root system, such a transfer could be achieved. We present a few examples that illustrate: (i) the impact of changed rhizosphere hydraulic properties, (ii) the effect of root hydraulic properties and root system architecture, (iii) the regulation of plant transpiration by root-zone produced plant hormones, and (iv) the impact of salt accumulation at the soil-root interface on root water uptake. We further propose a framework how this process knowledge could be implemented in root zone simulation models that do not resolve small scale processes.

A large-scale forest landscape model incorporating multi-scale processes and utilizing forest inventory data

Treesearch

Wen J. Wang; Hong S. He; Martin A. Spetich; Stephen R. Shifley; Frank R. Thompson III; David R. Larsen; Jacob S. Fraser; Jian Yang

2013-01-01

Two challenges confronting forest landscape models (FLMs) are how to simulate fine, standscale processes while making large-scale (i.e., .107 ha) simulation possible, and how to take advantage of extensive forest inventory data such as U.S. Forest Inventory and Analysis (FIA) data to initialize and constrain model parameters. We present the LANDIS PRO model that...

Vertical Scaling with the Rasch Model Utilizing Default and Tight Convergence Settings with WINSTEPS and BILOG-MG

ERIC Educational Resources Information Center

Custer, Michael; Omar, Md Hafidz; Pomplun, Mark

2006-01-01

This study compared vertical scaling results for the Rasch model from BILOG-MG and WINSTEPS. The item and ability parameters for the simulated vocabulary tests were scaled across 11 grades; kindergarten through 10th. Data were based on real data and were simulated under normal and skewed distribution assumptions. WINSTEPS and BILOG-MG were each…

Numerical Simulations of Vortical Mode Stirring: Effects of Large Scale Shear and Strain

DTIC Science & Technology

2015-09-30

Numerical Simulations of Vortical Mode Stirring: Effects of Large-Scale Shear and Strain M.-Pascale Lelong NorthWest Research Associates...can be implemented in larger-scale ocean models. These parameterizations will incorporate the effects of local ambient conditions including latitude...talk at the 1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Nonlinear Effects in Internal Waves Conference held

The mechanical design and simulation of a scaled H⁻ Penning ion source.

PubMed

Rutter, T; Faircloth, D; Turner, D; Lawrie, S

2016-02-01

The existing ISIS Penning H(-) source is unable to produce the beam parameters required for the front end test stand and so a new, high duty factor, high brightness scaled source is being developed. This paper details first the development of an electrically biased aperture plate for the existing ISIS source and second, the design, simulation, and development of a prototype scaled source.

The mechanical design and simulation of a scaled H- Penning ion source

NASA Astrophysics Data System (ADS)

Rutter, T.; Faircloth, D.; Turner, D.; Lawrie, S.

2016-02-01

The existing ISIS Penning H- source is unable to produce the beam parameters required for the front end test stand and so a new, high duty factor, high brightness scaled source is being developed. This paper details first the development of an electrically biased aperture plate for the existing ISIS source and second, the design, simulation, and development of a prototype scaled source.

WWC Review of the Report "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions." What Works Clearinghouse Single Study Review

ERIC Educational Resources Information Center

What Works Clearinghouse, 2014

2014-01-01

The 2014 study, "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions," examined the effects of using the true-to-scale (TTS) display mode versus the orrery display mode in the iPad's Solar Walk software application on students' knowledge of the Earth's place in the solar system. The…

High Fidelity Simulations of Large-Scale Wireless Networks

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

Onunkwo, Uzoma; Benz, Zachary

The worldwide proliferation of wireless connected devices continues to accelerate. There are 10s of billions of wireless links across the planet with an additional explosion of new wireless usage anticipated as the Internet of Things develops. Wireless technologies do not only provide convenience for mobile applications, but are also extremely cost-effective to deploy. Thus, this trend towards wireless connectivity will only continue and Sandia must develop the necessary simulation technology to proactively analyze the associated emerging vulnerabilities. Wireless networks are marked by mobility and proximity-based connectivity. The de facto standard for exploratory studies of wireless networks is discrete event simulationsmore » (DES). However, the simulation of large-scale wireless networks is extremely difficult due to prohibitively large turnaround time. A path forward is to expedite simulations with parallel discrete event simulation (PDES) techniques. The mobility and distance-based connectivity associated with wireless simulations, however, typically doom PDES and fail to scale (e.g., OPNET and ns-3 simulators). We propose a PDES-based tool aimed at reducing the communication overhead between processors. The proposed solution will use light-weight processes to dynamically distribute computation workload while mitigating communication overhead associated with synchronizations. This work is vital to the analytics and validation capabilities of simulation and emulation at Sandia. We have years of experience in Sandia’s simulation and emulation projects (e.g., MINIMEGA and FIREWHEEL). Sandia’s current highly-regarded capabilities in large-scale emulations have focused on wired networks, where two assumptions prevent scalable wireless studies: (a) the connections between objects are mostly static and (b) the nodes have fixed locations.« less

Probabilistic Simulation of Multi-Scale Composite Behavior

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2012-01-01

A methodology is developed to computationally assess the non-deterministic composite response at all composite scales (from micro to structural) due to the uncertainties in the constituent (fiber and matrix) properties, in the fabrication process and in structural variables (primitive variables). The methodology is computationally efficient for simulating the probability distributions of composite behavior, such as material properties, laminate and structural responses. Bi-products of the methodology are probabilistic sensitivities of the composite primitive variables. The methodology has been implemented into the computer codes PICAN (Probabilistic Integrated Composite ANalyzer) and IPACS (Integrated Probabilistic Assessment of Composite Structures). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in composite typical laminates and comparing the results with the Monte Carlo simulation method. Available experimental data of composite laminate behavior at all scales fall within the scatters predicted by PICAN. Multi-scaling is extended to simulate probabilistic thermo-mechanical fatigue and to simulate the probabilistic design of a composite redome in order to illustrate its versatility. Results show that probabilistic fatigue can be simulated for different temperature amplitudes and for different cyclic stress magnitudes. Results also show that laminate configurations can be selected to increase the redome reliability by several orders of magnitude without increasing the laminate thickness--a unique feature of structural composites. The old reference denotes that nothing fundamental has been done since that time.

Large scale simulation of liquid water transport in a gas diffusion layer of polymer electrolyte membrane fuel cells using the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Sakaida, Satoshi; Tabe, Yutaka; Chikahisa, Takemi

2017-09-01

A method for the large-scale simulation with the lattice Boltzmann method (LBM) is proposed for liquid water movement in a gas diffusion layer (GDL) of polymer electrolyte membrane fuel cells. The LBM is able to analyze two-phase flows in complex structures, however the simulation domain is limited due to heavy computational loads. This study investigates a variety means to reduce computational loads and increase the simulation areas. One is applying an LBM treating two-phases as having the same density, together with keeping numerical stability with large time steps. The applicability of this approach is confirmed by comparing the results with rigorous simulations using actual density. The second is establishing the maximum limit of the Capillary number that maintains flow patterns similar to the precise simulation; this is attempted as the computational load is inversely proportional to the Capillary number. The results show that the Capillary number can be increased to 3.0 × 10-3, where the actual operation corresponds to Ca = 10-5∼10-8. The limit is also investigated experimentally using an enlarged scale model satisfying similarity conditions for the flow. Finally, a demonstration is made of the effects of pore uniformity in GDL as an example of a large-scale simulation covering a channel.

Combined Monte Carlo and path-integral method for simulated library of time-resolved reflectance curves from layered tissue models

NASA Astrophysics Data System (ADS)

Wilson, Robert H.; Vishwanath, Karthik; Mycek, Mary-Ann

2009-02-01

Monte Carlo (MC) simulations are considered the "gold standard" for mathematical description of photon transport in tissue, but they can require large computation times. Therefore, it is important to develop simple and efficient methods for accelerating MC simulations, especially when a large "library" of related simulations is needed. A semi-analytical method involving MC simulations and a path-integral (PI) based scaling technique generated time-resolved reflectance curves from layered tissue models. First, a zero-absorption MC simulation was run for a tissue model with fixed scattering properties in each layer. Then, a closed-form expression for the average classical path of a photon in tissue was used to determine the percentage of time that the photon spent in each layer, to create a weighted Beer-Lambert factor to scale the time-resolved reflectance of the simulated zero-absorption tissue model. This method is a unique alternative to other scaling techniques in that it does not require the path length or number of collisions of each photon to be stored during the initial simulation. Effects of various layer thicknesses and absorption and scattering coefficients on the accuracy of the method will be discussed.

Development of an informatics infrastructure for data exchange of biomolecular simulations: architecture, data models and ontology$

PubMed Central

Thibault, J. C.; Roe, D. R.; Eilbeck, K.; Cheatham, T. E.; Facelli, J. C.

2015-01-01

Biomolecular simulations aim to simulate structure, dynamics, interactions, and energetics of complex biomolecular systems. With the recent advances in hardware, it is now possible to use more complex and accurate models, but also reach time scales that are biologically significant. Molecular simulations have become a standard tool for toxicology and pharmacology research, but organizing and sharing data – both within the same organization and among different ones – remains a substantial challenge. In this paper we review our recent work leading to the development of a comprehensive informatics infrastructure to facilitate the organization and exchange of biomolecular simulations data. Our efforts include the design of data models and dictionary tools that allow the standardization of the metadata used to describe the biomedical simulations, the development of a thesaurus and ontology for computational reasoning when searching for biomolecular simulations in distributed environments, and the development of systems based on these models to manage and share the data at a large scale (iBIOMES), and within smaller groups of researchers at laboratory scale (iBIOMES Lite), that take advantage of the standardization of the meta data used to describe biomolecular simulations. PMID:26387907

Development of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontology.

PubMed

Thibault, J C; Roe, D R; Eilbeck, K; Cheatham, T E; Facelli, J C

2015-01-01

Biomolecular simulations aim to simulate structure, dynamics, interactions, and energetics of complex biomolecular systems. With the recent advances in hardware, it is now possible to use more complex and accurate models, but also reach time scales that are biologically significant. Molecular simulations have become a standard tool for toxicology and pharmacology research, but organizing and sharing data - both within the same organization and among different ones - remains a substantial challenge. In this paper we review our recent work leading to the development of a comprehensive informatics infrastructure to facilitate the organization and exchange of biomolecular simulations data. Our efforts include the design of data models and dictionary tools that allow the standardization of the metadata used to describe the biomedical simulations, the development of a thesaurus and ontology for computational reasoning when searching for biomolecular simulations in distributed environments, and the development of systems based on these models to manage and share the data at a large scale (iBIOMES), and within smaller groups of researchers at laboratory scale (iBIOMES Lite), that take advantage of the standardization of the meta data used to describe biomolecular simulations.

Persistence of initial conditions in continental scale air quality simulations

EPA Science Inventory

This study investigates the effect of initial conditions (IC) for pollutant concentrations in the atmosphere and soil on simulated air quality for two continental-scale Community Multiscale Air Quality (CMAQ) model applications. One of these applications was performed for springt...

Molecular dynamics simulations of large macromolecular complexes.

PubMed

Perilla, Juan R; Goh, Boon Chong; Cassidy, C Keith; Liu, Bo; Bernardi, Rafael C; Rudack, Till; Yu, Hang; Wu, Zhe; Schulten, Klaus

2015-04-01

Connecting dynamics to structural data from diverse experimental sources, molecular dynamics simulations permit the exploration of biological phenomena in unparalleled detail. Advances in simulations are moving the atomic resolution descriptions of biological systems into the million-to-billion atom regime, in which numerous cell functions reside. In this opinion, we review the progress, driven by large-scale molecular dynamics simulations, in the study of viruses, ribosomes, bioenergetic systems, and other diverse applications. These examples highlight the utility of molecular dynamics simulations in the critical task of relating atomic detail to the function of supramolecular complexes, a task that cannot be achieved by smaller-scale simulations or existing experimental approaches alone. Copyright © 2015 Elsevier Ltd. All rights reserved.

Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO 2

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

Sutton, Jonathan E.; Lorenzi, Juan M.; Krogel, Jaron T.

First-principles kinetic Monte Carlo (1p-kMC) simulations for CO oxidation on two RuO 2 facets, RuO 2(110) and RuO 2(111), were coupled to the computational fluid dynamics (CFD) simulations package MFIX, and reactor-scale simulations were then performed. 1p-kMC coupled with CFD has recently been shown as a feasible method for translating molecular scale mechanistic knowledge to the reactor scale, enabling comparisons to in situ and online experimental measurements. Only a few studies with such coupling have been published. This work incorporates multiple catalytic surface facets into the scale-coupled simulation, and three possibilities were investigated: the two possibilities of each facet individuallymore » being the dominant phase in the reactor, and also the possibility that both facets were present on the catalyst particles in the ratio predicted by an ab initio thermodynamics-based Wulff construction. When lateral interactions between adsorbates were included in the 1p-kMC simulations, the two surfaces, RuO 2(110) and RuO 2(111), were found to be of similar order-of-magnitude in activity for the pressure range of 1 × 10 –4 bar to 1 bar, with the RuO 2(110) surface-termination showing more simulated activity than the RuO 2(111) surface-termination. Coupling between the 1p-kMC and CFD was achieved with a lookup table generated by the error-based modified Shepard interpolation scheme. Isothermal reactor scale simulations were performed and compared to two separate experimental studies, conducted with reactant partial pressures of ≤0.1 bar. Simulations without an isothermality restriction were also conducted and showed that the simulated temperature gradient across the catalytic reactor bed is <0.5 K, which validated the use of the isothermality restriction for investigating the reactor-scale phenomenological temperature dependences. The approach with the Wulff construction based reactor simulations reproduced a trend similar to one experimental data set relatively well, with the (110) surface being more active at higher temperaures; in contrast, for the other experimental data set, our reactor simulations achieve surprisingly and perhaps fortuitously good agreement with the activity and phenomenological pressure dependence when it is assumed that the (111) facet is the only active facet present. Lastly, the active phase of catalytic CO oxidation over RuO 2 remains unsettled, but the present study presents proof of principle (and progress) toward more accurate multiscale modeling from electrons to reactors and new simulation results.« less

Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO 2

DOE PAGES

Sutton, Jonathan E.; Lorenzi, Juan M.; Krogel, Jaron T.; ...

2018-04-20

First-principles kinetic Monte Carlo (1p-kMC) simulations for CO oxidation on two RuO 2 facets, RuO 2(110) and RuO 2(111), were coupled to the computational fluid dynamics (CFD) simulations package MFIX, and reactor-scale simulations were then performed. 1p-kMC coupled with CFD has recently been shown as a feasible method for translating molecular scale mechanistic knowledge to the reactor scale, enabling comparisons to in situ and online experimental measurements. Only a few studies with such coupling have been published. This work incorporates multiple catalytic surface facets into the scale-coupled simulation, and three possibilities were investigated: the two possibilities of each facet individuallymore » being the dominant phase in the reactor, and also the possibility that both facets were present on the catalyst particles in the ratio predicted by an ab initio thermodynamics-based Wulff construction. When lateral interactions between adsorbates were included in the 1p-kMC simulations, the two surfaces, RuO 2(110) and RuO 2(111), were found to be of similar order-of-magnitude in activity for the pressure range of 1 × 10 –4 bar to 1 bar, with the RuO 2(110) surface-termination showing more simulated activity than the RuO 2(111) surface-termination. Coupling between the 1p-kMC and CFD was achieved with a lookup table generated by the error-based modified Shepard interpolation scheme. Isothermal reactor scale simulations were performed and compared to two separate experimental studies, conducted with reactant partial pressures of ≤0.1 bar. Simulations without an isothermality restriction were also conducted and showed that the simulated temperature gradient across the catalytic reactor bed is <0.5 K, which validated the use of the isothermality restriction for investigating the reactor-scale phenomenological temperature dependences. The approach with the Wulff construction based reactor simulations reproduced a trend similar to one experimental data set relatively well, with the (110) surface being more active at higher temperaures; in contrast, for the other experimental data set, our reactor simulations achieve surprisingly and perhaps fortuitously good agreement with the activity and phenomenological pressure dependence when it is assumed that the (111) facet is the only active facet present. Lastly, the active phase of catalytic CO oxidation over RuO 2 remains unsettled, but the present study presents proof of principle (and progress) toward more accurate multiscale modeling from electrons to reactors and new simulation results.« less

[The research on bidirectional reflectance computer simulation of forest canopy at pixel scale].

PubMed

Song, Jin-Ling; Wang, Jin-Di; Shuai, Yan-Min; Xiao, Zhi-Qiang

2009-08-01

Computer simulation is based on computer graphics to generate the realistic 3D structure scene of vegetation, and to simulate the canopy regime using radiosity method. In the present paper, the authors expand the computer simulation model to simulate forest canopy bidirectional reflectance at pixel scale. But usually, the trees are complex structures, which are tall and have many branches. So there is almost a need for hundreds of thousands or even millions of facets to built up the realistic structure scene for the forest It is difficult for the radiosity method to compute so many facets. In order to make the radiosity method to simulate the forest scene at pixel scale, in the authors' research, the authors proposed one idea to simplify the structure of forest crowns, and abstract the crowns to ellipsoids. And based on the optical characteristics of the tree component and the characteristics of the internal energy transmission of photon in real crown, the authors valued the optical characteristics of ellipsoid surface facets. In the computer simulation of the forest, with the idea of geometrical optics model, the gap model is considered to get the forest canopy bidirectional reflectance at pixel scale. Comparing the computer simulation results with the GOMS model, and Multi-angle Imaging SpectroRadiometer (MISR) multi-angle remote sensing data, the simulation results are in agreement with the GOMS simulation result and MISR BRF. But there are also some problems to be solved. So the authors can conclude that the study has important value for the application of multi-angle remote sensing and the inversion of vegetation canopy structure parameters.

Dispersion Analysis Using Particle Tracking Simulations Through Heterogeneity Based on Outcrop Lidar Imagery

NASA Astrophysics Data System (ADS)

Klise, K. A.; Weissmann, G. S.; McKenna, S. A.; Tidwell, V. C.; Frechette, J. D.; Wawrzyniec, T. F.

2007-12-01

Solute plumes are believed to disperse in a non-Fickian manner due to small-scale heterogeneity and variable velocities that create preferential pathways. In order to accurately predict dispersion in naturally complex geologic media, the connection between heterogeneity and dispersion must be better understood. Since aquifer properties can not be measured at every location, it is common to simulate small-scale heterogeneity with random field generators based on a two-point covariance (e.g., through use of sequential simulation algorithms). While these random fields can produce preferential flow pathways, it is unknown how well the results simulate solute dispersion through natural heterogeneous media. To evaluate the influence that complex heterogeneity has on dispersion, we utilize high-resolution terrestrial lidar to identify and model lithofacies from outcrop for application in particle tracking solute transport simulations using RWHet. The lidar scan data are used to produce a lab (meter) scale two-dimensional model that captures 2-8 mm scale natural heterogeneity. Numerical simulations utilize various methods to populate the outcrop structure captured by the lidar-based image with reasonable hydraulic conductivity values. The particle tracking simulations result in residence time distributions used to evaluate the nature of dispersion through complex media. Particle tracking simulations through conductivity fields produced from the lidar images are then compared to particle tracking simulations through hydraulic conductivity fields produced from sequential simulation algorithms. Based on this comparison, the study aims to quantify the difference in dispersion when using realistic and simplified representations of aquifer heterogeneity. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

The Effect of Tool Handle Shape on Hand Muscle Load and Pinch Force in a Simulated Dental Scaling Task

PubMed Central

Dong, Hui; Loomer, Peter; Barr, Alan; LaRoche, Charles; Young, Ed; Rempel, David

2007-01-01

Work-related upper extremity musculoskeletal disorders, including carpal tunnel syndrome, are prevalent among dentists and dental hygienists. An important risk factor for developing these disorders is forceful pinching which occurs during periodontal work such as dental scaling. Ergonomically designed dental scaling instruments may help reduce the prevalence of carpal tunnel syndrome among dental practitioners. In this study, 8 custom-designed dental scaling instruments with different handle shapes were used by 24 dentists and dental hygienists to perform a simulated tooth scaling task. The muscle activity of two extensors and two flexors in the forearm was recorded with electromyography while thumb pinch force was measured by pressure sensors. The results demonstrated that the instrument handle with a tapered, round shape and a 10 mm diameter required the least muscle load and pinch force when performing simulated periodontal work. The results from this study can guide dentists and dental hygienists in selection of dental scaling instruments. PMID:17156742

Extending the Community Multiscale Air Quality (CMAQ) Modeling System to Hemispheric Scales: Overview of Process Considerations and Initial Applications

PubMed Central

Mathur, Rohit; Xing, Jia; Gilliam, Robert; Sarwar, Golam; Hogrefe, Christian; Pleim, Jonathan; Pouliot, George; Roselle, Shawn; Spero, Tanya L.; Wong, David C.; Young, Jeffrey

2018-01-01

The Community Multiscale Air Quality (CMAQ) modeling system is extended to simulate ozone, particulate matter, and related precursor distributions throughout the Northern Hemisphere. Modelled processes were examined and enhanced to suitably represent the extended space and time scales for such applications. Hemispheric scale simulations with CMAQ and the Weather Research and Forecasting (WRF) model are performed for multiple years. Model capabilities for a range of applications including episodic long-range pollutant transport, long-term trends in air pollution across the Northern Hemisphere, and air pollution-climate interactions are evaluated through detailed comparison with available surface, aloft, and remotely sensed observations. The expansion of CMAQ to simulate the hemispheric scales provides a framework to examine interactions between atmospheric processes occurring at various spatial and temporal scales with physical, chemical, and dynamical consistency. PMID:29681922

Facilitating Co-Design for Extreme-Scale Systems Through Lightweight Simulation

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

Engelmann, Christian; Lauer, Frank

This work focuses on tools for investigating algorithm performance at extreme scale with millions of concurrent threads and for evaluating the impact of future architecture choices to facilitate the co-design of high-performance computing (HPC) architectures and applications. The approach focuses on lightweight simulation of extreme-scale HPC systems with the needed amount of accuracy. The prototype presented in this paper is able to provide this capability using a parallel discrete event simulation (PDES), such that a Message Passing Interface (MPI) application can be executed at extreme scale, and its performance properties can be evaluated. The results of an initial prototype aremore » encouraging as a simple 'hello world' MPI program could be scaled up to 1,048,576 virtual MPI processes on a four-node cluster, and the performance properties of two MPI programs could be evaluated at up to 16,384 virtual MPI processes on the same system.« less

Postcoalescence evolution of growth stress in polycrystalline films.

PubMed

González-González, A; Polop, C; Vasco, E

2013-02-01

The growth stress generated once grains coalesce in Volmer-Weber-type thin films is investigated by time-multiscale simulations comprising complementary modules of (i) finite-element modeling to address the interactions between grains happening at atomic vibration time scales (~0.1 ps), (ii) dynamic scaling to account for the surface stress relaxation via morphology changes at surface diffusion time scales (~μs-ms), and (iii) the mesoscopic rate equation approach to simulate the bulk stress relaxation at deposition time scales (~sec-h). On the basis of addressing the main experimental evidence reported so far on the topic dealt with, the simulation results provide key findings concerning the interplay between anisotropic grain interactions at complementary space scales, deposition conditions (such as flux and mobility), and mechanisms of stress accommodation-relaxation, which underlies the origin, nature and spatial distribution, and the flux dependence of the postcoalescence growth stress.

Nonuniversal star formation efficiency in turbulent ISM

DOE PAGES

Semenov, Vadim A.; Kravtsov, Andrey V.; Gnedin, Nickolay Y.

2016-07-29

Here, we present a study of a star formation prescription in which star formation efficiency depends on local gas density and turbulent velocity dispersion, as suggested by direct simulations of SF in turbulent giant molecular clouds (GMCs). We test the model using a simulation of an isolated Milky Way-sized galaxy with a self-consistent treatment of turbulence on unresolved scales. We show that this prescription predicts a wide variation of local star formation efficiency per free-fall time,more » $$\\epsilon_{\\rm ff} \\sim 0.1 - 10\\%$$, and gas depletion time, $$t_{\\rm dep} \\sim 0.1 - 10$$ Gyr. In addition, it predicts an effective density threshold for star formation due to suppression of $$\\epsilon_{\\rm ff}$$ in warm diffuse gas stabilized by thermal pressure. We show that the model predicts star formation rates in agreement with observations from the scales of individual star-forming regions to the kiloparsec scales. This agreement is non-trivial, as the model was not tuned in any way and the predicted star formation rates on all scales are determined by the distribution of the GMC-scale densities and turbulent velocities $$\\sigma$$ in the cold gas within the galaxy, which is shaped by galactic dynamics. The broad agreement of the star formation prescription calibrated in the GMC-scale simulations with observations, both gives credence to such simulations and promises to put star formation modeling in galaxy formation simulations on a much firmer theoretical footing.« less

Extended-range high-resolution dynamical downscaling over a continental-scale spatial domain with atmospheric and surface nudging

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

Extended-range high-resolution mesoscale simulations with limited-area atmospheric models when applied to downscale regional analysis fields over large spatial domains can provide valuable information for many applications including the weather-dependent renewable energy industry. Long-term simulations over a continental-scale spatial domain, however, require mechanisms to control the large-scale deviations in the high-resolution simulated fields from the coarse-resolution driving fields. As enforcement of the lateral boundary conditions is insufficient to restrict such deviations, large scales in the simulated high-resolution meteorological fields are therefore spectrally nudged toward the driving fields. Different spectral nudging approaches, including the appropriate nudging length scales as well as the vertical profiles and temporal relaxations for nudging, have been investigated to propose an optimal nudging strategy. Impacts of time-varying nudging and generation of hourly analysis estimates are explored to circumvent problems arising from the coarse temporal resolution of the regional analysis fields. Although controlling the evolution of the atmospheric large scales generally improves the outputs of high-resolution mesoscale simulations within the surface layer, the prognostically evolving surface fields can nevertheless deviate from their expected values leading to significant inaccuracies in the predicted surface layer meteorology. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil moisture, and snow conditions, toward their expected values obtained from a high-resolution offline surface scheme is therefore proposed to limit any considerable deviation. Finally, wind speed and temperature at wind turbine hub height predicted by different spectrally nudged extended-range simulations are compared against observations to demonstrate possible improvements achievable using higher spatiotemporal resolution.

Evaluation of Kirkwood-Buff integrals via finite size scaling: a large scale molecular dynamics study

NASA Astrophysics Data System (ADS)

Dednam, W.; Botha, A. E.

2015-01-01

Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution function method.

Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments

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

Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ

Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing.more » Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.« less

Pore-scale simulation of microbial growth using a genome-scale metabolic model: Implications for Darcy-scale reactive transport

NASA Astrophysics Data System (ADS)

Tartakovsky, G. D.; Tartakovsky, A. M.; Scheibe, T. D.; Fang, Y.; Mahadevan, R.; Lovley, D. R.

2013-09-01

Recent advances in microbiology have enabled the quantitative simulation of microbial metabolism and growth based on genome-scale characterization of metabolic pathways and fluxes. We have incorporated a genome-scale metabolic model of the iron-reducing bacteria Geobacter sulfurreducens into a pore-scale simulation of microbial growth based on coupling of iron reduction to oxidation of a soluble electron donor (acetate). In our model, fluid flow and solute transport is governed by a combination of the Navier-Stokes and advection-diffusion-reaction equations. Microbial growth occurs only on the surface of soil grains where solid-phase mineral iron oxides are available. Mass fluxes of chemical species associated with microbial growth are described by the genome-scale microbial model, implemented using a constraint-based metabolic model, and provide the Robin-type boundary condition for the advection-diffusion equation at soil grain surfaces. Conventional models of microbially-mediated subsurface reactions use a lumped reaction model that does not consider individual microbial reaction pathways, and describe reactions rates using empirically-derived rate formulations such as the Monod-type kinetics. We have used our pore-scale model to explore the relationship between genome-scale metabolic models and Monod-type formulations, and to assess the manifestation of pore-scale variability (microenvironments) in terms of apparent Darcy-scale microbial reaction rates. The genome-scale model predicted lower biomass yield, and different stoichiometry for iron consumption, in comparison to prior Monod formulations based on energetics considerations. We were able to fit an equivalent Monod model, by modifying the reaction stoichiometry and biomass yield coefficient, that could effectively match results of the genome-scale simulation of microbial behaviors under excess nutrient conditions, but predictions of the fitted Monod model deviated from those of the genome-scale model under conditions in which one or more nutrients were limiting. The fitted Monod kinetic model was also applied at the Darcy scale; that is, to simulate average reaction processes at the scale of the entire pore-scale model domain. As we expected, even under excess nutrient conditions for which the Monod and genome-scale models predicted equal reaction rates at the pore scale, the Monod model over-predicted the rates of biomass growth and iron and acetate utilization when applied at the Darcy scale. This discrepancy is caused by an inherent assumption of perfect mixing over the Darcy-scale domain, which is clearly violated in the pore-scale models. These results help to explain the need to modify the flux constraint parameters in order to match observations in previous applications of the genome-scale model at larger scales. These results also motivate further investigation of quantitative multi-scale relationships between fundamental behavior at the pore scale (where genome-scale models are appropriately applied) and observed behavior at larger scales (where predictions of reactive transport phenomena are needed).

Pore-scale simulation of microbial growth using a genome-scale metabolic model: Implications for Darcy-scale reactive transport

NASA Astrophysics Data System (ADS)

Scheibe, T. D.; Tartakovsky, G.; Tartakovsky, A. M.; Fang, Y.; Mahadevan, R.; Lovley, D. R.

2012-12-01

Recent advances in microbiology have enabled the quantitative simulation of microbial metabolism and growth based on genome-scale characterization of metabolic pathways and fluxes. We have incorporated a genome-scale metabolic model of the iron-reducing bacteria Geobacter sulfurreducens into a pore-scale simulation of microbial growth based on coupling of iron reduction to oxidation of a soluble electron donor (acetate). In our model, fluid flow and solute transport is governed by a combination of the Navier-Stokes and advection-diffusion-reaction equations. Microbial growth occurs only on the surface of soil grains where solid-phase mineral iron oxides are available. Mass fluxes of chemical species associated with microbial growth are described by the genome-scale microbial model, implemented using a constraint-based metabolic model, and provide the Robin-type boundary condition for the advection-diffusion equation at soil grain surfaces. Conventional models of microbially-mediated subsurface reactions use a lumped reaction model that does not consider individual microbial reaction pathways, and describe reactions rates using empirically-derived rate formulations such as the Monod-type kinetics. We have used our pore-scale model to explore the relationship between genome-scale metabolic models and Monod-type formulations, and to assess the manifestation of pore-scale variability (microenvironments) in terms of apparent Darcy-scale microbial reaction rates. The genome-scale model predicted lower biomass yield, and different stoichiometry for iron consumption, in comparison to prior Monod formulations based on energetics considerations. We were able to fit an equivalent Monod model, by modifying the reaction stoichiometry and biomass yield coefficient, that could effectively match results of the genome-scale simulation of microbial behaviors under excess nutrient conditions, but predictions of the fitted Monod model deviated from those of the genome-scale model under conditions in which one or more nutrients were limiting. The fitted Monod kinetic model was also applied at the Darcy scale; that is, to simulate average reaction processes at the scale of the entire pore-scale model domain. As we expected, even under excess nutrient conditions for which the Monod and genome-scale models predicted equal reaction rates at the pore scale, the Monod model over-predicted the rates of biomass growth and iron and acetate utilization when applied at the Darcy scale. This discrepancy is caused by an inherent assumption of perfect mixing over the Darcy-scale domain, which is clearly violated in the pore-scale models. These results help to explain the need to modify the flux constraint parameters in order to match observations in previous applications of the genome-scale model at larger scales. These results also motivate further investigation of quantitative multi-scale relationships between fundamental behavior at the pore scale (where genome-scale models are appropriately applied) and observed behavior at larger scales (where predictions of reactive transport phenomena are needed).

Pore-scale simulation of microbial growth using a genome-scale metabolic model: Implications for Darcy-scale reactive transport

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

Tartakovsky, Guzel D.; Tartakovsky, Alexandre M.; Scheibe, Timothy D.

2013-09-07

Recent advances in microbiology have enabled the quantitative simulation of microbial metabolism and growth based on genome-scale characterization of metabolic pathways and fluxes. We have incorporated a genome-scale metabolic model of the iron-reducing bacteria Geobacter sulfurreducens into a pore-scale simulation of microbial growth based on coupling of iron reduction to oxidation of a soluble electron donor (acetate). In our model, fluid flow and solute transport is governed by a combination of the Navier-Stokes and advection-diffusion-reaction equations. Microbial growth occurs only on the surface of soil grains where solid-phase mineral iron oxides are available. Mass fluxes of chemical species associated withmore » microbial growth are described by the genome-scale microbial model, implemented using a constraint-based metabolic model, and provide the Robin-type boundary condition for the advection-diffusion equation at soil grain surfaces. Conventional models of microbially-mediated subsurface reactions use a lumped reaction model that does not consider individual microbial reaction pathways, and describe reactions rates using empirically-derived rate formulations such as the Monod-type kinetics. We have used our pore-scale model to explore the relationship between genome-scale metabolic models and Monod-type formulations, and to assess the manifestation of pore-scale variability (microenvironments) in terms of apparent Darcy-scale microbial reaction rates. The genome-scale model predicted lower biomass yield, and different stoichiometry for iron consumption, in comparisonto prior Monod formulations based on energetics considerations. We were able to fit an equivalent Monod model, by modifying the reaction stoichiometry and biomass yield coefficient, that could effectively match results of the genome-scale simulation of microbial behaviors under excess nutrient conditions, but predictions of the fitted Monod model deviated from those of the genome-scale model under conditions in which one or more nutrients were limiting. The fitted Monod kinetic model was also applied at the Darcy scale; that is, to simulate average reaction processes at the scale of the entire pore-scale model domain. As we expected, even under excess nutrient conditions for which the Monod and genome-scale models predicted equal reaction rates at the pore scale, the Monod model over-predicted the rates of biomass growth and iron and acetate utilization when applied at the Darcy scale. This discrepancy is caused by an inherent assumption of perfect mixing over the Darcy-scale domain, which is clearly violated in the pore-scale models. These results help to explain the need to modify the flux constraint parameters in order to match observations in previous applications of the genome-scale model at larger scales. These results also motivate further investigation of quantitative multi-scale relationships between fundamental behavior at the pore scale (where genome-scale models are appropriately applied) and observed behavior at larger scales (where predictions of reactive transport phenomena are needed).« less

A new synoptic scale resolving global climate simulation using the Community Earth System Model

NASA Astrophysics Data System (ADS)

Small, R. Justin; Bacmeister, Julio; Bailey, David; Baker, Allison; Bishop, Stuart; Bryan, Frank; Caron, Julie; Dennis, John; Gent, Peter; Hsu, Hsiao-ming; Jochum, Markus; Lawrence, David; Muñoz, Ernesto; diNezio, Pedro; Scheitlin, Tim; Tomas, Robert; Tribbia, Joseph; Tseng, Yu-heng; Vertenstein, Mariana

2014-12-01

High-resolution global climate modeling holds the promise of capturing planetary-scale climate modes and small-scale (regional and sometimes extreme) features simultaneously, including their mutual interaction. This paper discusses a new state-of-the-art high-resolution Community Earth System Model (CESM) simulation that was performed with these goals in mind. The atmospheric component was at 0.25° grid spacing, and ocean component at 0.1°. One hundred years of "present-day" simulation were completed. Major results were that annual mean sea surface temperature (SST) in the equatorial Pacific and El-Niño Southern Oscillation variability were well simulated compared to standard resolution models. Tropical and southern Atlantic SST also had much reduced bias compared to previous versions of the model. In addition, the high resolution of the model enabled small-scale features of the climate system to be represented, such as air-sea interaction over ocean frontal zones, mesoscale systems generated by the Rockies, and Tropical Cyclones. Associated single component runs and standard resolution coupled runs are used to help attribute the strengths and weaknesses of the fully coupled run. The high-resolution run employed 23,404 cores, costing 250 thousand processor-hours per simulated year and made about two simulated years per day on the NCAR-Wyoming supercomputer "Yellowstone."

Large-Scale Modeling of Epileptic Seizures: Scaling Properties of Two Parallel Neuronal Network Simulation Algorithms

DOE PAGES

Pesce, Lorenzo L.; Lee, Hyong C.; Hereld, Mark; ...

2013-01-01

Our limited understanding of the relationship between the behavior of individual neurons and large neuronal networks is an important limitation in current epilepsy research and may be one of the main causes of our inadequate ability to treat it. Addressing this problem directly via experiments is impossibly complex; thus, we have been developing and studying medium-large-scale simulations of detailed neuronal networks to guide us. Flexibility in the connection schemas and a complete description of the cortical tissue seem necessary for this purpose. In this paper we examine some of the basic issues encountered in these multiscale simulations. We have determinedmore » the detailed behavior of two such simulators on parallel computer systems. The observed memory and computation-time scaling behavior for a distributed memory implementation were very good over the range studied, both in terms of network sizes (2,000 to 400,000 neurons) and processor pool sizes (1 to 256 processors). Our simulations required between a few megabytes and about 150 gigabytes of RAM and lasted between a few minutes and about a week, well within the capability of most multinode clusters. Therefore, simulations of epileptic seizures on networks with millions of cells should be feasible on current supercomputers.« less

Simulating single-phase and two-phase non-Newtonian fluid flow of a digital rock scanned at high resolution

NASA Astrophysics Data System (ADS)

Tembely, Moussa; Alsumaiti, Ali M.; Jouini, Mohamed S.; Rahimov, Khurshed; Dolatabadi, Ali

2017-11-01

Most of the digital rock physics (DRP) simulations focus on Newtonian fluids and overlook the detailed description of rock-fluid interaction. A better understanding of multiphase non-Newtonian fluid flow at pore-scale is crucial for optimizing enhanced oil recovery (EOR). The Darcy scale properties of reservoir rocks such as the capillary pressure curves and the relative permeability are controlled by the pore-scale behavior of the multiphase flow. In the present work, a volume of fluid (VOF) method coupled with an adaptive meshing technique is used to perform the pore-scale simulation on a 3D X-ray micro-tomography (CT) images of rock samples. The numerical model is based on the resolution of the Navier-Stokes equations along with a phase fraction equation incorporating the dynamics contact model. The simulations of a single phase flow for the absolute permeability showed a good agreement with the literature benchmark. Subsequently, the code is used to simulate a two-phase flow consisting of a polymer solution, displaying a shear-thinning power law viscosity. The simulations enable to access the impact of the consistency factor (K), the behavior index (n), along with the two contact angles (advancing and receding) on the relative permeability.

Application of lab derived kinetic biodegradation parameters at the field scale

NASA Astrophysics Data System (ADS)

Schirmer, M.; Barker, J. F.; Butler, B. J.; Frind, E. O.

2003-04-01

Estimating the intrinsic remediation potential of an aquifer typically requires the accurate assessment of the biodegradation kinetics, the level of available electron acceptors and the flow field. Zero- and first-order degradation rates derived at the laboratory scale generally overpredict the rate of biodegradation when applied to the field scale, because limited electron acceptor availability and microbial growth are typically not considered. On the other hand, field estimated zero- and first-order rates are often not suitable to forecast plume development because they may be an oversimplification of the processes at the field scale and ignore several key processes, phenomena and characteristics of the aquifer. This study uses the numerical model BIO3D to link the laboratory and field scale by applying laboratory derived Monod kinetic degradation parameters to simulate a dissolved gasoline field experiment at Canadian Forces Base (CFB) Borden. All additional input parameters were derived from laboratory and field measurements or taken from the literature. The simulated results match the experimental results reasonably well without having to calibrate the model. An extensive sensitivity analysis was performed to estimate the influence of the most uncertain input parameters and to define the key controlling factors at the field scale. It is shown that the most uncertain input parameters have only a minor influence on the simulation results. Furthermore it is shown that the flow field, the amount of electron acceptor (oxygen) available and the Monod kinetic parameters have a significant influence on the simulated results. Under the field conditions modelled and the assumptions made for the simulations, it can be concluded that laboratory derived Monod kinetic parameters can adequately describe field scale degradation processes, if all controlling factors are incorporated in the field scale modelling that are not necessarily observed at the lab scale. In this way, there are no scale relationships to be found that link the laboratory and the field scale, accurately incorporating the additional processes, phenomena and characteristics, such as a) advective and dispersive transport of one or more contaminants, b) advective and dispersive transport and availability of electron acceptors, c) mass transfer limitations and d) spatial heterogeneities, at the larger scale and applying well defined lab scale parameters should accurately describe field scale processes.

Scale-Similar Models for Large-Eddy Simulations

NASA Technical Reports Server (NTRS)

Sarghini, F.

1999-01-01

Scale-similar models employ multiple filtering operations to identify the smallest resolved scales, which have been shown to be the most active in the interaction with the unresolved subgrid scales. They do not assume that the principal axes of the strain-rate tensor are aligned with those of the subgrid-scale stress (SGS) tensor, and allow the explicit calculation of the SGS energy. They can provide backscatter in a numerically stable and physically realistic manner, and predict SGS stresses in regions that are well correlated with the locations where large Reynolds stress occurs. In this paper, eddy viscosity and mixed models, which include an eddy-viscosity part as well as a scale-similar contribution, are applied to the simulation of two flows, a high Reynolds number plane channel flow, and a three-dimensional, nonequilibrium flow. The results show that simulations without models or with the Smagorinsky model are unable to predict nonequilibrium effects. Dynamic models provide an improvement of the results: the adjustment of the coefficient results in more accurate prediction of the perturbation from equilibrium. The Lagrangian-ensemble approach [Meneveau et al., J. Fluid Mech. 319, 353 (1996)] is found to be very beneficial. Models that included a scale-similar term and a dissipative one, as well as the Lagrangian ensemble averaging, gave results in the best agreement with the direct simulation and experimental data.

Multi-scale gyrokinetic simulations: Comparison with experiment and implications for predicting turbulence and transport

NASA Astrophysics Data System (ADS)

Howard, N. T.; Holland, C.; White, A. E.; Greenwald, M.; Candy, J.; Creely, A. J.

2016-05-01

To better understand the role of cross-scale coupling in experimental conditions, a series of multi-scale gyrokinetic simulations were performed on Alcator C-Mod, L-mode plasmas. These simulations, performed using all experimental inputs and realistic ion to electron mass ratio ((mi/me)1/2 = 60.0), simultaneously capture turbulence at the ion ( kθρs˜O (1.0 ) ) and electron-scales ( kθρe˜O (1.0 ) ). Direct comparison with experimental heat fluxes and electron profile stiffness indicates that Electron Temperature Gradient (ETG) streamers and strong cross-scale turbulence coupling likely exist in both of the experimental conditions studied. The coupling between ion and electron-scales exists in the form of energy cascades, modification of zonal flow dynamics, and the effective shearing of ETG turbulence by long wavelength, Ion Temperature Gradient (ITG) turbulence. The tightly coupled nature of ITG and ETG turbulence in these realistic plasma conditions is shown to have significant implications for the interpretation of experimental transport and fluctuations. Initial attempts are made to develop a "rule of thumb" based on linear physics, to help predict when cross-scale coupling plays an important role and to inform future modeling of experimental discharges. The details of the simulations, comparisons with experimental measurements, and implications for both modeling and experimental interpretation are discussed.

The role of zonal flows in the saturation of multi-scale gyrokinetic turbulence

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

Staebler, G. M.; Candy, J.; Howard, N. T.

2016-06-15

The 2D spectrum of the saturated electric potential from gyrokinetic turbulence simulations that include both ion and electron scales (multi-scale) in axisymmetric tokamak geometry is analyzed. The paradigm that the turbulence is saturated when the zonal (axisymmetic) ExB flow shearing rate competes with linear growth is shown to not apply to the electron scale turbulence. Instead, it is the mixing rate by the zonal ExB velocity spectrum with the turbulent distribution function that competes with linear growth. A model of this mechanism is shown to be able to capture the suppression of electron-scale turbulence by ion-scale turbulence and the thresholdmore » for the increase in electron scale turbulence when the ion-scale turbulence is reduced. The model computes the strength of the zonal flow velocity and the saturated potential spectrum from the linear growth rate spectrum. The model for the saturated electric potential spectrum is applied to a quasilinear transport model and shown to accurately reproduce the electron and ion energy fluxes of the non-linear gyrokinetic multi-scale simulations. The zonal flow mixing saturation model is also shown to reproduce the non-linear upshift in the critical temperature gradient caused by zonal flows in ion-scale gyrokinetic simulations.« less

Effect of helicity on the correlation time of large scales in turbulent flows

NASA Astrophysics Data System (ADS)

Cameron, Alexandre; Alexakis, Alexandros; Brachet, Marc-Étienne

2017-11-01

Solutions of the forced Navier-Stokes equation have been conjectured to thermalize at scales larger than the forcing scale, similar to an absolute equilibrium obtained for the spectrally truncated Euler equation. Using direct numeric simulations of Taylor-Green flows and general-periodic helical flows, we present results on the probability density function, energy spectrum, autocorrelation function, and correlation time that compare the two systems. In the case of highly helical flows, we derive an analytic expression describing the correlation time for the absolute equilibrium of helical flows that is different from the E-1 /2k-1 scaling law of weakly helical flows. This model predicts a new helicity-based scaling law for the correlation time as τ (k ) ˜H-1 /2k-1 /2 . This scaling law is verified in simulations of the truncated Euler equation. In simulations of the Navier-Stokes equations the large-scale modes of forced Taylor-Green symmetric flows (with zero total helicity and large separation of scales) follow the same properties as absolute equilibrium including a τ (k ) ˜E-1 /2k-1 scaling for the correlation time. General-periodic helical flows also show similarities between the two systems; however, the largest scales of the forced flows deviate from the absolute equilibrium solutions.

Global Magnetosphere Modeling With Kinetic Treatment of Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Toth, G.; Chen, Y.; Gombosi, T. I.; Cassak, P.; Markidis, S.; Peng, B.; Henderson, M. G.

2017-12-01

Global magnetosphere simulations with a kinetic treatment of magnetic reconnection are very challenging because of the large separation of global and kinetic scales. We have developed two algorithms that can overcome these difficulties: 1) the two-way coupling of the global magnetohydrodynamic code with an embedded particle-in-cell model (MHD-EPIC) and 2) the artificial increase of the ion and electron kinetic scales. Both of these techniques improve the efficiency of the simulations by many orders of magnitude. We will describe the techniques and show that they provide correct and meaningful results. Using the coupled model and the increased kinetic scales, we will present global magnetosphere simulations with the PIC domains covering the dayside and/or tail reconnection sites. The simulation results will be compared to and validated with MMS observations.

Reversible Parallel Discrete-Event Execution of Large-scale Epidemic Outbreak Models

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

Perumalla, Kalyan S; Seal, Sudip K

2010-01-01

The spatial scale, runtime speed and behavioral detail of epidemic outbreak simulations together require the use of large-scale parallel processing. In this paper, an optimistic parallel discrete event execution of a reaction-diffusion simulation model of epidemic outbreaks is presented, with an implementation over themore » $$\\mu$$sik simulator. Rollback support is achieved with the development of a novel reversible model that combines reverse computation with a small amount of incremental state saving. Parallel speedup and other runtime performance metrics of the simulation are tested on a small (8,192-core) Blue Gene / P system, while scalability is demonstrated on 65,536 cores of a large Cray XT5 system. Scenarios representing large population sizes (up to several hundred million individuals in the largest case) are exercised.« less

Realistic wave-optics simulation of X-ray phase-contrast imaging at a human scale

PubMed Central

Sung, Yongjin; Segars, W. Paul; Pan, Adam; Ando, Masami; Sheppard, Colin J. R.; Gupta, Rajiv

2015-01-01

X-ray phase-contrast imaging (XPCI) can dramatically improve soft tissue contrast in X-ray medical imaging. Despite worldwide efforts to develop novel XPCI systems, a numerical framework to rigorously predict the performance of a clinical XPCI system at a human scale is not yet available. We have developed such a tool by combining a numerical anthropomorphic phantom defined with non-uniform rational B-splines (NURBS) and a wave optics-based simulator that can accurately capture the phase-contrast signal from a human-scaled numerical phantom. Using a synchrotron-based, high-performance XPCI system, we provide qualitative comparison between simulated and experimental images. Our tool can be used to simulate the performance of XPCI on various disease entities and compare proposed XPCI systems in an unbiased manner. PMID:26169570

Realistic wave-optics simulation of X-ray phase-contrast imaging at a human scale

NASA Astrophysics Data System (ADS)

Sung, Yongjin; Segars, W. Paul; Pan, Adam; Ando, Masami; Sheppard, Colin J. R.; Gupta, Rajiv

2015-07-01

X-ray phase-contrast imaging (XPCI) can dramatically improve soft tissue contrast in X-ray medical imaging. Despite worldwide efforts to develop novel XPCI systems, a numerical framework to rigorously predict the performance of a clinical XPCI system at a human scale is not yet available. We have developed such a tool by combining a numerical anthropomorphic phantom defined with non-uniform rational B-splines (NURBS) and a wave optics-based simulator that can accurately capture the phase-contrast signal from a human-scaled numerical phantom. Using a synchrotron-based, high-performance XPCI system, we provide qualitative comparison between simulated and experimental images. Our tool can be used to simulate the performance of XPCI on various disease entities and compare proposed XPCI systems in an unbiased manner.

Assessment of the relationship between chlorophyll fluorescence and photosynthesis across scales from measurements and simulations

NASA Astrophysics Data System (ADS)

Zhang, Y.; Guanter, L.; Berry, J. A.; Tol, C. V. D.

2016-12-01

Solar-induced chlorophyll fluorescence (SIF) is a novel optical tool for assessment of terrestrial photosynthesis (GPP). Recent work have shown the strong link between GPP and satellite retrievals of SIF at broad scales. However, critical gaps remain between short term small-scale mechanistic understanding and seasonal global observations. In this presentation, we provide a model-based analysis of the relationship between SIF and GPP across scales for diverse vegetation types and a range of meteorological conditions, with the ultimate focus on reproducing the environmental conditions during remote sensing measurements. The coupled fluorescence-photosynthesis model SCOPE is used to simulate GPP and SIF at the both leaf and canopy levels for 13 flux sites. Analyses were conducted to investigate the effects of temporal scaling, canopy structure, overpass time, and spectral domain on the relationship between SIF and GPP. The simulated SIF is highly non-linear with GPP at the leaf level and instantaneous time scale and tends to linearize when scaling to the canopy level and daily to seasonal scales. These relationships are consistent across a wide range of vegetation types. The relationship between SIF and GPP is primarily driven by absorbed photosynthetically active radiation (APAR), especially at the seasonal scale, although the photosynthetic efficiency also contributes to strengthen the link between them. The linearization of their relationship from leaf to canopy and averaging over time is because the overall conditions of the canopy fall within the range of the linear responses of GPP and SIF to light and the photosynthetic capacity. Our results further show that the top-of-canopy relationships between simulated SIF and GPP have similar linearity regardless of whether we used the morning or midday satellite overpass times. These findings are confirmed by field measurements. In addition, the simulated red SIF at 685 nm has a similar relationship with GPP as that of far-red SIF at 740 nm at the canopy level.

IMPLEMENTATION OF AN URBAN CANOPY PARAMETERIZATION FOR FINE-SCALE SIMULATIONS

EPA Science Inventory

The Pennsylvania State University/National Center for Atmospheric Research Mesoscale Model (MM5) (Grell et al. 1994) has been modified to include an urban canopy parameterization (UCP) for fine-scale urban simulations ( 1 - km horizontal grid spacing ). The UCP accounts for dr...

Intercomparison of 3D pore-scale flow and solute transport simulation methods

DOE PAGES

Mehmani, Yashar; Schoenherr, Martin; Pasquali, Andrea; ...

2015-09-28

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This paper provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less

Intercomparison of 3D pore-scale flow and solute transport simulation methods

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

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less

Simulating Biomass Fast Pyrolysis at the Single Particle Scale

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

Ciesielski, Peter; Wiggins, Gavin; Daw, C Stuart

2017-07-01

Simulating fast pyrolysis at the scale of single particles allows for the investigation of the impacts of feedstock-specific parameters such as particle size, shape, and species of origin. For this reason particle-scale modeling has emerged as an important tool for understanding how variations in feedstock properties affect the outcomes of pyrolysis processes. The origins of feedstock properties are largely dictated by the composition and hierarchical structure of biomass, from the microstructural porosity to the external morphology of milled particles. These properties may be accounted for in simulations of fast pyrolysis by several different computational approaches depending on the level ofmore » structural and chemical complexity included in the model. The predictive utility of particle-scale simulations of fast pyrolysis can still be enhanced substantially by advancements in several areas. Most notably, considerable progress would be facilitated by the development of pyrolysis kinetic schemes that are decoupled from transport phenomena, predict product evolution from whole-biomass with increased chemical speciation, and are still tractable with present-day computational resources.« less

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

Roehm, Dominic; Pavel, Robert S.; Barros, Kipton

We present an adaptive sampling method supplemented by a distributed database and a prediction method for multiscale simulations using the Heterogeneous Multiscale Method. A finite-volume scheme integrates the macro-scale conservation laws for elastodynamics, which are closed by momentum and energy fluxes evaluated at the micro-scale. In the original approach, molecular dynamics (MD) simulations are launched for every macro-scale volume element. Our adaptive sampling scheme replaces a large fraction of costly micro-scale MD simulations with fast table lookup and prediction. The cloud database Redis provides the plain table lookup, and with locality aware hashing we gather input data for our predictionmore » scheme. For the latter we use kriging, which estimates an unknown value and its uncertainty (error) at a specific location in parameter space by using weighted averages of the neighboring points. We find that our adaptive scheme significantly improves simulation performance by a factor of 2.5 to 25, while retaining high accuracy for various choices of the algorithm parameters.« less

On the influences of key modelling constants of large eddy simulations for large-scale compartment fires predictions

NASA Astrophysics Data System (ADS)

Yuen, Anthony C. Y.; Yeoh, Guan H.; Timchenko, Victoria; Cheung, Sherman C. P.; Chan, Qing N.; Chen, Timothy

2017-09-01

An in-house large eddy simulation (LES) based fire field model has been developed for large-scale compartment fire simulations. The model incorporates four major components, including subgrid-scale turbulence, combustion, soot and radiation models which are fully coupled. It is designed to simulate the temporal and fluid dynamical effects of turbulent reaction flow for non-premixed diffusion flame. Parametric studies were performed based on a large-scale fire experiment carried out in a 39-m long test hall facility. Several turbulent Prandtl and Schmidt numbers ranging from 0.2 to 0.5, and Smagorinsky constants ranging from 0.18 to 0.23 were investigated. It was found that the temperature and flow field predictions were most accurate with turbulent Prandtl and Schmidt numbers of 0.3, respectively, and a Smagorinsky constant of 0.2 applied. In addition, by utilising a set of numerically verified key modelling parameters, the smoke filling process was successfully captured by the present LES model.

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations.

PubMed

Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele

2016-12-07

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.

Turbulence dissipation challenge: particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Roytershteyn, V.; Karimabadi, H.; Omelchenko, Y.; Germaschewski, K.

2015-12-01

We discuss application of three particle in cell (PIC) codes to the problems relevant to turbulence dissipation challenge. VPIC is a fully kinetic code extensively used to study a variety of diverse problems ranging from laboratory plasmas to astrophysics. PSC is a flexible fully kinetic code offering a variety of algorithms that can be advantageous to turbulence simulations, including high order particle shapes, dynamic load balancing, and ability to efficiently run on Graphics Processing Units (GPUs). Finally, HYPERS is a novel hybrid (kinetic ions+fluid electrons) code, which utilizes asynchronous time advance and a number of other advanced algorithms. We present examples drawn both from large-scale turbulence simulations and from the test problems outlined by the turbulence dissipation challenge. Special attention is paid to such issues as the small-scale intermittency of inertial range turbulence, mode content of the sub-proton range of scales, the formation of electron-scale current sheets and the role of magnetic reconnection, as well as numerical challenges of applying PIC codes to simulations of astrophysical turbulence.

Distributed database kriging for adaptive sampling (D²KAS)

DOE PAGES

Roehm, Dominic; Pavel, Robert S.; Barros, Kipton; ...

2015-03-18

We present an adaptive sampling method supplemented by a distributed database and a prediction method for multiscale simulations using the Heterogeneous Multiscale Method. A finite-volume scheme integrates the macro-scale conservation laws for elastodynamics, which are closed by momentum and energy fluxes evaluated at the micro-scale. In the original approach, molecular dynamics (MD) simulations are launched for every macro-scale volume element. Our adaptive sampling scheme replaces a large fraction of costly micro-scale MD simulations with fast table lookup and prediction. The cloud database Redis provides the plain table lookup, and with locality aware hashing we gather input data for our predictionmore » scheme. For the latter we use kriging, which estimates an unknown value and its uncertainty (error) at a specific location in parameter space by using weighted averages of the neighboring points. We find that our adaptive scheme significantly improves simulation performance by a factor of 2.5 to 25, while retaining high accuracy for various choices of the algorithm parameters.« less

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations

NASA Astrophysics Data System (ADS)

Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele

2016-12-01

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.

Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.

PubMed

Sultan, Mohammad M; Kiss, Gert; Shukla, Diwakar; Pande, Vijay S

2014-12-09

Given the large number of crystal structures and NMR ensembles that have been solved to date, classical molecular dynamics (MD) simulations have become powerful tools in the atomistic study of the kinetics and thermodynamics of biomolecular systems on ever increasing time scales. By virtue of the high-dimensional conformational state space that is explored, the interpretation of large-scale simulations faces difficulties not unlike those in the big data community. We address this challenge by introducing a method called clustering based feature selection (CB-FS) that employs a posterior analysis approach. It combines supervised machine learning (SML) and feature selection with Markov state models to automatically identify the relevant degrees of freedom that separate conformational states. We highlight the utility of the method in the evaluation of large-scale simulations and show that it can be used for the rapid and automated identification of relevant order parameters involved in the functional transitions of two exemplary cell-signaling proteins central to human disease states.

The mechanical design and simulation of a scaled H{sup −} Penning ion source

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

Rutter, T., E-mail: theo.rutter@stfc.ac.uk; Faircloth, D.; Turner, D.

2016-02-15

The existing ISIS Penning H{sup −} source is unable to produce the beam parameters required for the front end test stand and so a new, high duty factor, high brightness scaled source is being developed. This paper details first the development of an electrically biased aperture plate for the existing ISIS source and second, the design, simulation, and development of a prototype scaled source.

Quantitative analysis of voids in percolating structures in two-dimensional N-body simulations

NASA Technical Reports Server (NTRS)

Harrington, Patrick M.; Melott, Adrian L.; Shandarin, Sergei F.

1993-01-01

We present in this paper a quantitative method for defining void size in large-scale structure based on percolation threshold density. Beginning with two-dimensional gravitational clustering simulations smoothed to the threshold of nonlinearity, we perform percolation analysis to determine the large scale structure. The resulting objective definition of voids has a natural scaling property, is topologically interesting, and can be applied immediately to redshift surveys.

Performance of an MPI-only semiconductor device simulator on a quad socket/quad core InfiniBand platform.

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

Shadid, John Nicolas; Lin, Paul Tinphone

2009-01-01

This preliminary study considers the scaling and performance of a finite element (FE) semiconductor device simulator on a capacity cluster with 272 compute nodes based on a homogeneous multicore node architecture utilizing 16 cores. The inter-node communication backbone for this Tri-Lab Linux Capacity Cluster (TLCC) machine is comprised of an InfiniBand interconnect. The nonuniform memory access (NUMA) nodes consist of 2.2 GHz quad socket/quad core AMD Opteron processors. The performance results for this study are obtained with a FE semiconductor device simulation code (Charon) that is based on a fully-coupled Newton-Krylov solver with domain decomposition and multilevel preconditioners. Scaling andmore » multicore performance results are presented for large-scale problems of 100+ million unknowns on up to 4096 cores. A parallel scaling comparison is also presented with the Cray XT3/4 Red Storm capability platform. The results indicate that an MPI-only programming model for utilizing the multicore nodes is reasonably efficient on all 16 cores per compute node. However, the results also indicated that the multilevel preconditioner, which is critical for large-scale capability type simulations, scales better on the Red Storm machine than the TLCC machine.« less

Mesoscale Effective Property Simulations Incorporating Conductive Binder

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

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Mesoscale Effective Property Simulations Incorporating Conductive Binder

DOE PAGES

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.; ...

2017-07-26

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Unveiling the Role of the Magnetic Field at the Smallest Scales of Star Formation

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

Hull, Charles L. H.; Mocz, Philip; Burkhart, Blakesley

We report Atacama Large Millimeter/submillimeter Array (ALMA) observations of polarized dust emission from the protostellar source Ser-emb 8 at a linear resolution of 140 au. Assuming models of dust-grain alignment hold, the observed polarization pattern gives a projected view of the magnetic field structure in this source. Contrary to expectations based on models of strongly magnetized star formation, the magnetic field in Ser-emb 8 does not exhibit an hourglass morphology. Combining the new ALMA data with previous observational studies, we can connect magnetic field structure from protostellar core (∼80,000 au) to disk (∼100 au) scales. We compare our observations withmore » four magnetohydrodynamic gravo-turbulence simulations made with the AREPO code that have initial conditions ranging from super-Alfvénic (weakly magnetized) to sub-Alfvénic (strongly magnetized). These simulations achieve the spatial dynamic range necessary to resolve the collapse of protostars from the parsec scale of star-forming clouds down to the ∼100 au scale probed by ALMA. Only in the very strongly magnetized simulation do we see both the preservation of the field direction from cloud to disk scales and an hourglass-shaped field at <1000 au scales. We conduct an analysis of the relative orientation of the magnetic field and the density structure in both the Ser-emb 8 ALMA observations and the synthetic observations of the four AREPO simulations. We conclude that the Ser-emb 8 data are most similar to the weakly magnetized simulations, which exhibit random alignment, in contrast to the strongly magnetized simulation, where the magnetic field plays a role in shaping the density structure in the source. In the weak-field case, it is turbulence—not the magnetic field—that shapes the material that forms the protostar, highlighting the dominant role that turbulence can play across many orders of magnitude in spatial scale.« less

HRLSim: a high performance spiking neural network simulator for GPGPU clusters.

PubMed

Minkovich, Kirill; Thibeault, Corey M; O'Brien, Michael John; Nogin, Aleksey; Cho, Youngkwan; Srinivasa, Narayan

2014-02-01

Modeling of large-scale spiking neural models is an important tool in the quest to understand brain function and subsequently create real-world applications. This paper describes a spiking neural network simulator environment called HRL Spiking Simulator (HRLSim). This simulator is suitable for implementation on a cluster of general purpose graphical processing units (GPGPUs). Novel aspects of HRLSim are described and an analysis of its performance is provided for various configurations of the cluster. With the advent of inexpensive GPGPU cards and compute power, HRLSim offers an affordable and scalable tool for design, real-time simulation, and analysis of large-scale spiking neural networks.

Testing new approaches to carbonate system simulation at the reef scale: the ReefSam model first results, application to a question in reef morphology and future challenges.

NASA Astrophysics Data System (ADS)

Barrett, Samuel; Webster, Jody

2016-04-01

Numerical simulation of the stratigraphy and sedimentology of carbonate systems (carbonate forward stratigraphic modelling - CFSM) provides significant insight into the understanding of both the physical nature of these systems and the processes which control their development. It also provides the opportunity to quantitatively test conceptual models concerning stratigraphy, sedimentology or geomorphology, and allows us to extend our knowledge either spatially (e.g. between bore holes) or temporally (forwards or backwards in time). The later is especially important in determining the likely future development of carbonate systems, particularly regarding the effects of climate change. This application, by its nature, requires successful simulation of carbonate systems on short time scales and at high spatial resolutions. Previous modelling attempts have typically focused on the scales of kilometers and kilo-years or greater (the scale of entire carbonate platforms), rather than at the scale of centuries or decades, and tens to hundreds of meters (the scale of individual reefs). Previous work has identified limitations in common approaches to simulating important reef processes. We present a new CFSM, Reef Sedimentary Accretion Model (ReefSAM), which is designed to test new approaches to simulating reef-scale processes, with the aim of being able to better simulate the past and future development of coral reefs. Four major features have been tested: 1. A simulation of wave based hydrodynamic energy with multiple simultaneous directions and intensities including wave refraction, interaction, and lateral sheltering. 2. Sediment transport simulated as sediment being moved from cell to cell in an iterative fashion until complete deposition. 3. A coral growth model including consideration of local wave energy and composition of the basement substrate (as well as depth). 4. A highly quantitative model testing approach where dozens of output parameters describing the reef morphology and development are compared with observational data. Despite being a test-bed and work in progress, ReefSAM was able to simulate the Holocene development of One Tree Reef in the Southern Great Barrier Reef (Australia) and was able to improve upon previous modelling attempts in terms of both quantitative measures and qualitative outputs, such as the presence of previously un-simulated reef features. Given the success of the model in simulating the Holocene development of OTR, we used it to quantitatively explore the effect of basement substrate depth and morphology on reef maturity/lagoonal filling (as discussed by Purdy and Gischer 2005). Initial results show a number of non-linear relationships between basement substrate depth, lagoonal filling and volume of sand produced on the reef rims and deposited in the lagoon. Lastly, further testing of the model has revealed new challenges which are likely to manifest in any attempt at reef-scale simulation. Subtly different sets of energy direction and magnitude input parameters (different in each time step but with identical probability distributions across the entire model run) resulted in a wide range of quantitative model outputs. Time step length is a likely contributing factor and the results of further testing to address this challenge will be presented.

ESiWACE: A Center of Excellence for HPC applications to support cloud resolving earth system modelling

NASA Astrophysics Data System (ADS)

Biercamp, Joachim; Adamidis, Panagiotis; Neumann, Philipp

2017-04-01

With the exa-scale era approaching, length and time scales used for climate research on one hand and numerical weather prediction on the other hand blend into each other. The Centre of Excellence in Simulation of Weather and Climate in Europe (ESiWACE) represents a European consortium comprising partners from climate, weather and HPC in their effort to address key scientific challenges that both communities have in common. A particular challenge is to reach global models with spatial resolutions that allow simulating convective clouds and small-scale ocean eddies. These simulations would produce better predictions of trends and provide much more fidelity in the representation of high-impact regional events. However, running such models in operational mode, i.e with sufficient throughput in ensemble mode clearly will require exa-scale computing and data handling capability. We will discuss the ESiWACE initiative and relate it to work-in-progress on high-resolution simulations in Europe. We present recent strong scalability measurements from ESiWACE to demonstrate current computability in weather and climate simulation. A special focus in this particular talk is on the Icosahedal Nonhydrostatic (ICON) model used for a comparison of high resolution regional and global simulations with high quality observation data. We demonstrate that close-to-optimal parallel efficiency can be achieved in strong scaling global resolution experiments on Mistral/DKRZ, e.g. 94% for 5km resolution simulations using 36k cores on Mistral/DKRZ. Based on our scalability and high-resolution experiments, we deduce and extrapolate future capabilities for ICON that are expected for weather and climate research at exascale.

Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-10-01

A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System. The simulator is designed for running on parellel computers and distributed (networked) computer systems, but ca...

Two-Scale Simulation of Drop-Induced Failure of Polysilicon MEMS Sensors

PubMed Central

Mariani, Stefano; Ghisi, Aldo; Corigliano, Alberto; Martini, Roberto; Simoni, Barbara

2011-01-01

In this paper, an industrially-oriented two-scale approach is provided to model the drop-induced brittle failure of polysilicon MEMS sensors. The two length-scales here investigated are the package (macroscopic) and the sensor (mesoscopic) ones. Issues related to the polysilicon morphology at the micro-scale are disregarded; an upscaled homogenized constitutive law, able to describe the brittle cracking of silicon, is instead adopted at the meso-scale. The two-scale approach is validated against full three-scale Monte-Carlo simulations, which allow for stochastic effects linked to the microstructural properties of polysilicon. Focusing on inertial MEMS sensors exposed to drops, it is shown that the offered approach matches well the experimentally observed failure mechanisms. PMID:22163885

Evaluation of a 40 to 1 scale model of a low pressure engine

NASA Technical Reports Server (NTRS)

Cooper, C. E., Jr.; Thoenes, J.

1972-01-01

An evaluation of a scale model of a low pressure rocket engine which is used for secondary injection studies was conducted. Specific objectives of the evaluation were to: (1) assess the test conditions required for full scale simulations; (2) recommend fluids to be used for both primary and secondary flows; and (3) recommend possible modifications to be made to the scale model and its test facility to achieve the highest possible degree of simulation. A discussion of the theoretical and empirical scaling laws which must be observed to apply scale model test data to full scale systems is included. A technique by which the side forces due to secondary injection can be analytically estimated is presented.

Hybrid Reynolds-Averaged/Large Eddy Simulation of a Cavity Flameholder; Assessment of Modeling Sensitivities

NASA Technical Reports Server (NTRS)

Baurle, R. A.

2015-01-01

Steady-state and scale-resolving simulations have been performed for flow in and around a model scramjet combustor flameholder. The cases simulated corresponded to those used to examine this flowfield experimentally using particle image velocimetry. A variety of turbulence models were used for the steady-state Reynolds-averaged simulations which included both linear and non-linear eddy viscosity models. The scale-resolving simulations used a hybrid Reynolds-averaged / large eddy simulation strategy that is designed to be a large eddy simulation everywhere except in the inner portion (log layer and below) of the boundary layer. Hence, this formulation can be regarded as a wall-modeled large eddy simulation. This effort was undertaken to formally assess the performance of the hybrid Reynolds-averaged / large eddy simulation modeling approach in a flowfield of interest to the scramjet research community. The numerical errors were quantified for both the steady-state and scale-resolving simulations prior to making any claims of predictive accuracy relative to the measurements. The steady-state Reynolds-averaged results showed a high degree of variability when comparing the predictions obtained from each turbulence model, with the non-linear eddy viscosity model (an explicit algebraic stress model) providing the most accurate prediction of the measured values. The hybrid Reynolds-averaged/large eddy simulation results were carefully scrutinized to ensure that even the coarsest grid had an acceptable level of resolution for large eddy simulation, and that the time-averaged statistics were acceptably accurate. The autocorrelation and its Fourier transform were the primary tools used for this assessment. The statistics extracted from the hybrid simulation strategy proved to be more accurate than the Reynolds-averaged results obtained using the linear eddy viscosity models. However, there was no predictive improvement noted over the results obtained from the explicit Reynolds stress model. Fortunately, the numerical error assessment at most of the axial stations used to compare with measurements clearly indicated that the scale-resolving simulations were improving (i.e. approaching the measured values) as the grid was refined. Hence, unlike a Reynolds-averaged simulation, the hybrid approach provides a mechanism to the end-user for reducing model-form errors.

Constraint methods that accelerate free-energy simulations of biomolecules.

PubMed

Perez, Alberto; MacCallum, Justin L; Coutsias, Evangelos A; Dill, Ken A

2015-12-28

Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann's law, so they can be used to compute populations, dynamics, and mechanisms. But physical simulations are computationally intensive and do not scale well to the sizes of many important biomolecules. One way to speed up physical simulations is by coarse-graining the potential function. Another way is to harness structural knowledge, often by imposing spring-like restraints. But harnessing external knowledge in physical simulations is problematic because knowledge, data, or hunches have errors, noise, and combinatoric uncertainties. Here, we review recent principled methods for imposing restraints to speed up physics-based molecular simulations that promise to scale to larger biomolecules and motions.

Adjoint-Based Aerodynamic Design of Complex Aerospace Configurations

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.

2016-01-01

An overview of twenty years of adjoint-based aerodynamic design research at NASA Langley Research Center is presented. Adjoint-based algorithms provide a powerful tool for efficient sensitivity analysis of complex large-scale computational fluid dynamics (CFD) simulations. Unlike alternative approaches for which computational expense generally scales with the number of design parameters, adjoint techniques yield sensitivity derivatives of a simulation output with respect to all input parameters at the cost of a single additional simulation. With modern large-scale CFD applications often requiring millions of compute hours for a single analysis, the efficiency afforded by adjoint methods is critical in realizing a computationally tractable design optimization capability for such applications.

From micro-scale 3D simulations to macro-scale model of periodic porous media

NASA Astrophysics Data System (ADS)

Crevacore, Eleonora; Tosco, Tiziana; Marchisio, Daniele; Sethi, Rajandrea; Messina, Francesca

2015-04-01

In environmental engineering, the transport of colloidal suspensions in porous media is studied to understand the fate of potentially harmful nano-particles and to design new remediation technologies. In this perspective, averaging techniques applied to micro-scale numerical simulations are a powerful tool to extrapolate accurate macro-scale models. Choosing two simplified packing configurations of soil grains and starting from a single elementary cell (module), it is possible to take advantage of the periodicity of the structures to reduce the computation costs of full 3D simulations. Steady-state flow simulations for incompressible fluid in laminar regime are implemented. Transport simulations are based on the pore-scale advection-diffusion equation, that can be enriched introducing also the Stokes velocity (to consider the gravity effect) and the interception mechanism. Simulations are carried on a domain composed of several elementary modules, that serve as control volumes in a finite volume method for the macro-scale method. The periodicity of the medium involves the periodicity of the flow field and this will be of great importance during the up-scaling procedure, allowing relevant simplifications. Micro-scale numerical data are treated in order to compute the mean concentration (volume and area averages) and fluxes on each module. The simulation results are used to compare the micro-scale averaged equation to the integral form of the macroscopic one, making a distinction between those terms that could be computed exactly and those for which a closure in needed. Of particular interest it is the investigation of the origin of macro-scale terms such as the dispersion and tortuosity, trying to describe them with micro-scale known quantities. Traditionally, to study the colloidal transport many simplifications are introduced, such those concerning ultra-simplified geometry that usually account for a single collector. Gradual removal of such hypothesis leads to a detailed description of colloidal transport mechanisms. Starting from nearly realistic 3D geometries, the ultimate purpose of this work is that of develop an improved understanding of the fate of colloidal particles through, for example, an accurate description of the deposition efficiency, in order design efficient remediation techniques. G. Boccardo, D.L. Marchisio, R.Sethi, Journal of colloid and interface science, Vol 417C, pp 227-237, 2014 M. Icardi, G. Boccardo, D.L. Marchisio, T. Tosco, R.Sethi, Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2014 S. Torkzaban, S.S. Tazehkand, S.L. Walker, S.A. Bradford, Water resources research, Vol 44, 2008 S.M. Hassanizadeh, Adv in Water Resources, Vol. 2, pp 131-144, 1979 S. Whitaker, AIChE Journal, Vol. 13 No. 3, pp 420-428, May 1967

Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX

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

Lee, Kibaek; Stewart, D. Scott, E-mail: santc@illinois.edu, E-mail: dss@illinois.edu; Joshi, Kaushik

2016-05-14

We present a mirrored atomistic and continuum framework that is used to describe the ignition of energetic materials, and a high-pressure phase of RDX in particular. The continuum formulation uses meaningful averages of thermodynamic properties obtained from the atomistic simulation and a simplification of enormously complex reaction kinetics. In particular, components are identified based on molecular weight bin averages and our methodology assumes that both the averaged atomistic and continuum simulations are represented on the same time and length scales. The atomistic simulations of thermally initiated ignition of RDX are performed using reactive molecular dynamics (RMD). The continuum model ismore » based on multi-component thermodynamics and uses a kinetics scheme that describes observed chemical changes of the averaged atomistic simulations. Thus the mirrored continuum simulations mimic the rapid change in pressure, temperature, and average molecular weight of species in the reactive mixture. This mirroring enables a new technique to simplify the chemistry obtained from reactive MD simulations while retaining the observed features and spatial and temporal scales from both the RMD and continuum model. The primary benefit of this approach is a potentially powerful, but familiar way to interpret the atomistic simulations and understand the chemical events and reaction rates. The approach is quite general and thus can provide a way to model chemistry based on atomistic simulations and extend the reach of those simulations.« less

A History of Full-Scale Aircraft and Rotorcraft Crash Testing and Simulation at NASA Langley Research Center

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Boitnott, Richard L.; Fasanella, Edwin L.; Jones, Lisa E.; Lyle, Karen H.

2004-01-01

This paper summarizes 2-1/2 decades of full-scale aircraft and rotorcraft crash testing performed at the Impact Dynamics Research Facility (IDRF) located at NASA Langley Research Center in Hampton, Virginia. The IDRF is a 240-ft.-high steel gantry that was built originally as a lunar landing simulator facility in the early 1960's. It was converted into a full-scale crash test facility for light aircraft and rotorcraft in the early 1970 s. Since the first full-scale crash test was preformed in February 1974, the IDRF has been used to conduct: 41 full-scale crash tests of General Aviation (GA) aircraft including landmark studies to establish baseline crash performance data for metallic and composite GA aircraft; 11 full-scale crash tests of helicopters including crash qualification tests of the Bell and Sikorsky Advanced Composite Airframe Program (ACAP) prototypes; 48 Wire Strike Protection System (WSPS) qualification tests of Army helicopters; 3 vertical drop tests of Boeing 707 transport aircraft fuselage sections; and, 60+ crash tests of the F-111 crew escape module. For some of these tests, nonlinear transient dynamic codes were utilized to simulate the impact response of the airframe. These simulations were performed to evaluate the capabilities of the analytical tools, as well as to validate the models through test-analysis correlation. In September 2003, NASA Langley closed the IDRF facility and plans are underway to demolish it in 2007. Consequently, it is important to document the contributions made to improve the crashworthiness of light aircraft and rotorcraft achieved through full-scale crash testing and simulation at the IDRF.

Scale Dependence of Land Atmosphere Interactions in Wet and Dry Regions as Simulated with NU-WRF over the Southwestern and Southeast US

NASA Technical Reports Server (NTRS)

Zhou, Yaping; Wu, Di; Lau, K.- M.; Tao, Wei-Kuo

2016-01-01

Large-scale forcing and land-atmosphere interactions on precipitation are investigated with NASA-Unified WRF (NU-WRF) simulations during fast transitions of ENSO phases from spring to early summer of 2010 and 2011. The model is found to capture major precipitation episodes in the 3-month simulations without resorting to nudging. However, the mean intensity of the simulated precipitation is underestimated by 46% and 57% compared with the observations in dry and wet regions in the southwestern and south-central United States, respectively. Sensitivity studies show that large-scale atmospheric forcing plays a major role in producing regional precipitation. A methodology to account for moisture contributions to individual precipitation events, as well as total precipitation, is presented under the same moisture budget framework. The analysis shows that the relative contributions of local evaporation and large-scale moisture convergence depend on the dry/wet regions and are a function of temporal and spatial scales. While the ratio of local and large-scale moisture contributions vary with domain size and weather system, evaporation provides a major moisture source in the dry region and during light rain events, which leads to greater sensitivity to soil moisture in the dry region and during light rain events. The feedback of land surface processes to large-scale forcing is well simulated, as indicated by changes in atmospheric circulation and moisture convergence. Overall, the results reveal an asymmetrical response of precipitation events to soil moisture, with higher sensitivity under dry than wet conditions. Drier soil moisture tends to suppress further existing below-normal precipitation conditions via a positive soil moisture-land surface flux feedback that could worsen drought conditions in the southwestern United States.

First results from the IllustrisTNG simulations: matter and galaxy clustering

NASA Astrophysics Data System (ADS)

Springel, Volker; Pakmor, Rüdiger; Pillepich, Annalisa; Weinberger, Rainer; Nelson, Dylan; Hernquist, Lars; Vogelsberger, Mark; Genel, Shy; Torrey, Paul; Marinacci, Federico; Naiman, Jill

2018-03-01

Hydrodynamical simulations of galaxy formation have now reached sufficient volume to make precision predictions for clustering on cosmologically relevant scales. Here, we use our new IllustrisTNG simulations to study the non-linear correlation functions and power spectra of baryons, dark matter, galaxies, and haloes over an exceptionally large range of scales. We find that baryonic effects increase the clustering of dark matter on small scales and damp the total matter power spectrum on scales up to k ˜ 10 h Mpc-1 by 20 per cent. The non-linear two-point correlation function of the stellar mass is close to a power-law over a wide range of scales and approximately invariant in time from very high redshift to the present. The two-point correlation function of the simulated galaxies agrees well with Sloan Digital Sky Survey at its mean redshift z ≃ 0.1, both as a function of stellar mass and when split according to galaxy colour, apart from a mild excess in the clustering of red galaxies in the stellar mass range of109-1010 h-2 M⊙. Given this agreement, the TNG simulations can make valuable theoretical predictions for the clustering bias of different galaxy samples. We find that the clustering length of the galaxy autocorrelation function depends strongly on stellar mass and redshift. Its power-law slope γ is nearly invariant with stellar mass, but declines from γ ˜ 1.8 at redshift z = 0 to γ ˜ 1.6 at redshift z ˜ 1, beyond which the slope steepens again. We detect significant scale dependences in the bias of different observational tracers of large-scale structure, extending well into the range of the baryonic acoustic oscillations and causing nominal (yet fortunately correctable) shifts of the acoustic peaks of around ˜ 5 per cent.

How well do terrestrial biosphere models simulate coarse-scale runoff in the contiguous United States?

DOE PAGES

Schwalm, C.; Huntzinger, Deborah N.; Cook, Robert B.; ...

2015-03-11

Significant changes in the water cycle are expected under current global environmental change. Robust assessment of present-day water cycle dynamics at continental to global scales is confounded by shortcomings in the observed record. Modeled assessments also yield conflicting results which are linked to differences in model structure and simulation protocol. Here we compare simulated gridded (1 spatial resolution) runoff from six terrestrial biosphere models (TBMs), seven reanalysis products, and one gridded surface station product in the contiguous United States (CONUS) from 2001 to 2005. We evaluate the consistency of these 14 estimates with stream gauge data, both as depleted flowmore » and corrected for net withdrawals (2005 only), at the CONUS and water resource region scale, as well as examining similarity across TBMs and reanalysis products at the grid cell scale. Mean runoff across all simulated products and regions varies widely (range: 71 to 356 mm yr(-1)) relative to observed continental-scale runoff (209 or 280 mm yr(-1) when corrected for net withdrawals). Across all 14 products 8 exhibit Nash-Sutcliffe efficiency values in excess of 0.8 and three are within 10% of the observed value. Region-level mismatch exhibits a weak pattern of overestimation in western and underestimation in eastern regions although two products are systematically biased across all regions and largely scales with water use. Although gridded composite TBM and reanalysis runoff show some regional similarities, individual product values are highly variable. At the coarse scales used here we find that progress in better constraining simulated runoff requires standardized forcing data and the explicit incorporation of human effects (e.g., water withdrawals by source, fire, and land use change). (C) 2015 Elsevier B.V. All rights reserved.« less

VISUALIZATION AND SIMULATION OF NON-AQUEOUS PHASE LIQUIDS SOLUBILIZATION IN PORE NETWORKS

EPA Science Inventory

The design of in-situ remediation of contaminated soils is mostly based on a description at the macroscopic scale using a averaged quantities. These cannot address issues at the pore and pore network scales. In this paper, visualization experiments and numerical simulations in ...

DEVELOPMENT OF CFD SIMULATION APPLICATIONS FOR LOCAL-SCALE AREAS AND POTENTIAL INTERFACE WITH MESOSCALE MODELS

EPA Science Inventory

The presentation summarizes developments of ongoing applications of fine-scale (geometry specific) CFD simulations to urban areas within atmospheric boundary layers. Enabling technology today and challenges for the future are discussed. There is a challenging need to develop a ...

STREAM TEMPERATURE SIMULATION OF FORESTED RIPARIAN AREAS: I. WATERSHED-SCALE MODEL DEVELOPMENT

EPA Science Inventory

To simulate stream temperatures on a watershed scale, shading dynamics of topography and riparian vegetation must be computed for estimating the amount of solar radiation that is actually absorbed by water for each stream reach. A series of computational procedures identifying th...

Simulating large-scale crop yield by using perturbed-parameter ensemble method

NASA Astrophysics Data System (ADS)

Iizumi, T.; Yokozawa, M.; Sakurai, G.; Nishimori, M.

2010-12-01

Toshichika Iizumi, Masayuki Yokozawa, Gen Sakurai, Motoki Nishimori Agro-Meteorology Division, National Institute for Agro-Environmental Sciences, Japan Abstract One of concerning issues of food security under changing climate is to predict the inter-annual variation of crop production induced by climate extremes and modulated climate. To secure food supply for growing world population, methodology that can accurately predict crop yield on a large scale is needed. However, for developing a process-based large-scale crop model with a scale of general circulation models (GCMs), 100 km in latitude and longitude, researchers encounter the difficulties in spatial heterogeneity of available information on crop production such as cultivated cultivars and management. This study proposed an ensemble-based simulation method that uses a process-based crop model and systematic parameter perturbation procedure, taking maize in U.S., China, and Brazil as examples. The crop model was developed modifying the fundamental structure of the Soil and Water Assessment Tool (SWAT) to incorporate the effect of heat stress on yield. We called the new model PRYSBI: the Process-based Regional-scale Yield Simulator with Bayesian Inference. The posterior probability density function (PDF) of 17 parameters, which represents the crop- and grid-specific features of the crop and its uncertainty under given data, was estimated by the Bayesian inversion analysis. We then take 1500 ensemble members of simulated yield values based on the parameter sets sampled from the posterior PDF to describe yearly changes of the yield, i.e. perturbed-parameter ensemble method. The ensemble median for 27 years (1980-2006) was compared with the data aggregated from the county yield. On a country scale, the ensemble median of the simulated yield showed a good correspondence with the reported yield: the Pearson’s correlation coefficient is over 0.6 for all countries. In contrast, on a grid scale, the correspondence is still high in most grids regardless of the countries. However, the model showed comparatively low reproducibility in the slope areas, such as around the Rocky Mountains in South Dakota, around the Great Xing'anling Mountains in Heilongjiang, and around the Brazilian Plateau. As there is a wide-ranging local climate conditions in the complex terrain, such as the slope of mountain, the GCM grid-scale weather inputs is likely one of major sources of error. The results of this study highlight the benefits of the perturbed-parameter ensemble method in simulating crop yield on a GCM grid scale: (1) the posterior PDF of parameter could quantify the uncertainty of parameter value of the crop model associated with the local crop production aspects; (2) the method can explicitly account for the uncertainty of parameter value in the crop model simulations; (3) the method achieve a Monte Carlo approximation of probability of sub-grid scale yield, accounting for the nonlinear response of crop yield to weather and management; (4) the method is therefore appropriate to aggregate the simulated sub-grid scale yields to a grid-scale yield and it may be a reason for high performance of the model in capturing inter-annual variation of yield.

Science based integrated approach to advanced nuclear fuel development - integrated multi-scale multi-physics hierarchical modeling and simulation framework Part III: cladding

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

Tome, Carlos N; Caro, J A; Lebensohn, R A

2010-01-01

Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Reactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems to develop predictive tools is critical. Not only are fabrication and performance models needed to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating themore » phase and microstructural behavior of the nuclear fuel system materials and matrices. In this paper we review the current status of the advanced modeling and simulation of nuclear reactor cladding, with emphasis on what is available and what is to be developed in each scale of the project, how we propose to pass information from one scale to the next, and what experimental information is required for benchmarking and advancing the modeling at each scale level.« less

Urban Flow and Pollutant Dispersion Simulation with Multi-scale coupling of Meteorological Model with Computational Fluid Dynamic Analysis

NASA Astrophysics Data System (ADS)

Liu, Yushi; Poh, Hee Joo

2014-11-01

The Computational Fluid Dynamics analysis has become increasingly important in modern urban planning in order to create highly livable city. This paper presents a multi-scale modeling methodology which couples Weather Research and Forecasting (WRF) Model with open source CFD simulation tool, OpenFOAM. This coupling enables the simulation of the wind flow and pollutant dispersion in urban built-up area with high resolution mesh. In this methodology meso-scale model WRF provides the boundary condition for the micro-scale CFD model OpenFOAM. The advantage is that the realistic weather condition is taken into account in the CFD simulation and complexity of building layout can be handled with ease by meshing utility of OpenFOAM. The result is validated against the Joint Urban 2003 Tracer Field Tests in Oklahoma City and there is reasonably good agreement between the CFD simulation and field observation. The coupling of WRF- OpenFOAM provide urban planners with reliable environmental modeling tool in actual urban built-up area; and it can be further extended with consideration of future weather conditions for the scenario studies on climate change impact.

Relationship between thermodynamic parameter and thermodynamic scaling parameter for orientational relaxation time for flip-flop motion of nematic liquid crystals.

PubMed

Satoh, Katsuhiko

2013-03-07

Thermodynamic parameter Γ and thermodynamic scaling parameter γ for low-frequency relaxation time, which characterize flip-flop motion in a nematic phase, were verified by molecular dynamics simulation with a simple potential based on the Maier-Saupe theory. The parameter Γ, which is the slope of the logarithm for temperature and volume, was evaluated under various conditions at a wide range of temperatures, pressures, and volumes. To simulate thermodynamic scaling so that experimental data at isobaric, isothermal, and isochoric conditions can be rescaled onto a master curve with the parameters for some liquid crystal (LC) compounds, the relaxation time was evaluated from the first-rank orientational correlation function in the simulations, and thermodynamic scaling was verified with the simple potential representing small clusters. A possibility of an equivalence relationship between Γ and γ determined from the relaxation time in the simulation was assessed with available data from the experiments and simulations. In addition, an argument was proposed for the discrepancy between Γ and γ for some LCs in experiments: the discrepancy arises from disagreement of the value of the order parameter P2 rather than the constancy of relaxation time τ1(*) on pressure.

Advances and issues from the simulation of planetary magnetospheres with recent supercomputer systems

NASA Astrophysics Data System (ADS)

Fukazawa, K.; Walker, R. J.; Kimura, T.; Tsuchiya, F.; Murakami, G.; Kita, H.; Tao, C.; Murata, K. T.

2016-12-01

Planetary magnetospheres are very large, while phenomena within them occur on meso- and micro-scales. These scales range from 10s of planetary radii to kilometers. To understand dynamics in these multi-scale systems, numerical simulations have been performed by using the supercomputer systems. We have studied the magnetospheres of Earth, Jupiter and Saturn by using 3-dimensional magnetohydrodynamic (MHD) simulations for a long time, however, we have not obtained the phenomena near the limits of the MHD approximation. In particular, we have not studied meso-scale phenomena that can be addressed by using MHD.Recently we performed our MHD simulation of Earth's magnetosphere by using the K-computer which is the first 10PFlops supercomputer and obtained multi-scale flow vorticity for the both northward and southward IMF. Furthermore, we have access to supercomputer systems which have Xeon, SPARC64, and vector-type CPUs and can compare simulation results between the different systems. Finally, we have compared the results of our parameter survey of the magnetosphere with observations from the HISAKI spacecraft.We have encountered a number of difficulties effectively using the latest supercomputer systems. First the size of simulation output increases greatly. Now a simulation group produces over 1PB of output. Storage and analysis of this much data is difficult. The traditional way to analyze simulation results is to move the results to the investigator's home computer. This takes over three months using an end-to-end 10Gbps network. In reality, there are problems at some nodes such as firewalls that can increase the transfer time to over one year. Another issue is post-processing. It is hard to treat a few TB of simulation output due to the memory limitations of a post-processing computer. To overcome these issues, we have developed and introduced the parallel network storage, the highly efficient network protocol and the CUI based visualization tools.In this study, we will show the latest simulation results using the petascale supercomputer and problems from the use of these supercomputer systems.

Large-scale expensive black-box function optimization

NASA Astrophysics Data System (ADS)

Rashid, Kashif; Bailey, William; Couët, Benoît

2012-09-01

This paper presents the application of an adaptive radial basis function method to a computationally expensive black-box reservoir simulation model of many variables. An iterative proxy-based scheme is used to tune the control variables, distributed for finer control over a varying number of intervals covering the total simulation period, to maximize asset NPV. The method shows that large-scale simulation-based function optimization of several hundred variables is practical and effective.

Development of the Transport Class Model (TCM) Aircraft Simulation From a Sub-Scale Generic Transport Model (GTM) Simulation

NASA Technical Reports Server (NTRS)

Hueschen, Richard M.

2011-01-01

A six degree-of-freedom, flat-earth dynamics, non-linear, and non-proprietary aircraft simulation was developed that is representative of a generic mid-sized twin-jet transport aircraft. The simulation was developed from a non-proprietary, publicly available, subscale twin-jet transport aircraft simulation using scaling relationships and a modified aerodynamic database. The simulation has an extended aerodynamics database with aero data outside the normal transport-operating envelope (large angle-of-attack and sideslip values). The simulation has representative transport aircraft surface actuator models with variable rate-limits and generally fixed position limits. The simulation contains a generic 40,000 lb sea level thrust engine model. The engine model is a first order dynamic model with a variable time constant that changes according to simulation conditions. The simulation provides a means for interfacing a flight control system to use the simulation sensor variables and to command the surface actuators and throttle position of the engine model.

Nonlinear plasma wave models in 3D fluid simulations of laser-plasma interaction

NASA Astrophysics Data System (ADS)

Chapman, Thomas; Berger, Richard; Arrighi, Bill; Langer, Steve; Banks, Jeffrey; Brunner, Stephan

2017-10-01

Simulations of laser-plasma interaction (LPI) in inertial confinement fusion (ICF) conditions require multi-mm spatial scales due to the typical laser beam size and durations of order 100 ps in order for numerical laser reflectivities to converge. To be computationally achievable, these scales necessitate a fluid-like treatment of light and plasma waves with a spatial grid size on the order of the light wave length. Plasma waves experience many nonlinear phenomena not naturally described by a fluid treatment, such as frequency shifts induced by trapping, a nonlinear (typically suppressed) Landau damping, and mode couplings leading to instabilities that can cause the plasma wave to decay rapidly. These processes affect the onset and saturation of stimulated Raman and Brillouin scattering, and are of direct interest to the modeling and prediction of deleterious LPI in ICF. It is not currently computationally feasible to simulate these Debye length-scale phenomena in 3D across experimental scales. Analytically-derived and/or numerically benchmarked models of processes occurring at scales finer than the fluid simulation grid offer a path forward. We demonstrate the impact of a range of kinetic processes on plasma reflectivity via models included in the LPI simulation code pF3D. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Pore-scale observation and 3D simulation of wettability effects on supercritical CO2 - brine immiscible displacement in drainage

NASA Astrophysics Data System (ADS)

Hu, R.; Wan, J.; Chen, Y.

2016-12-01

Wettability is a factor controlling the fluid-fluid displacement pattern in porous media and significantly affects the flow and transport of supercritical (sc) CO2 in geologic carbon sequestration. Using a high-pressure micromodel-microscopy system, we performed drainage experiments of scCO2 invasion into brine-saturated water-wet and intermediate-wet micromodels; we visualized the scCO2 invasion morphology at pore-scale under reservoir conditions. We also performed pore-scale numerical simulations of the Navier-Stokes equations to obtain 3D details of fluid-fluid displacement processes. Simulation results are qualitatively consistent with the experiments, showing wider scCO2 fingering, higher percentage of scCO2 and more compact displacement pattern in intermediate-wet micromodel. Through quantitative analysis based on pore-scale simulation, we found that the reduced wettability reduces the displacement front velocity, promotes the pore-filling events in the longitudinal direction, delays the breakthrough time of invading fluid, and then increases the displacement efficiency. Simulated results also show that the fluid-fluid interface area follows a unified power-law relation with scCO2 saturation, and show smaller interface area in intermediate-wet case which suppresses the mass transfer between the phases. These pore-scale results provide insights for the wettability effects on CO2 - brine immiscible displacement in geologic carbon sequestration.

Fluid-structure interaction simulation of floating structures interacting with complex, large-scale ocean waves and atmospheric turbulence with application to floating offshore wind turbines

NASA Astrophysics Data System (ADS)

Calderer, Antoni; Guo, Xin; Shen, Lian; Sotiropoulos, Fotis

2018-02-01

We develop a numerical method for simulating coupled interactions of complex floating structures with large-scale ocean waves and atmospheric turbulence. We employ an efficient large-scale model to develop offshore wind and wave environmental conditions, which are then incorporated into a high resolution two-phase flow solver with fluid-structure interaction (FSI). The large-scale wind-wave interaction model is based on a two-fluid dynamically-coupled approach that employs a high-order spectral method for simulating the water motion and a viscous solver with undulatory boundaries for the air motion. The two-phase flow FSI solver is based on the level set method and is capable of simulating the coupled dynamic interaction of arbitrarily complex bodies with airflow and waves. The large-scale wave field solver is coupled with the near-field FSI solver with a one-way coupling approach by feeding into the latter waves via a pressure-forcing method combined with the level set method. We validate the model for both simple wave trains and three-dimensional directional waves and compare the results with experimental and theoretical solutions. Finally, we demonstrate the capabilities of the new computational framework by carrying out large-eddy simulation of a floating offshore wind turbine interacting with realistic ocean wind and waves.

On simulating large earthquakes by Green's-function addition of smaller earthquakes

NASA Astrophysics Data System (ADS)

Joyner, William B.; Boore, David M.

Simulation of ground motion from large earthquakes has been attempted by a number of authors using small earthquakes (subevents) as Green's functions and summing them, generally in a random way. We present a simple model for the random summation of subevents to illustrate how seismic scaling relations can be used to constrain methods of summation. In the model η identical subevents are added together with their start times randomly distributed over the source duration T and their waveforms scaled by a factor κ. The subevents can be considered to be distributed on a fault with later start times at progressively greater distances from the focus, simulating the irregular propagation of a coherent rupture front. For simplicity the distance between source and observer is assumed large compared to the source dimensions of the simulated event. By proper choice of η and κ the spectrum of the simulated event deduced from these assumptions can be made to conform at both low- and high-frequency limits to any arbitrary seismic scaling law. For the ω -squared model with similarity (that is, with constant Moƒ3o scaling, where ƒo is the corner frequency), the required values are η = (Mo/Moe)4/3 and κ = (Mo/Moe)-1/3, where Mo is moment of the simulated event and Moe is the moment of the subevent. The spectra resulting from other choices of η and κ, will not conform at both high and low frequency. If η is determined by the ratio of the rupture area of the simulated event to that of the subevent and κ = 1, the simulated spectrum will conform at high frequency to the ω-squared model with similarity, but not at low frequency. Because the high-frequency part of the spectrum is generally the important part for engineering applications, however, this choice of values for η and κ may be satisfactory in many cases. If η is determined by the ratio of the moment of the simulated event to that of the subevent and κ = 1, the simulated spectrum will conform at low frequency to the ω-squared model with similarity, but not at high frequency. Interestingly, the high-frequency scaling implied by this latter choice of η and κ corresponds to an ω-squared model with constant Moƒ4o—a scaling law proposed by Nuttli, although questioned recently by Haar and others. Simple scaling with κ equal to unity and η equal to the moment ratio would work if the high-frequency spectral decay were ω-1.5 instead of ω-2. Just the required decay is exhibited by the stochastic source model recently proposed by Joynet, if the dislocation-time function is deconvolved out of the spectrum. Simulated motions derived from such source models could be used as subevents rather than recorded motions as is usually done. This strategy is a promising approach to simulation of ground motion from an extended rupture.

Large-Scale Simulations of Plastic Neural Networks on Neuromorphic Hardware

PubMed Central

Knight, James C.; Tully, Philip J.; Kaplan, Bernhard A.; Lansner, Anders; Furber, Steve B.

2016-01-01

SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Rather than using bespoke analog or digital hardware, the basic computational unit of a SpiNNaker system is a general-purpose ARM processor, allowing it to be programmed to simulate a wide variety of neuron and synapse models. This flexibility is particularly valuable in the study of biological plasticity phenomena. A recently proposed learning rule based on the Bayesian Confidence Propagation Neural Network (BCPNN) paradigm offers a generic framework for modeling the interaction of different plasticity mechanisms using spiking neurons. However, it can be computationally expensive to simulate large networks with BCPNN learning since it requires multiple state variables for each synapse, each of which needs to be updated every simulation time-step. We discuss the trade-offs in efficiency and accuracy involved in developing an event-based BCPNN implementation for SpiNNaker based on an analytical solution to the BCPNN equations, and detail the steps taken to fit this within the limited computational and memory resources of the SpiNNaker architecture. We demonstrate this learning rule by learning temporal sequences of neural activity within a recurrent attractor network which we simulate at scales of up to 2.0 × 104 neurons and 5.1 × 107 plastic synapses: the largest plastic neural network ever to be simulated on neuromorphic hardware. We also run a comparable simulation on a Cray XC-30 supercomputer system and find that, if it is to match the run-time of our SpiNNaker simulation, the super computer system uses approximately 45× more power. This suggests that cheaper, more power efficient neuromorphic systems are becoming useful discovery tools in the study of plasticity in large-scale brain models. PMID:27092061

Agent-based modeling of malaria vectors: the importance of spatial simulation.

PubMed

Bomblies, Arne

2014-07-03

The modeling of malaria vector mosquito populations yields great insight into drivers of malaria transmission at the village scale. Simulation of individual mosquitoes as "agents" in a distributed, dynamic model domain may be greatly beneficial for simulation of spatial relationships of vectors and hosts. In this study, an agent-based model is used to simulate the life cycle and movement of individual malaria vector mosquitoes in a Niger Sahel village, with individual simulated mosquitoes interacting with their physical environment as well as humans. Various processes that are known to be epidemiologically important, such as the dependence of parity on flight distance between developmental habitat and blood meal hosts and therefore spatial relationships of pools and houses, are readily simulated using this modeling paradigm. Impacts of perturbations can be evaluated on the basis of vectorial capacity, because the interactions between individuals that make up the population- scale metric vectorial capacity can be easily tracked for simulated mosquitoes and human blood meal hosts, without the need to estimate vectorial capacity parameters. As expected, model results show pronounced impacts of pool source reduction from larvicide application and draining, but with varying degrees of impact depending on the spatial relationship between pools and human habitation. Results highlight the importance of spatially-explicit simulation that can model individuals such as in an agent-based model. The impacts of perturbations on village scale malaria transmission depend on spatial locations of individual mosquitoes, as well as the tracking of relevant life cycle events and characteristics of individual mosquitoes. This study demonstrates advantages of using an agent-based approach for village-scale mosquito simulation to address questions in which spatial relationships are known to be important.

Exploring a multi-scale method for molecular simulation in continuum solvent model: Explicit simulation of continuum solvent as an incompressible fluid.

PubMed

Xiao, Li; Luo, Ray

2017-12-07

We explored a multi-scale algorithm for the Poisson-Boltzmann continuum solvent model for more robust simulations of biomolecules. In this method, the continuum solvent/solute interface is explicitly simulated with a numerical fluid dynamics procedure, which is tightly coupled to the solute molecular dynamics simulation. There are multiple benefits to adopt such a strategy as presented below. At this stage of the development, only nonelectrostatic interactions, i.e., van der Waals and hydrophobic interactions, are included in the algorithm to assess the quality of the solvent-solute interface generated by the new method. Nevertheless, numerical challenges exist in accurately interpolating the highly nonlinear van der Waals term when solving the finite-difference fluid dynamics equations. We were able to bypass the challenge rigorously by merging the van der Waals potential and pressure together when solving the fluid dynamics equations and by considering its contribution in the free-boundary condition analytically. The multi-scale simulation method was first validated by reproducing the solute-solvent interface of a single atom with analytical solution. Next, we performed the relaxation simulation of a restrained symmetrical monomer and observed a symmetrical solvent interface at equilibrium with detailed surface features resembling those found on the solvent excluded surface. Four typical small molecular complexes were then tested, both volume and force balancing analyses showing that these simple complexes can reach equilibrium within the simulation time window. Finally, we studied the quality of the multi-scale solute-solvent interfaces for the four tested dimer complexes and found that they agree well with the boundaries as sampled in the explicit water simulations.

A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

DOE PAGES

Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; ...

2015-06-01

Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, ormore » system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application-specific and sometimes ad-hoc approaches for model coupling. We are developing a generalized approach to hierarchical model coupling designed for high-performance computational systems, based on the Swift computing workflow framework. In this presentation we will describe the generalized approach and provide two use cases: 1) simulation of a mixing-controlled biogeochemical reaction coupling pore- and continuum-scale models, and 2) simulation of biogeochemical impacts of groundwater – river water interactions coupling fine- and coarse-grid model representations. This generalized framework can be customized for use with any pair of linked models (microscale and macroscale) with minimal intrusiveness to the at-scale simulators. It combines a set of python scripts with the Swift workflow environment to execute a complex multiscale simulation utilizing an approach similar to the well-known Heterogeneous Multiscale Method. User customization is facilitated through user-provided input and output file templates and processing function scripts, and execution within a high-performance computing environment is handled by Swift, such that minimal to no user modification of at-scale codes is required.« less

A fast image simulation algorithm for scanning transmission electron microscopy.

PubMed

Ophus, Colin

2017-01-01

Image simulation for scanning transmission electron microscopy at atomic resolution for samples with realistic dimensions can require very large computation times using existing simulation algorithms. We present a new algorithm named PRISM that combines features of the two most commonly used algorithms, namely the Bloch wave and multislice methods. PRISM uses a Fourier interpolation factor f that has typical values of 4-20 for atomic resolution simulations. We show that in many cases PRISM can provide a speedup that scales with f 4 compared to multislice simulations, with a negligible loss of accuracy. We demonstrate the usefulness of this method with large-scale scanning transmission electron microscopy image simulations of a crystalline nanoparticle on an amorphous carbon substrate.

A fast image simulation algorithm for scanning transmission electron microscopy

DOE PAGES

Ophus, Colin

2017-05-10

Image simulation for scanning transmission electron microscopy at atomic resolution for samples with realistic dimensions can require very large computation times using existing simulation algorithms. Here, we present a new algorithm named PRISM that combines features of the two most commonly used algorithms, namely the Bloch wave and multislice methods. PRISM uses a Fourier interpolation factor f that has typical values of 4-20 for atomic resolution simulations. We show that in many cases PRISM can provide a speedup that scales with f 4 compared to multislice simulations, with a negligible loss of accuracy. We demonstrate the usefulness of this methodmore » with large-scale scanning transmission electron microscopy image simulations of a crystalline nanoparticle on an amorphous carbon substrate.« less

Probabilistic Downscaling of Remote Sensing Data with Applications for Multi-Scale Biogeochemical Flux Modeling.

PubMed

Stoy, Paul C; Quaife, Tristan

2015-01-01

Upscaling ecological information to larger scales in space and downscaling remote sensing observations or model simulations to finer scales remain grand challenges in Earth system science. Downscaling often involves inferring subgrid information from coarse-scale data, and such ill-posed problems are classically addressed using regularization. Here, we apply two-dimensional Tikhonov Regularization (2DTR) to simulate subgrid surface patterns for ecological applications. Specifically, we test the ability of 2DTR to simulate the spatial statistics of high-resolution (4 m) remote sensing observations of the normalized difference vegetation index (NDVI) in a tundra landscape. We find that the 2DTR approach as applied here can capture the major mode of spatial variability of the high-resolution information, but not multiple modes of spatial variability, and that the Lagrange multiplier (γ) used to impose the condition of smoothness across space is related to the range of the experimental semivariogram. We used observed and 2DTR-simulated maps of NDVI to estimate landscape-level leaf area index (LAI) and gross primary productivity (GPP). NDVI maps simulated using a γ value that approximates the range of observed NDVI result in a landscape-level GPP estimate that differs by ca 2% from those created using observed NDVI. Following findings that GPP per unit LAI is lower near vegetation patch edges, we simulated vegetation patch edges using multiple approaches and found that simulated GPP declined by up to 12% as a result. 2DTR can generate random landscapes rapidly and can be applied to disaggregate ecological information and compare of spatial observations against simulated landscapes.

Probabilistic Downscaling of Remote Sensing Data with Applications for Multi-Scale Biogeochemical Flux Modeling

PubMed Central

Stoy, Paul C.; Quaife, Tristan

2015-01-01

Upscaling ecological information to larger scales in space and downscaling remote sensing observations or model simulations to finer scales remain grand challenges in Earth system science. Downscaling often involves inferring subgrid information from coarse-scale data, and such ill-posed problems are classically addressed using regularization. Here, we apply two-dimensional Tikhonov Regularization (2DTR) to simulate subgrid surface patterns for ecological applications. Specifically, we test the ability of 2DTR to simulate the spatial statistics of high-resolution (4 m) remote sensing observations of the normalized difference vegetation index (NDVI) in a tundra landscape. We find that the 2DTR approach as applied here can capture the major mode of spatial variability of the high-resolution information, but not multiple modes of spatial variability, and that the Lagrange multiplier (γ) used to impose the condition of smoothness across space is related to the range of the experimental semivariogram. We used observed and 2DTR-simulated maps of NDVI to estimate landscape-level leaf area index (LAI) and gross primary productivity (GPP). NDVI maps simulated using a γ value that approximates the range of observed NDVI result in a landscape-level GPP estimate that differs by ca 2% from those created using observed NDVI. Following findings that GPP per unit LAI is lower near vegetation patch edges, we simulated vegetation patch edges using multiple approaches and found that simulated GPP declined by up to 12% as a result. 2DTR can generate random landscapes rapidly and can be applied to disaggregate ecological information and compare of spatial observations against simulated landscapes. PMID:26067835

Length scale effects and multiscale modeling of thermally induced phase transformation kinetics in NiTi SMA

NASA Astrophysics Data System (ADS)

Frantziskonis, George N.; Gur, Sourav

2017-06-01

Thermally induced phase transformation in NiTi shape memory alloys (SMAs) shows strong size and shape, collectively termed length scale effects, at the nano to micrometer scales, and that has important implications for the design and use of devices and structures at such scales. This paper, based on a recently developed multiscale model that utilizes molecular dynamics (MDs) simulations at small scales and MD-verified phase field (PhF) simulations at larger scales, reports results on specific length scale effects, i.e. length scale effects in martensite phase fraction (MPF) evolution, transformation temperatures (martensite and austenite start and finish) and in the thermally cyclic transformation between austenitic and martensitic phase. The multiscale study identifies saturation points for length scale effects and studies, for the first time, the length scale effect on the kinetics (i.e. developed internal strains) in the B19‧ phase during phase transformation. The major part of the work addresses small scale single crystals in specific orientations. However, the multiscale method is used in a unique and novel way to indirectly study length scale and grain size effects on evolution kinetics in polycrystalline NiTi, and to compare the simulation results to experiments. The interplay of the grain size and the length scale effect on the thermally induced MPF evolution is also shown in this present study. Finally, the multiscale coupling results are employed to improve phenomenological material models for NiTi SMA.

Argonne Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-01-01

A simulation framework has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS). The simulator is designed to run on parallel computers and distribu...

Preliminary Study on a Reduced Scaled Model Regarding the Air Diffusion inside a Crew Quarter on Board of the ISS

NASA Astrophysics Data System (ADS)

Sandu, Mihnea; Nastase, Ilinca; Bode, Florin; Croitoru, CristianaVerona; Tacutu, Laurentiu

2018-02-01

The paper focus on the air quality inside the Crew Quarters on board of the International Space Station. Several issues to improve were recorded by NASA and ESA and most important of them are the following: noise level reduction, CO2 accumulation reduction and dust accumulation reduction. The study in this paper is centred on a reduced scaled model used to provide simulations related to the air diffusion inside the CQ. It is obvious that a new ventilation system is required to achieve the three issues mentioned above, and the solutions obtained by means of numerical simulation need to be validated by experimental approach. First of all we have built a reduced scaled physical model to simulate the flow pattern inside the CQ and the equipment inside the CQ has been reproduced using a geometrical scale ratio. The flow pattern was considered isothermal and incompressible. The similarity criteria used was the Reynolds number to characterize the flow pattern and the length scale was set at value 1/4. Water has been used inside the model to simulate air. Velocity magnitude vectors have been obtained using PIV measurement techniques.

The role of zonal flows in the saturation of multi-scale gyrokinetic turbulence

DOE PAGES

Staebler, Gary M.; Candy, John; Howard, Nathan T.; ...

2016-06-29

The 2D spectrum of the saturated electric potential from gyrokinetic turbulence simulations that include both ion and electron scales (multi-scale) in axisymmetric tokamak geometry is analyzed. The paradigm that the turbulence is saturated when the zonal (axisymmetic) ExB flow shearing rate competes with linear growth is shown to not apply to the electron scale turbulence. Instead, it is the mixing rate by the zonal ExB velocity spectrum with the turbulent distribution function that competes with linear growth. A model of this mechanism is shown to be able to capture the suppression of electron-scale turbulence by ion-scale turbulence and the thresholdmore » for the increase in electron scale turbulence when the ion-scale turbulence is reduced. The model computes the strength of the zonal flow velocity and the saturated potential spectrum from the linear growth rate spectrum. The model for the saturated electric potential spectrum is applied to a quasilinear transport model and shown to accurately reproduce the electron and ion energy fluxes of the non-linear gyrokinetic multi-scale simulations. Finally, the zonal flow mixing saturation model is also shown to reproduce the non-linear upshift in the critical temperature gradient caused by zonal flows in ionscale gyrokinetic simulations.« less

A compartmentalized solute transport model for redox zones in contaminated aquifers: 2. Field‐scale simulations

USGS Publications Warehouse

Abrams , Robert H.; Loague, Keith

2000-01-01

This paper, the second of two parts [see Abrams and Loague, this issue], reports the field‐scale application of COMPTRAN (compartmentalized solute transport model) for simulating the development of redox zones. COMPTRAN is fully developed and described in the companion paper. Redox zones, which are often delineated by the relative concentrations of dissolved oxygen, have been observed around the globe. The distribution of other redox‐sensitive species is affected by redox zonation. At the U.S. Geological Survey's Cape Cod research site, an anoxic zone containing high concentrations of dissolved iron has been observed. Field data were abstracted from the Cape Cod site for the one‐dimensional and two‐dimensional COMPTRAN simulations reported in this paper. The purpose of the concept‐development simulations was to demonstrate that the compartmentalized approach reported by Abrams et al. [1998] can be linked with a solute transport model to simulate field‐scale phenomena. The results presented in this paper show that COMPTRAN successfully simulated the development of redox zones at the field scale, including trends in pH and alkalinity. Thermodynamic constraints were used to prevent lower‐energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium among all redox species. Empirical methods of reaction inhibition were not needed for the simulations conducted for this study. COMPTRAN can be extended easily to include additional compartments and reactions and is capable of handling complex velocity fields in more than one dimension.

SDG and qualitative trend based model multiple scale validation

NASA Astrophysics Data System (ADS)

Gao, Dong; Xu, Xin; Yin, Jianjin; Zhang, Hongyu; Zhang, Beike

2017-09-01

Verification, Validation and Accreditation (VV&A) is key technology of simulation and modelling. For the traditional model validation methods, the completeness is weak; it is carried out in one scale; it depends on human experience. The SDG (Signed Directed Graph) and qualitative trend based multiple scale validation is proposed. First the SDG model is built and qualitative trends are added to the model. And then complete testing scenarios are produced by positive inference. The multiple scale validation is carried out by comparing the testing scenarios with outputs of simulation model in different scales. Finally, the effectiveness is proved by carrying out validation for a reactor model.

Analysis and modeling of subgrid scalar mixing using numerical data

NASA Technical Reports Server (NTRS)

Girimaji, Sharath S.; Zhou, YE

1995-01-01

Direct numerical simulations (DNS) of passive scalar mixing in isotropic turbulence is used to study, analyze and, subsequently, model the role of small (subgrid) scales in the mixing process. In particular, we attempt to model the dissipation of the large scale (supergrid) scalar fluctuations caused by the subgrid scales by decomposing it into two parts: (1) the effect due to the interaction among the subgrid scales; and (2) the effect due to interaction between the supergrid and the subgrid scales. Model comparisons with DNS data show good agreement. This model is expected to be useful in the large eddy simulations of scalar mixing and reaction.

An effective online data monitoring and saving strategy for large-scale climate simulations

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

Xian, Xiaochen; Archibald, Rick; Mayer, Benjamin

Large-scale climate simulation models have been developed and widely used to generate historical data and study future climate scenarios. These simulation models often have to run for a couple of months to understand the changes in the global climate over the course of decades. This long-duration simulation process creates a huge amount of data with both high temporal and spatial resolution information; however, how to effectively monitor and record the climate changes based on these large-scale simulation results that are continuously produced in real time still remains to be resolved. Due to the slow process of writing data to disk,more » the current practice is to save a snapshot of the simulation results at a constant, slow rate although the data generation process runs at a very high speed. This study proposes an effective online data monitoring and saving strategy over the temporal and spatial domains with the consideration of practical storage and memory capacity constraints. Finally, our proposed method is able to intelligently select and record the most informative extreme values in the raw data generated from real-time simulations in the context of better monitoring climate changes.« less

An effective online data monitoring and saving strategy for large-scale climate simulations

DOE PAGES

Xian, Xiaochen; Archibald, Rick; Mayer, Benjamin; ...

2018-01-22

Large-scale climate simulation models have been developed and widely used to generate historical data and study future climate scenarios. These simulation models often have to run for a couple of months to understand the changes in the global climate over the course of decades. This long-duration simulation process creates a huge amount of data with both high temporal and spatial resolution information; however, how to effectively monitor and record the climate changes based on these large-scale simulation results that are continuously produced in real time still remains to be resolved. Due to the slow process of writing data to disk,more » the current practice is to save a snapshot of the simulation results at a constant, slow rate although the data generation process runs at a very high speed. This study proposes an effective online data monitoring and saving strategy over the temporal and spatial domains with the consideration of practical storage and memory capacity constraints. Finally, our proposed method is able to intelligently select and record the most informative extreme values in the raw data generated from real-time simulations in the context of better monitoring climate changes.« less

Supporting observation campaigns with high resolution modeling

NASA Astrophysics Data System (ADS)

Klocke, Daniel; Brueck, Matthias; Voigt, Aiko

2017-04-01

High resolution simulation in support of measurement campaigns offers a promising and emerging way to create large-scale context for small-scale observations of clouds and precipitation processes. As these simulation include the coupling of measured small-scale processes with the circulation, they also help to integrate the research communities from modeling and observations and allow for detailed model evaluations against dedicated observations. In connection with the measurement campaign NARVAL (August 2016 and December 2013) simulations with a grid-spacing of 2.5 km for the tropical Atlantic region (9000x3300 km), with local refinement to 1.2 km for the western part of the domain, were performed using the icosahedral non-hydrostatic (ICON) general circulation model. These simulations are again used to drive large eddy resolving simulations with the same model for selected days in the high definition clouds and precipitation for advancing climate prediction (HD(CP)2) project. The simulations are presented with the focus on selected results showing the benefit for the scientific communities doing atmospheric measurements and numerical modeling of climate and weather. Additionally, an outlook will be given on how similar simulations will support the NAWDEX measurement campaign in the North Atlantic and AC3 measurement campaign in the Arctic.

Time scale bridging in atomistic simulation of slow dynamics: viscous relaxation and defect activation

NASA Astrophysics Data System (ADS)

Kushima, A.; Eapen, J.; Li, Ju; Yip, S.; Zhu, T.

2011-08-01

Atomistic simulation methods are known for timescale limitations in resolving slow dynamical processes. Two well-known scenarios of slow dynamics are viscous relaxation in supercooled liquids and creep deformation in stressed solids. In both phenomena the challenge to theory and simulation is to sample the transition state pathways efficiently and follow the dynamical processes on long timescales. We present a perspective based on the biased molecular simulation methods such as metadynamics, autonomous basin climbing (ABC), strain-boost and adaptive boost simulations. Such algorithms can enable an atomic-level explanation of the temperature variation of the shear viscosity of glassy liquids, and the relaxation behavior in solids undergoing creep deformation. By discussing the dynamics of slow relaxation in two quite different areas of condensed matter science, we hope to draw attention to other complex problems where anthropological or geological-scale time behavior can be simulated at atomic resolution and understood in terms of micro-scale processes of molecular rearrangements and collective interactions. As examples of a class of phenomena that can be broadly classified as materials ageing, we point to stress corrosion cracking and cement setting as opportunities for atomistic modeling and simulations.

The German VR Simulation Realism Scale--psychometric construction for virtual reality applications with virtual humans.

PubMed

Poeschl, Sandra; Doering, Nicola

2013-01-01

Virtual training applications with high levels of immersion or fidelity (for example for social phobia treatment) produce high levels of presence and therefore belong to the most successful Virtual Reality developments. Whereas display and interaction fidelity (as sub-dimensions of immersion) and their influence on presence are well researched, realism of the displayed simulation depends on the specific application and is therefore difficult to measure. We propose to measure simulation realism by using a self-report questionnaire. The German VR Simulation Realism Scale for VR training applications was developed based on a translation of scene realism items from the Witmer-Singer-Presence Questionnaire. Items for realism of virtual humans (for example for social phobia training applications) were supplemented. A sample of N = 151 students rated simulation realism of a Fear of Public Speaking application. Four factors were derived by item- and principle component analysis (Varimax rotation), representing Scene Realism, Audience Behavior, Audience Appearance and Sound Realism. The scale developed can be used as a starting point for future research and measurement of simulation realism for applications including virtual humans.

Supercomputers ready for use as discovery machines for neuroscience.

PubMed

Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus

2012-01-01

NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 10(8) neurons and 10(12) synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience.

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

Lai, Canhai; Xu, Zhijie; Li, Tingwen

In virtual design and scale up of pilot-scale carbon capture systems, the coupled reactive multiphase flow problem must be solved to predict the adsorber’s performance and capture efficiency under various operation conditions. This paper focuses on the detailed computational fluid dynamics (CFD) modeling of a pilot-scale fluidized bed adsorber equipped with vertical cooling tubes. Multiphase Flow with Interphase eXchanges (MFiX), an open-source multiphase flow CFD solver, is used for the simulations with custom code to simulate the chemical reactions and filtered models to capture the effect of the unresolved details in the coarser mesh for simulations with reasonable simulations andmore » manageable computational effort. Previously developed two filtered models for horizontal cylinder drag, heat transfer, and reaction kinetics have been modified to derive the 2D filtered models representing vertical cylinders in the coarse-grid CFD simulations. The effects of the heat exchanger configurations (i.e., horizontal or vertical) on the adsorber’s hydrodynamics and CO2 capture performance are then examined. The simulation result subsequently is compared and contrasted with another predicted by a one-dimensional three-region process model.« less

Development of a large-scale, outdoor, ground-based test capability for evaluating the effect of rain on airfoil lift

NASA Technical Reports Server (NTRS)

Bezos, Gaudy M.; Campbell, Bryan A.

1993-01-01

A large-scale, outdoor, ground-based test capability for acquiring aerodynamic data in a simulated rain environment was developed at the Langley Aircraft Landing Dynamics Facility (ALDF) to assess the effect of heavy rain on airfoil performance. The ALDF test carriage was modified to transport a 10-ft-chord NACA 64210 wing section along a 3000-ft track at full-scale aircraft approach speeds. An overhead rain simulation system was constructed along a 525-ft section of the track with the capability of producing simulated rain fields of 2, 10, 30, and 40 in/hr. The facility modifications, the aerodynamic testing and rain simulation capability, the design and calibration of the rain simulation system, and the operational procedures developed to minimize the effect of wind on the simulated rain field and aerodynamic data are described in detail. The data acquisition and reduction processes are also presented along with sample force data illustrating the environmental effects on data accuracy and repeatability for the 'rain-off' test condition.

Supercomputers Ready for Use as Discovery Machines for Neuroscience

PubMed Central

Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus

2012-01-01

NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 108 neurons and 1012 synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience. PMID:23129998

Galaxy two-point covariance matrix estimation for next generation surveys

NASA Astrophysics Data System (ADS)

Howlett, Cullan; Percival, Will J.

2017-12-01

We perform a detailed analysis of the covariance matrix of the spherically averaged galaxy power spectrum and present a new, practical method for estimating this within an arbitrary survey without the need for running mock galaxy simulations that cover the full survey volume. The method uses theoretical arguments to modify the covariance matrix measured from a set of small-volume cubic galaxy simulations, which are computationally cheap to produce compared to larger simulations and match the measured small-scale galaxy clustering more accurately than is possible using theoretical modelling. We include prescriptions to analytically account for the window function of the survey, which convolves the measured covariance matrix in a non-trivial way. We also present a new method to include the effects of super-sample covariance and modes outside the small simulation volume which requires no additional simulations and still allows us to scale the covariance matrix. As validation, we compare the covariance matrix estimated using our new method to that from a brute-force calculation using 500 simulations originally created for analysis of the Sloan Digital Sky Survey Main Galaxy Sample. We find excellent agreement on all scales of interest for large-scale structure analysis, including those dominated by the effects of the survey window, and on scales where theoretical models of the clustering normally break down, but the new method produces a covariance matrix with significantly better signal-to-noise ratio. Although only formally correct in real space, we also discuss how our method can be extended to incorporate the effects of redshift space distortions.

Runoff simulation sensitivity to remotely sensed initial soil water content

NASA Astrophysics Data System (ADS)

Goodrich, D. C.; Schmugge, T. J.; Jackson, T. J.; Unkrich, C. L.; Keefer, T. O.; Parry, R.; Bach, L. B.; Amer, S. A.

1994-05-01

A variety of aircraft remotely sensed and conventional ground-based measurements of volumetric soil water content (SW) were made over two subwatersheds (4.4 and 631 ha) of the U.S. Department of Agriculture's Agricultural Research Service Walnut Gulch experimental watershed during the 1990 monsoon season. Spatially distributed soil water contents estimated remotely from the NASA push broom microwave radiometer (PBMR), an Institute of Radioengineering and Electronics (IRE) multifrequency radiometer, and three ground-based point methods were used to define prestorm initial SW for a distributed rainfall-runoff model (KINEROS; Woolhiser et al., 1990) at a small catchment scale (4.4 ha). At a medium catchment scale (631 ha or 6.31 km2) spatially distributed PBMR SW data were aggregated via stream order reduction. The impacts of the various spatial averages of SW on runoff simulations are discussed and are compared to runoff simulations using SW estimates derived from a simple daily water balance model. It was found that at the small catchment scale the SW data obtained from any of the measurement methods could be used to obtain reasonable runoff predictions. At the medium catchment scale, a basin-wide remotely sensed average of initial water content was sufficient for runoff simulations. This has important implications for the possible use of satellite-based microwave soil moisture data to define prestorm SW because the low spatial resolutions of such sensors may not seriously impact runoff simulations under the conditions examined. However, at both the small and medium basin scale, adequate resources must be devoted to proper definition of the input rainfall to achieve reasonable runoff simulations.

Development and psychometric testing of the satisfaction with Cultural Simulation Experience Scale.

PubMed

Courtney-Pratt, Helen; Levett-Jones, Tracy; Lapkin, Samuel; Pitt, Victoria; Gilligan, Conor; Van der Riet, Pamela; Rossiter, Rachel; Jones, Donovan; Everson, Naleya

2015-11-01

Decreasing the numbers of adverse health events experienced by people from culturally diverse backgrounds rests, in part, on the ability of education providers to provide quality learning experiences that support nursing students in developing cultural competence, an essential professional attribute. This paper reports on the implementation and evaluation of an immersive 3D cultural empathy simulation. The Satisfaction with Cultural Simulation Experience Scale used in this study was adapted and validated as the first stage of this study. Exploratory factor analysis and confirmatory factor analysis were undertaken to investigate the psychometric properties of the scale using two randomly-split sub-samples. Cronbach's Alpha was used to examine internal consistency reliability. Descriptive statistics were used for analysis of mean satisfaction scores and qualitative comments to open-ended questions were analysed and coded. A purposive sample (n = 497) of second of nursing students participated in the study. The overall Cronbach's alpha for the scale was 0.95 and each subscale demonstrated high internal consistency: 0.92; 0.92; 0.72 respectively. The mean satisfaction score was 4.64 (SD 0.51) out of a maximum of 5 indicating a high level of participant satisfaction with the simulation. Three factors emerged from qualitative analysis: "Becoming culturally competent", "Learning from the debrief" and "Reflecting on practice". The cultural simulation was highly regarded by students. Psychometric testing of the Satisfaction with Cultural Simulation Experience Scale demonstrated that it is a reliable instrument. However, there is room for improvement and further testing in other contexts is therefore recommended. Copyright © 2015 Elsevier Ltd. All rights reserved.

Intercomparison of 3D pore-scale flow and solute transport simulation methods

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

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB),more » lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).« less

WRF/CMAQ AQMEII3 Simulations of U.S. Regional-Scale Ozone: Sensitivity to Processes and Inputs

EPA Science Inventory

Chemical boundary conditions are a key input to regional-scale photochemical models. In this study, performed during the third phase of the Air Quality Model Evaluation International Initiative (AQMEII3), we perform annual simulations over North America with chemical boundary con...

SIMULATED IMPACTS OF SMALL-SCALE SPATIAL DISTRIBUTION OF IMPERVIOUS AREA ON RUNOFF RESPONSE OF FIELD-SCALE CATCHMENTS

EPA Science Inventory

Impervious surface is known to negatively affect catchment hydrology through both its extent and spatial distribution. In this study, we empirically quantify via model simulations the impacts of different configurations of impervious surface on watershed response to rainfall. An ...

BENCH-SCALE EVALUATION OF CALCIUM SORBENTS FOR ACID GAS EMISSION CONTROL

EPA Science Inventory

Calcium sorbents for acid gas emission control were evaluated for effectiveness in removing SO2/HCl and SO2/NO from simulated incinerator and boiler flue gases. All tests were conducted in a bench-scale reactor (fixed-bed) simulating fabric filter conditions in an acid gas remova...

Simulating the impact of the large-scale circulation on the 2-m temperature and precipitation climatology

EPA Science Inventory

The impact of the simulated large-scale atmospheric circulation on the regional climate is examined using the Weather Research and Forecasting (WRF) model as a regional climate model. The purpose is to understand the potential need for interior grid nudging for dynamical downscal...

Application of large-scale, multi-resolution watershed modeling framework using the Hydrologic and Water Quality System (HAWQS)

USDA-ARS?s Scientific Manuscript database

In recent years, large-scale watershed modeling has been implemented broadly in the field of water resources planning and management. Complex hydrological, sediment, and nutrient processes can be simulated by sophisticated watershed simulation models for important issues such as water resources all...

The effects of different dry roast parameters on peanut quality using an industrial, belt-type roaster simulator

USDA-ARS?s Scientific Manuscript database

Recent lab scale experiments demonstrated that peanuts roasted to equivalent surface colors at different temperature/time combinations can vary substantially in chemical and physical properties related to product quality. This study expanded that approach to a pilot plant scale roaster that simulate...

Predicting agricultural impacts of large-scale drought: 2012 and the case for better modeling

USDA-ARS?s Scientific Manuscript database

We present an example of a simulation-based forecast for the 2012 U.S. maize growing season produced as part of a high-resolution, multi-scale, predictive mechanistic modeling study designed for decision support, risk management, and counterfactual analysis. The simulations undertaken for this analy...

Integrating macro and micro scale approaches in the agent-based modeling of residential dynamics

NASA Astrophysics Data System (ADS)

Saeedi, Sara

2018-06-01

With the advancement of computational modeling and simulation (M&S) methods as well as data collection technologies, urban dynamics modeling substantially improved over the last several decades. The complex urban dynamics processes are most effectively modeled not at the macro-scale, but following a bottom-up approach, by simulating the decisions of individual entities, or residents. Agent-based modeling (ABM) provides the key to a dynamic M&S framework that is able to integrate socioeconomic with environmental models, and to operate at both micro and macro geographical scales. In this study, a multi-agent system is proposed to simulate residential dynamics by considering spatiotemporal land use changes. In the proposed ABM, macro-scale land use change prediction is modeled by Artificial Neural Network (ANN) and deployed as the agent environment and micro-scale residential dynamics behaviors autonomously implemented by household agents. These two levels of simulation interacted and jointly promoted urbanization process in an urban area of Tehran city in Iran. The model simulates the behavior of individual households in finding ideal locations to dwell. The household agents are divided into three main groups based on their income rank and they are further classified into different categories based on a number of attributes. These attributes determine the households' preferences for finding new dwellings and change with time. The ABM environment is represented by a land-use map in which the properties of the land parcels change dynamically over the simulation time. The outputs of this model are a set of maps showing the pattern of different groups of households in the city. These patterns can be used by city planners to find optimum locations for building new residential units or adding new services to the city. The simulation results show that combining macro- and micro-level simulation can give full play to the potential of the ABM to understand the driving mechanism of urbanization and provide decision-making support for urban management.

Multiple Point Statistics algorithm based on direct sampling and multi-resolution images

NASA Astrophysics Data System (ADS)

Julien, S.; Renard, P.; Chugunova, T.

2017-12-01

Multiple Point Statistics (MPS) has become popular for more than one decade in Earth Sciences, because these methods allow to generate random fields reproducing highly complex spatial features given in a conceptual model, the training image, while classical geostatistics techniques based on bi-point statistics (covariance or variogram) fail to generate realistic models. Among MPS methods, the direct sampling consists in borrowing patterns from the training image to populate a simulation grid. This latter is sequentially filled by visiting each of these nodes in a random order, and then the patterns, whose the number of nodes is fixed, become narrower during the simulation process, as the simulation grid is more densely informed. Hence, large scale structures are caught in the beginning of the simulation and small scale ones in the end. However, MPS may mix spatial characteristics distinguishable at different scales in the training image, and then loose the spatial arrangement of different structures. To overcome this limitation, we propose to perform MPS simulation using a decomposition of the training image in a set of images at multiple resolutions. Applying a Gaussian kernel onto the training image (convolution) results in a lower resolution image, and iterating this process, a pyramid of images depicting fewer details at each level is built, as it can be done in image processing for example to lighten the space storage of a photography. The direct sampling is then employed to simulate the lowest resolution level, and then to simulate each level, up to the finest resolution, conditioned to the level one rank coarser. This scheme helps reproduce the spatial structures at any scale of the training image and then generate more realistic models. We illustrate the method with aerial photographies (satellite images) and natural textures. Indeed, these kinds of images often display typical structures at different scales and are well-suited for MPS simulation techniques.

Aerodynamic Simulation of Runback Ice Accretion

NASA Technical Reports Server (NTRS)

Broeren, Andy P.; Whalen, Edward A.; Busch, Greg T.; Bragg, Michael B.

2010-01-01

This report presents the results of recent investigations into the aerodynamics of simulated runback ice accretion on airfoils. Aerodynamic tests were performed on a full-scale model using a high-fidelity, ice-casting simulation at near-flight Reynolds (Re) number. The ice-casting simulation was attached to the leading edge of a 72-in. (1828.8-mm ) chord NACA 23012 airfoil model. Aerodynamic performance tests were conducted at the ONERA F1 pressurized wind tunnel over a Reynolds number range of 4.7?10(exp 6) to 16.0?10(exp 6) and a Mach (M) number ran ge of 0.10 to 0.28. For Re = 16.0?10(exp 6) and M = 0.20, the simulated runback ice accretion on the airfoil decreased the maximum lift coe fficient from 1.82 to 1.51 and decreased the stalling angle of attack from 18.1deg to 15.0deg. The pitching-moment slope was also increased and the drag coefficient was increased by more than a factor of two. In general, the performance effects were insensitive to Reynolds numb er and Mach number changes over the range tested. Follow-on, subscale aerodynamic tests were conducted on a quarter-scale NACA 23012 model (18-in. (457.2-mm) chord) at Re = 1.8?10(exp 6) and M = 0.18, using low-fidelity, geometrically scaled simulations of the full-scale castin g. It was found that simple, two-dimensional simulations of the upper- and lower-surface runback ridges provided the best representation of the full-scale, high Reynolds number iced-airfoil aerodynamics, whereas higher-fidelity simulations resulted in larger performance degrada tions. The experimental results were used to define a new subclassification of spanwise ridge ice that distinguishes between short and tall ridges. This subclassification is based upon the flow field and resulting aerodynamic characteristics, regardless of the physical size of the ridge and the ice-accretion mechanism.

Efficient coarse simulation of a growing avascular tumor

PubMed Central

Kavousanakis, Michail E.; Liu, Ping; Boudouvis, Andreas G.; Lowengrub, John; Kevrekidis, Ioannis G.

2013-01-01

The subject of this work is the development and implementation of algorithms which accelerate the simulation of early stage tumor growth models. Among the different computational approaches used for the simulation of tumor progression, discrete stochastic models (e.g., cellular automata) have been widely used to describe processes occurring at the cell and subcell scales (e.g., cell-cell interactions and signaling processes). To describe macroscopic characteristics (e.g., morphology) of growing tumors, large numbers of interacting cells must be simulated. However, the high computational demands of stochastic models make the simulation of large-scale systems impractical. Alternatively, continuum models, which can describe behavior at the tumor scale, often rely on phenomenological assumptions in place of rigorous upscaling of microscopic models. This limits their predictive power. In this work, we circumvent the derivation of closed macroscopic equations for the growing cancer cell populations; instead, we construct, based on the so-called “equation-free” framework, a computational superstructure, which wraps around the individual-based cell-level simulator and accelerates the computations required for the study of the long-time behavior of systems involving many interacting cells. The microscopic model, e.g., a cellular automaton, which simulates the evolution of cancer cell populations, is executed for relatively short time intervals, at the end of which coarse-scale information is obtained. These coarse variables evolve on slower time scales than each individual cell in the population, enabling the application of forward projection schemes, which extrapolate their values at later times. This technique is referred to as coarse projective integration. Increasing the ratio of projection times to microscopic simulator execution times enhances the computational savings. Crucial accuracy issues arising for growing tumors with radial symmetry are addressed by applying the coarse projective integration scheme in a cotraveling (cogrowing) frame. As a proof of principle, we demonstrate that the application of this scheme yields highly accurate solutions, while preserving the computational savings of coarse projective integration. PMID:22587128

Effects of laser-plasma instabilities on hydro evolution in an OMEGA-EP long-scale-length experiment

DOE PAGES

Li, J.; Hu, S. X.; Ren, C.

2017-02-28

Laser-plasma instabilities and hydro evolution of the coronal plasma in an OMEGA EP long-scale-length experiment with planar targets were studied with particle-in-cell (PIC) and hydrodynamic simulations. Plasma and laser conditions were first obtained in a two-dimensional DRACO hydro simulation with only inverse-bremsstrahlung absorption. Using these conditions, an OSIRIS PIC simulation was performed to study laser absorption and hot-electron generation caused by laser-plasma instabilities (LPIs) near the quarter-critical region. The obtained PIC information was subsequently coupled to another DRACO simulation to examine how the LPIs affect the overall hydrodynamics. Lastly, the results showed that the LPI-induced laser absorption increased the electronmore » temperature but did not significantly change the density scale length in the corona.« less

Effects of laser-plasma instabilities on hydro evolution in an OMEGA-EP long-scale-length experiment

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

Li, J.; Hu, S. X.; Ren, C.

Laser-plasma instabilities and hydro evolution of the coronal plasma in an OMEGA EP long-scale-length experiment with planar targets were studied with particle-in-cell (PIC) and hydrodynamic simulations. Plasma and laser conditions were first obtained in a two-dimensional DRACO hydro simulation with only inverse-bremsstrahlung absorption. Using these conditions, an OSIRIS PIC simulation was performed to study laser absorption and hot-electron generation caused by laser-plasma instabilities (LPIs) near the quarter-critical region. The obtained PIC information was subsequently coupled to another DRACO simulation to examine how the LPIs affect the overall hydrodynamics. Lastly, the results showed that the LPI-induced laser absorption increased the electronmore » temperature but did not significantly change the density scale length in the corona.« less

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations

NASA Astrophysics Data System (ADS)

Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.

2016-07-01

Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.

Searching for the right scale in catchment hydrology: the effect of soil spatial variability in simulated states and fluxes

NASA Astrophysics Data System (ADS)

Baroni, Gabriele; Zink, Matthias; Kumar, Rohini; Samaniego, Luis; Attinger, Sabine

2017-04-01

The advances in computer science and the availability of new detailed data-sets have led to a growing number of distributed hydrological models applied to finer and finer grid resolutions for larger and larger catchment areas. It was argued, however, that this trend does not necessarily guarantee better understanding of the hydrological processes or it is even not necessary for specific modelling applications. In the present study, this topic is further discussed in relation to the soil spatial heterogeneity and its effect on simulated hydrological state and fluxes. To this end, three methods are developed and used for the characterization of the soil heterogeneity at different spatial scales. The methods are applied at the soil map of the upper Neckar catchment (Germany), as example. The different soil realizations are assessed regarding their impact on simulated state and fluxes using the distributed hydrological model mHM. The results are analysed by aggregating the model outputs at different spatial scales based on the Representative Elementary Scale concept (RES) proposed by Refsgaard et al. (2016). The analysis is further extended in the present study by aggregating the model output also at different temporal scales. The results show that small scale soil variabilities are not relevant when the integrated hydrological responses are considered e.g., simulated streamflow or average soil moisture over sub-catchments. On the contrary, these small scale soil variabilities strongly affect locally simulated states and fluxes i.e., soil moisture and evapotranspiration simulated at the grid resolution. A clear trade-off is also detected by aggregating the model output by spatial and temporal scales. Despite the scale at which the soil variabilities are (or are not) relevant is not universal, the RES concept provides a simple and effective framework to quantify the predictive capability of distributed models and to identify the need for further model improvements e.g., finer resolution input. For this reason, the integration in this analysis of all the relevant input factors (e.g., precipitation, vegetation, geology) could provide a strong support for the definition of the right scale for each specific model application. In this context, however, the main challenge for a proper model assessment will be the correct characterization of the spatio- temporal variability of each input factor. Refsgaard, J.C., Højberg, A.L., He, X., Hansen, A.L., Rasmussen, S.H., Stisen, S., 2016. Where are the limits of model predictive capabilities?: Representative Elementary Scale - RES. Hydrol. Process. doi:10.1002/hyp.11029

Violation of Field Line Conservation and Associated Spatial Scales in Particle-in-Cell Simulations and MMS Data

NASA Astrophysics Data System (ADS)

Wendel, D. E.; Liu, Y. H.; Giles, B. L.; Torbert, R. B.

2017-12-01

For the first time, space flight technology exists to detect, in situ, violation of magnetic field line conservation. The violation of magnetic line conservation on scales smaller than the system size is a necessary and sufficient condition for magnetic reconnection. We demonstrate that violation of line conservation produces a detectable, structured signature in both particle-in-cell simulations of reconnection and in data from the Magnetospheric Multi-Scale mission. In particle-in-cell simulations of asymmetric reconnection, the quantity-which we call M-that identifies this violation achieves a significant value in electron skin depth-scale layers that extend from the electron diffusion region along the separatrices, with higher values emerging on the low density, high magnetic field side of the current sheet. In two MMS burst data intervals associated with detection of the electron diffusion region—one interval with antiparallel reconnecting fields and the other with a guide field-we determine the location and scale of M and of the diffusion region relative to electron outflows and the magnetic separatrices. We find that M exceeds measurement uncertainties both at the diffusion region and near the separatrices, where it attains its highest values in layered structures. The observed magnitude scales as the simulated magnitude after adjusting for the artificial parameters of the simulation. Bipolar forms of the quantity also appear further from the diffusion region, possibly associated with electron holes. The measure serves not only as a powerful diagnostic for magnetic reconnection, but reveals that electrons transport this signature of reconnection away from the x-line.

Scaling up watershed model parameters: flow and load simulations of the Edisto River Basin, South Carolina, 2007-09

USGS Publications Warehouse

Feaster, Toby D.; Benedict, Stephen T.; Clark, Jimmy M.; Bradley, Paul M.; Conrads, Paul

2014-01-01

As part of an ongoing effort by the U.S. Geological Survey to expand the understanding of relations among hydrologic, geochemical, and ecological processes that affect fish-tissue mercury concentrations within the Edisto River Basin, analyses and simulations of the hydrology of the Edisto River Basin were made using the topography-based hydrological model (TOPMODEL). A primary focus of the investigation was to assess the potential for scaling up a previous application of TOPMODEL for the McTier Creek watershed, which is a small headwater catchment to the Edisto River Basin. Scaling up was done in a step-wise manner, beginning with applying the calibration parameters, meteorological data, and topographic-wetness-index data from the McTier Creek TOPMODEL to the Edisto River TOPMODEL. Additional changes were made for subsequent simulations, culminating in the best simulation, which included meteorological and topographic wetness index data from the Edisto River Basin and updated calibration parameters for some of the TOPMODEL calibration parameters. The scaling-up process resulted in nine simulations being made. Simulation 7 best matched the streamflows at station 02175000, Edisto River near Givhans, SC, which was the downstream limit for the TOPMODEL setup, and was obtained by adjusting the scaling factor, including streamflow routing, and using NEXRAD precipitation data for the Edisto River Basin. The Nash-Sutcliffe coefficient of model-fit efficiency and Pearson’s correlation coefficient for simulation 7 were 0.78 and 0.89, respectively. Comparison of goodness-of-fit statistics between measured and simulated daily mean streamflow for the McTier Creek and Edisto River models showed that with calibration, the Edisto River TOPMODEL produced slightly better results than the McTier Creek model, despite the substantial difference in the drainage-area size at the outlet locations for the two models (30.7 and 2,725 square miles, respectively). Along with the TOPMODEL hydrologic simulations, a visualization tool (the Edisto River Data Viewer) was developed to help assess trends and influencing variable in the stream ecosystem. Incorporated into the visualization tool were the water-quality load models TOPLOAD, TOPLOAD–H, and LOADEST. Because the focus of this investigation was on scaling up the models from McTier Creek, water-quality concentrations that were previously collected in the McTier Creek Basin were used in the water-quality load models.

Divertor heat flux simulations in ELMy H-mode discharges of EAST

NASA Astrophysics Data System (ADS)

Xia, T. Y.; Xu, X. Q.; Wu, Y. B.; Huang, Y. Q.; Wang, L.; Zheng, Z.; Liu, J. B.; Zang, Q.; Li, Y. Y.; Zhao, D.; EAST Team

2017-11-01

This paper presents heat flux simulations for the ELMy H-mode on the Experimental Advanced Superconducting Tokamak (EAST) using a six-field two-fluid model in BOUT++. Three EAST ELMy H-mode discharges with different plasma currents I p and geometries are studied. The trend of the scrape-off layer width λq with I p is reproduced by the simulation. The simulated width is only half of that derived from the EAST scaling law, but agrees well with the international multi-machine scaling law. Note that there is no radio-frequency (RF) heating scheme in the simulations, and RF heating can change the boundary topology and increase the flux expansion. Anomalous electron transport is found to contribute to the divertor heat fluxes. A coherent mode is found in the edge region in simulations. The frequency and poloidal wave number kθ are in the range of the edge coherent mode in EAST. The magnetic fluctuations of the mode are smaller than the electric field fluctuations. Statistical analysis of the type of turbulence shows that the turbulence transport type (blobby or turbulent) does not influence the heat flux width scaling. The two-point model differs from the simulation results but the drift-based model shows good agreement with simulations.

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-11-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW (Modular Three-dimensional Finite-difference Groundwater Flow Model) simulation environment, and the PEST (parameter estimation) tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop lognormally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

LAMMPS integrated materials engine (LIME) for efficient automation of particle-based simulations: application to equation of state generation

NASA Astrophysics Data System (ADS)

Barnes, Brian C.; Leiter, Kenneth W.; Becker, Richard; Knap, Jaroslaw; Brennan, John K.

2017-07-01

We describe the development, accuracy, and efficiency of an automation package for molecular simulation, the large-scale atomic/molecular massively parallel simulator (LAMMPS) integrated materials engine (LIME). Heuristics and algorithms employed for equation of state (EOS) calculation using a particle-based model of a molecular crystal, hexahydro-1,3,5-trinitro-s-triazine (RDX), are described in detail. The simulation method for the particle-based model is energy-conserving dissipative particle dynamics, but the techniques used in LIME are generally applicable to molecular dynamics simulations with a variety of particle-based models. The newly created tool set is tested through use of its EOS data in plate impact and Taylor anvil impact continuum simulations of solid RDX. The coarse-grain model results from LIME provide an approach to bridge the scales from atomistic simulations to continuum simulations.

Results of Small-scale Solid Rocket Combustion Simulator testing at Marshall Space Flight Center

NASA Technical Reports Server (NTRS)

Goldberg, Benjamin E.; Cook, Jerry

1993-01-01

The Small-scale Solid Rocket Combustion Simulator (SSRCS) program was established at the Marshall Space Flight Center (MSFC), and used a government/industry team consisting of Hercules Aerospace Corporation, Aerotherm Corporation, United Technology Chemical Systems Division, Thiokol Corporation and MSFC personnel to study the feasibility of simulating the combustion species, temperatures and flow fields of a conventional solid rocket motor (SRM) with a versatile simulator system. The SSRCS design is based on hybrid rocket motor principles. The simulator uses a solid fuel and a gaseous oxidizer. Verification of the feasibility of a SSRCS system as a test bed was completed using flow field and system analyses, as well as empirical test data. A total of 27 hot firings of a subscale SSRCS motor were conducted at MSFC. Testing of the Small-scale SSRCS program was completed in October 1992. This paper, a compilation of reports from the above team members and additional analysis of the instrumentation results, will discuss the final results of the analyses and test programs.

RANS Simulation (Virtual Blade Model [VBM]) of Single Full Scale DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Aliseda, Alberto

2013-04-10

Attached are the .cas and .dat files along with the required User Defined Functions (UDFs) and look-up table of lift and drag coefficients for Reynolds Averaged Navier-Stokes (RANS) simulation of a single full scale DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. In this case study the flow field around and in the wake of the full scale DOE RM1 turbine is simulated using Blade Element Model (a.k.a Virtual Blade Model) by solving RANS equations coupled with k-\\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of device and structure of it's turbulent far wake. Due to the simplifications implemented for modeling the rotating blades in this model, VBM is limited to capture details of the flow field in near wake region of the device.

Atomistic and coarse-grained computer simulations of raft-like lipid mixtures.

PubMed

Pandit, Sagar A; Scott, H Larry

2007-01-01

Computer modeling can provide insights into the existence, structure, size, and thermodynamic stability of localized raft-like regions in membranes. However, the challenges in the construction and simulation of accurate models of heterogeneous membranes are great. The primary obstacle in modeling the lateral organization within a membrane is the relatively slow lateral diffusion rate for lipid molecules. Microsecond or longer time-scales are needed to fully model the formation and stability of a raft in a membra ne. Atomistic simulations currently are not able to reach this scale, but they do provide quantitative information on the intermolecular forces and correlations that are involved in lateral organization. In this chapter, the steps needed to carry out and analyze atomistic simulations of hydrated lipid bilayers having heterogeneous composition are outlined. It is then shown how the data from a molecular dynamics simulation can be used to construct a coarse-grained model for the heterogeneous bilayer that can predict the lateral organization and stability of rafts at up to millisecond time-scales.

Particle-in-cell simulation study of the scaling of asymmetric magnetic reconnection with in-plane flow shear

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

Doss, C. E.; Cassak, P. A., E-mail: Paul.Cassak@mail.wvu.edu; Swisdak, M.

2016-08-15

We investigate magnetic reconnection in systems simultaneously containing asymmetric (anti-parallel) magnetic fields, asymmetric plasma densities and temperatures, and arbitrary in-plane bulk flow of plasma in the upstream regions. Such configurations are common in the high-latitudes of Earth's magnetopause and in tokamaks. We investigate the convection speed of the X-line, the scaling of the reconnection rate, and the condition for which the flow suppresses reconnection as a function of upstream flow speeds. We use two-dimensional particle-in-cell simulations to capture the mixing of plasma in the outflow regions better than is possible in fluid modeling. We perform simulations with asymmetric magnetic fields,more » simulations with asymmetric densities, and simulations with magnetopause-like parameters where both are asymmetric. For flow speeds below the predicted cutoff velocity, we find good scaling agreement with the theory presented in Doss et al. [J. Geophys. Res. 120, 7748 (2015)]. Applications to planetary magnetospheres, tokamaks, and the solar wind are discussed.« less

Challenge toward the prediction of typhoon behaviour and down pour

NASA Astrophysics Data System (ADS)

Takahashi, K.; Onishi, R.; Baba, Y.; Kida, S.; Matsuda, K.; Goto, K.; Fuchigami, H.

2013-08-01

Mechanisms of interactions among different scale phenomena play important roles for forecasting of weather and climate. Multi-scale Simulator for the Geoenvironment (MSSG), which deals with multi-scale multi-physics phenomena, is a coupled non-hydrostatic atmosphere-ocean model designed to be run efficiently on the Earth Simulator. We present simulation results with the world-highest 1.9km horizontal resolution for the entire globe and regional heavy rain with 1km horizontal resolution and 5m horizontal/vertical resolution for urban area simulation. To gain high performance by exploiting the system capabilities, we propose novel performance evaluation metrics introduced in previous studies that incorporate the effects of the data caching mechanism between CPU and memory. With a useful code optimization guideline based on such metrics, we demonstrate that MSSG can achieve an excellent peak performance ratio of 32.2% on the Earth Simulator with the single-core performance found to be a key to a reduced time-to-solution.

Numerical models for fluid-grains interactions: opportunities and limitations

NASA Astrophysics Data System (ADS)

Esteghamatian, Amir; Rahmani, Mona; Wachs, Anthony

2017-06-01

In the framework of a multi-scale approach, we develop numerical models for suspension flows. At the micro scale level, we perform particle-resolved numerical simulations using a Distributed Lagrange Multiplier/Fictitious Domain approach. At the meso scale level, we use a two-way Euler/Lagrange approach with a Gaussian filtering kernel to model fluid-solid momentum transfer. At both the micro and meso scale levels, particles are individually tracked in a Lagrangian way and all inter-particle collisions are computed by a Discrete Element/Soft-sphere method. The previous numerical models have been extended to handle particles of arbitrary shape (non-spherical, angular and even non-convex) as well as to treat heat and mass transfer. All simulation tools are fully-MPI parallel with standard domain decomposition and run on supercomputers with a satisfactory scalability on up to a few thousands of cores. The main asset of multi scale analysis is the ability to extend our comprehension of the dynamics of suspension flows based on the knowledge acquired from the high-fidelity micro scale simulations and to use that knowledge to improve the meso scale model. We illustrate how we can benefit from this strategy for a fluidized bed, where we introduce a stochastic drag force model derived from micro-scale simulations to recover the proper level of particle fluctuations. Conversely, we discuss the limitations of such modelling tools such as their limited ability to capture lubrication forces and boundary layers in highly inertial flows. We suggest ways to overcome these limitations in order to enhance further the capabilities of the numerical models.

Simulating neural systems with Xyce.

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

Schiek, Richard Louis; Thornquist, Heidi K.; Mei, Ting

2012-12-01

Sandias parallel circuit simulator, Xyce, can address large scale neuron simulations in a new way extending the range within which one can perform high-fidelity, multi-compartment neuron simulations. This report documents the implementation of neuron devices in Xyce, their use in simulation and analysis of neuron systems.

Numerical study of anomalous dynamic scaling behaviour of (1+1)-dimensional Das Sarma-Tamborenea model

NASA Astrophysics Data System (ADS)

Xun, Zhi-Peng; Tang, Gang; Han, Kui; Hao, Da-Peng; Xia, Hui; Zhou, Wei; Yang, Xi-Quan; Wen, Rong-Ji; Chen, Yu-Ling

2010-07-01

In order to discuss the finite-size effect and the anomalous dynamic scaling behaviour of Das Sarma-Tamborenea growth model, the (1+1)-dimensional Das Sarma-Tamborenea model is simulated on a large length scale by using the kinetic Monte-Carlo method. In the simulation, noise reduction technique is used in order to eliminate the crossover effect. Our results show that due to the existence of the finite-size effect, the effective global roughness exponent of the (1+1)-dimensional Das Sarma-Tamborenea model systematically decreases with system size L increasing when L > 256. This finding proves the conjecture by Aarao Reis[Aarao Reis F D A 2004 Phys. Rev. E 70 031607]. In addition, our simulation results also show that the Das Sarma-Tamborenea model in 1+1 dimensions indeed exhibits intrinsic anomalous scaling behaviour.

Parsec-Scale Obscuring Accretion Disk with Large-Scale Magnetic Field in AGNs

NASA Technical Reports Server (NTRS)

Dorodnitsyn, A.; Kallman, T.

2017-01-01

A magnetic field dragged from the galactic disk, along with inflowing gas, can provide vertical support to the geometrically and optically thick pc (parsec) -scale torus in AGNs (Active Galactic Nuclei). Using the Soloviev solution initially developed for Tokamaks, we derive an analytical model for a rotating torus that is supported and confined by a magnetic field. We further perform three-dimensional magneto-hydrodynamic simulations of X-ray irradiated, pc-scale, magnetized tori. We follow the time evolution and compare models that adopt initial conditions derived from our analytic model with simulations in which the initial magnetic flux is entirely contained within the gas torus. Numerical simulations demonstrate that the initial conditions based on the analytic solution produce a longer-lived torus that produces obscuration that is generally consistent with observed constraints.

Numerical simulation of turbulence and terahertz magnetosonic waves generation in collisionless plasmas

NASA Astrophysics Data System (ADS)

Kumar, Narender; Singh, Ram Kishor; Sharma, Swati; Uma, R.; Sharma, R. P.

2018-01-01

This paper presents numerical simulations of laser beam (x-mode) coupling with a magnetosonic wave (MSW) in a collisionless plasma. The coupling arises through ponderomotive non-linearity. The pump beam has been perturbed by a periodic perturbation that leads to the nonlinear evolution of the laser beam. It is observed that the frequency spectra of the MSW have peaks at terahertz frequencies. The simulation results show quite complex localized structures that grow with time. The ensemble averaged power spectrum has also been studied which indicates that the spectral index follows an approximate scaling of the order of ˜ k-2.1 at large scales and scaling of the order of ˜ k-3.6 at smaller scales. The results indicate considerable randomness in the spatial structure of the magnetic field profile which gives sufficient indication of turbulence.

Kinetic dissipation and anisotropic heating in a turbulent collisionless plasma

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

Parashar, T. N.; Shay, M. A.; Cassak, P. A.

The kinetic evolution of the Orszag-Tang vortex is studied using collisionless hybrid simulations. In magnetohydrodynamics (MHD) this configuration leads rapidly to broadband turbulence. At large length scales, the evolution of the hybrid simulations is very similar to MHD, with magnetic power spectra displaying scaling similar to a Kolmogorov scaling of -5/3. At small scales, differences from MHD arise, as energy dissipates into heat almost exclusively through the magnetic field. The magnetic energy spectrum of the hybrid simulation shows a break where linear theory predicts that the Hall term in Ohm's law becomes significant, leading to dispersive kinetic Alfven waves. Amore » key result is that protons are heated preferentially in the plane perpendicular to the mean magnetic field, creating a proton temperature anisotropy of the type observed in the corona and solar wind.« less

Structure and modeling of turbulence

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

Novikov, E.A.

The {open_quotes}vortex strings{close_quotes} scale l{sub s} {approximately} LRe{sup -3/10} (L-external scale, Re - Reynolds number) is suggested as a grid scale for the large-eddy simulation. Various aspects of the structure of turbulence and subgrid modeling are described in terms of conditional averaging, Markov processes with dependent increments and infinitely divisible distributions. The major request from the energy, naval, aerospace and environmental engineering communities to the theory of turbulence is to reduce the enormous number of degrees of freedom in turbulent flows to a level manageable by computer simulations. The vast majority of these degrees of freedom is in the small-scalemore » motion. The study of the structure of turbulence provides a basis for subgrid-scale (SGS) models, which are necessary for the large-eddy simulations (LES).« less

Parsec-scale Obscuring Accretion Disk with Large-scale Magnetic Field in AGNs

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

Dorodnitsyn, A.; Kallman, T.

A magnetic field dragged from the galactic disk, along with inflowing gas, can provide vertical support to the geometrically and optically thick pc-scale torus in AGNs. Using the Soloviev solution initially developed for Tokamaks, we derive an analytical model for a rotating torus that is supported and confined by a magnetic field. We further perform three-dimensional magneto-hydrodynamic simulations of X-ray irradiated, pc-scale, magnetized tori. We follow the time evolution and compare models that adopt initial conditions derived from our analytic model with simulations in which the initial magnetic flux is entirely contained within the gas torus. Numerical simulations demonstrate thatmore » the initial conditions based on the analytic solution produce a longer-lived torus that produces obscuration that is generally consistent with observed constraints.« less

Preduction of Vehicle Mobility on Large-Scale Soft-Soil Terrain Maps Using Physics-Based Simulation

DTIC Science & Technology

2016-08-02

PREDICTION OF VEHICLE MOBILITY ON LARGE-SCALE SOFT- SOIL TERRAIN MAPS USING PHYSICS-BASED SIMULATION Tamer M. Wasfy, Paramsothy Jayakumar, Dave...NRMM • Objectives • Soft Soils • Review of Physics-Based Soil Models • MBD/DEM Modeling Formulation – Joint & Contact Constraints – DEM Cohesive... Soil Model • Cone Penetrometer Experiment • Vehicle- Soil Model • Vehicle Mobility DOE Procedure • Simulation Results • Concluding Remarks 2UNCLASSIFIED

Dissipative particle dynamics simulations of polymer chains: scaling laws and shearing response compared to DNA experiments.

PubMed

Symeonidis, Vasileios; Em Karniadakis, George; Caswell, Bruce

2005-08-12

Dissipative particle dynamics simulations of several bead-spring representations of polymer chains in dilute solution are used to demonstrate the correct static scaling laws for the radius of gyration. Shear flow results for the wormlike chain simulating single DNA molecules compare well with average extensions from experiments, irrespective of the number of beads. However, coarse graining with more than a few beads degrades the agreement of the autocorrelation of the extension.

Investigating the ion-scale spectral break of solar wind turbulence from low to high plasma beta with high-resolution hybrid simulations

NASA Astrophysics Data System (ADS)

Franci, Luca; Landi, Simone; Matteini, Lorenzo; Verdini, Andrea; Hellinger, Petr

2016-04-01

We investigate the properties of the ion-scale spectral break of solar wind turbulence by means of two-dimensional, large-scale, high-resolution hybrid particle-in-cell simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we add a spectrum of in-plane large- scale magnetic and kinetic fluctuations, with energy equipartition and vanishing correlation. We perform a set of ten simulations with different values of the ion plasma beta, β_i. In all cases, we observe the power spectrum of the total magnetic fluctuations following a power law with a spectral index of -5/3 in the inertial range, with a smooth break around ion scales and a steeper power law in the sub-ion range. This spectral break always occurs at spatial scales of the order of the proton gyroradius, ρ_i, and the proton inertial length, di = ρi / √{β_i}. When the plasma beta is of the order of 1, the two scales are very close to each other and determining which is directly related to the steepening of the spectra it's not straightforward at all. In order to overcome this limitation, we extended the range of values of βi over three orders of magnitude, from 0.01 to 10, so that the two ion scales were well separated. This let us observe that the break always seems to occur at the larger of the two scales, i.e., at di for βi 1. The effect of βi on the spectra of the parallel and perpendicular magnetic components separately and of the density fluctuations is also investigated. We compare all our numerical results with solar wind observations and suggest possible explanations for our findings.

The Fragmentation Criteria in Local Vertically Stratified Self-gravitating Disk Simulations

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

Baehr, Hans; Klahr, Hubert; Kratter, Kaitlin M., E-mail: baehr@mpia.de

Massive circumstellar disks are prone to gravitational instabilities, which trigger the formation of spiral arms that can fragment into bound clumps under the right conditions. Two-dimensional simulations of self-gravitating disks are useful starting points for studying fragmentation because they allow high-resolution simulations of thin disks. However, convergence issues can arise in 2D from various sources. One of these sources is the 2D approximation of self-gravity, which exaggerates the effect of self-gravity on small scales when the potential is not smoothed to account for the assumed vertical extent of the disk. This effect is enhanced by increased resolution, resulting in fragmentationmore » at longer cooling timescales β . If true, it suggests that the 3D simulations of disk fragmentation may not have the same convergence problem and could be used to examine the nature of fragmentation without smoothing self-gravity on scales similar to the disk scale height. To that end, we have carried out local 3D self-gravitating disk simulations with simple β cooling with fixed background irradiation to determine if 3D is necessary to properly describe disk fragmentation. Above a resolution of ∼40 grid cells per scale height, we find that our simulations converge with respect to the cooling timescale. This result converges in agreement with analytic expectations which place a fragmentation boundary at β {sub crit} = 3.« less

3D ion-scale dynamics of BBFs and their associated emissions in Earth's magnetotail using 3D hybrid simulations and MMS multi-spacecraft observations

NASA Astrophysics Data System (ADS)

Breuillard, H.; Aunai, N.; Le Contel, O.; Catapano, F.; Alexandrova, A.; Retino, A.; Cozzani, G.; Gershman, D. J.; Giles, B. L.; Khotyaintsev, Y. V.; Lindqvist, P. A.; Ergun, R.; Strangeway, R. J.; Russell, C. T.; Magnes, W.; Plaschke, F.; Nakamura, R.; Fuselier, S. A.; Turner, D. L.; Schwartz, S. J.; Torbert, R. B.; Burch, J.

2017-12-01

Transient and localized jets of hot plasma, also known as Bursty Bulk Flows (BBFs), play a crucial role in Earth's magnetotail dynamics because the energy input from the solar wind is partly dissipated in their vicinity, notably in their embedded dipolarization front (DF). This dissipation is in the form of strong low-frequency waves that can heat and accelerate energetic particles up to the high-latitude plasma sheet. The ion-scale dynamics of BBFs have been revealed by the Cluster and THEMIS multi-spacecraft missions. However, the dynamics of BBF propagation in the magnetotail are still under debate due to instrumental limitations and spacecraft separation distances, as well as simulation limitations. The NASA/MMS fleet, which features unprecedented high time resolution instruments and four spacecraft separated by kinetic-scale distances, has also shown recently that the DF normal dynamics and its associated emissions are below the ion gyroradius scale in this region. Large variations in the dawn-dusk direction were also observed. However, most of large-scale simulations are using the MHD approach and are assumed 2D in the XZ plane. Thus, in this study we take advantage of both multi-spacecraft observations by MMS and large-scale 3D hybrid simulations to investigate the 3D dynamics of BBFs and their associated emissions at ion-scale in Earth's magnetotail, and their impact on particle heating and acceleration.

Experiment-scale molecular simulation study of liquid crystal thin films

NASA Astrophysics Data System (ADS)

Nguyen, Trung Dac; Carrillo, Jan-Michael Y.; Matheson, Michael A.; Brown, W. Michael

2014-03-01

Supercomputers have now reached a performance level adequate for studying thin films with molecular detail at the relevant scales. By exploiting the power of GPU accelerators on Titan, we have been able to perform simulations of characteristic liquid crystal films that provide remarkable qualitative agreement with experimental images. We have demonstrated that key features of spinodal instability can only be observed with sufficiently large system sizes, which were not accessible with previous simulation studies. Our study emphasizes the capability and significance of petascale simulations in providing molecular-level insights in thin film systems as well as other interfacial phenomena.

Dissipative particle dynamics simulations of polymersomes.

PubMed

Ortiz, Vanessa; Nielsen, Steven O; Discher, Dennis E; Klein, Michael L; Lipowsky, Reinhard; Shillcock, Julian

2005-09-22

A DPD model of PEO-based block copolymer vesicles in water is developed by introducing a new density based coarse graining and by using experimental data for interfacial tension. Simulated as a membrane patch, the DPD model is in excellent agreement with experimental data for both the area expansion modulus and the scaling of hydrophobic core thickness with molecular weight. Rupture simulations of polymer vesicles, or "polymersomes", are presented to illustrate the system sizes feasible with DPD. The results should provide guidance for theoretical derivations of scaling laws and also illustrate how spherical polymer vesicles might be studied in simulation.

UAS in the NAS Project: Large-Scale Communication Architecture Simulations with NASA GRC Gen5 Radio Model

NASA Technical Reports Server (NTRS)

Kubat, Gregory

2016-01-01

This report provides a description and performance characterization of the large-scale, Relay architecture, UAS communications simulation capability developed for the NASA GRC, UAS in the NAS Project. The system uses a validated model of the GRC Gen5 CNPC, Flight-Test Radio model. Contained in the report is a description of the simulation system and its model components, recent changes made to the system to improve performance, descriptions and objectives of sample simulations used for test and verification, and a sampling and observations of results and performance data.

Exact Turbulence Law in Collisionless Plasmas: Hybrid Simulations

NASA Astrophysics Data System (ADS)

Hellinger, P.; Verdini, A.; Landi, S.; Franci, L.; Matteini, L.

2017-12-01

An exact vectorial law for turbulence in homogeneous incompressible Hall-MHD is derived and tested in two-dimensional hybrid simulations of plasma turbulence. The simulations confirm the validity of the MHD exact law in the kinetic regime, the simulated turbulence exhibits a clear inertial range on large scales where the MHD cascade flux dominates. The simulation results also indicate that in the sub-ion range the cascade continues via the Hall term and that the total cascade rate tends to decrease at around the ion scales, especially in high-beta plasmas. This decrease is like owing to formation of non-thermal features, such as collisionless ion energization, that can not be retained in the Hall MHD approximation.

Investigating the Impact of Surface Heterogeneity on the Convective Boundary Layer Over Urban Areas Through Coupled Large-Eddy Simulation and Remote Sensing

NASA Technical Reports Server (NTRS)

Dominguez, Anthony; Kleissl, Jan P.; Luvall, Jeffrey C.

2011-01-01

Large-eddy Simulation (LES) was used to study convective boundary layer (CBL) flow through suburban regions with both large and small scale heterogeneities in surface temperature. Constant remotely sensed surface temperatures were applied at the surface boundary at resolutions of 10 m, 90 m, 200 m, and 1 km. Increasing the surface resolution from 1 km to 200 m had the most significant impact on the mean and turbulent flow characteristics as the larger scale heterogeneities became resolved. While previous studies concluded that scales of heterogeneity much smaller than the CBL inversion height have little impact on the CBL characteristics, we found that further increasing the surface resolution (resolving smaller scale heterogeneities) results in an increase in mean surface heat flux, thermal blending height, and potential temperature profile. The results of this study will help to better inform sub-grid parameterization for meso-scale meteorological models. The simulation tool developed through this study (combining LES and high resolution remotely sensed surface conditions) is a significant step towards future studies on the micro-scale meteorology in urban areas.

Prediction of Gas Injection Performance for Heterogeneous Reservoirs

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

Blunt, Martin J.; Orr, Franklin M.

This report describes research carried out in the Department of Petroleum Engineering at Stanford University from September 1997 - September 1998 under the second year of a three-year grant from the Department of Energy on the "Prediction of Gas Injection Performance for Heterogeneous Reservoirs." The research effort is an integrated study of the factors affecting gas injection, from the pore scale to the field scale, and involves theoretical analysis, laboratory experiments, and numerical simulation. The original proposal described research in four areas: (1) Pore scale modeling of three phase flow in porous media; (2) Laboratory experiments and analysis of factorsmore » influencing gas injection performance at the core scale with an emphasis on the fundamentals of three phase flow; (3) Benchmark simulations of gas injection at the field scale; and (4) Development of streamline-based reservoir simulator. Each state of the research is planned to provide input and insight into the next stage, such that at the end we should have an integrated understanding of the key factors affecting field scale displacements.« less

Cosmicflows Constrained Local UniversE Simulations

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.; Gottlöber, Stefan; Yepes, Gustavo; Hoffman, Yehuda; Courtois, Helene M.; Steinmetz, Matthias; Tully, R. Brent; Pomarède, Daniel; Carlesi, Edoardo

2016-01-01

This paper combines observational data sets and cosmological simulations to generate realistic numerical replicas of the nearby Universe. The latter are excellent laboratories for studies of the non-linear process of structure formation in our neighbourhood. With measurements of radial peculiar velocities in the local Universe (cosmicflows-2) and a newly developed technique, we produce Constrained Local UniversE Simulations (CLUES). To assess the quality of these constrained simulations, we compare them with random simulations as well as with local observations. The cosmic variance, defined as the mean one-sigma scatter of cell-to-cell comparison between two fields, is significantly smaller for the constrained simulations than for the random simulations. Within the inner part of the box where most of the constraints are, the scatter is smaller by a factor of 2 to 3 on a 5 h-1 Mpc scale with respect to that found for random simulations. This one-sigma scatter obtained when comparing the simulated and the observation-reconstructed velocity fields is only 104 ± 4 km s-1, I.e. the linear theory threshold. These two results demonstrate that these simulations are in agreement with each other and with the observations of our neighbourhood. For the first time, simulations constrained with observational radial peculiar velocities resemble the local Universe up to a distance of 150 h-1 Mpc on a scale of a few tens of megaparsecs. When focusing on the inner part of the box, the resemblance with our cosmic neighbourhood extends to a few megaparsecs (<5 h-1 Mpc). The simulations provide a proper large-scale environment for studies of the formation of nearby objects.

Full-Scale Numerical Modeling of Turbulent Processes in the Earth's Ionosphere

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

Eliasson, B.; Stenflo, L.; Department of Physics, Linkoeping University, SE-581 83 Linkoeping

2008-10-15

We present a full-scale simulation study of ionospheric turbulence by means of a generalized Zakharov model based on the separation of variables into high-frequency and slow time scales. The model includes realistic length scales of the ionospheric profile and of the electromagnetic and electrostatic fields, and uses ionospheric plasma parameters relevant for high-latitude radio facilities such as Eiscat and HAARP. A nested grid numerical method has been developed to resolve the different length-scales, while avoiding severe restrictions on the time step. The simulation demonstrates the parametric decay of the ordinary mode into Langmuir and ion-acoustic waves, followed by a Langmuirmore » wave collapse and short-scale caviton formation, as observed in ionospheric heating experiments.« less

Multifractal characterisation of a simulated surface flow: A case study with Multi-Hydro in Jouy-en-Josas, France

NASA Astrophysics Data System (ADS)

Gires, Auguste; Abbes, Jean-Baptiste; da Silva Rocha Paz, Igor; Tchiguirinskaia, Ioulia; Schertzer, Daniel

2018-03-01

In this paper we suggest to innovatively use scaling laws and more specifically Universal Multifractals (UM) to analyse simulated surface runoff and compare the retrieved scaling features with the rainfall ones. The methodology is tested on a 3 km2 semi-urbanised with a steep slope study area located in the Paris area along the Bièvre River. First Multi-Hydro, a fully distributed model is validated on this catchment for four rainfall events measured with the help of a C-band radar. The uncertainty associated with small scale unmeasured rainfall, i.e. occurring below the 1 km × 1 km × 5 min observation scale, is quantified with the help of stochastic downscaled rainfall fields. It is rather significant for simulated flow and more limited on overland water depth for these rainfall events. Overland depth is found to exhibit a scaling behaviour over small scales (10 m-80 m) which can be related to fractal features of the sewer network. No direct and obvious dependency between the overland depth multifractal features (quality of the scaling and UM parameters) and the rainfall ones was found.

Scaling analysis and SE simulation of the tilted cylinder-interface capillary interaction

NASA Astrophysics Data System (ADS)

Gao, S. Q.; Zhang, X. Y.; Zhou, Y. H.

2018-06-01

The capillary interaction induced by a tilted cylinder and interface is the basic configuration of many complex systems, such as micro-pillar arrays clustering, super-hydrophobicity of hairy surface, water-walking insects, and fiber aggregation. We systematically analyzed the scaling laws of tilt angle, contact angle, and cylinder radius on the contact line shape by SE simulation and experiment. The following in-depth analysis of the characteristic parameters (shift, stretch and distortion) of the deformed contact lines reveals the self-similar shape of contact line. Then a general capillary force scaling law is proposed to incredibly grasp all the simulated and experimental data by a quite straightforward ellipse approximation approach.

Review of Dynamic Modeling and Simulation of Large Scale Belt Conveyor System

NASA Astrophysics Data System (ADS)

He, Qing; Li, Hong

Belt conveyor is one of the most important devices to transport bulk-solid material for long distance. Dynamic analysis is the key to decide whether the design is rational in technique, safe and reliable in running, feasible in economy. It is very important to study dynamic properties, improve efficiency and productivity, guarantee conveyor safe, reliable and stable running. The dynamic researches and applications of large scale belt conveyor are discussed. The main research topics, the state-of-the-art of dynamic researches on belt conveyor are analyzed. The main future works focus on dynamic analysis, modeling and simulation of main components and whole system, nonlinear modeling, simulation and vibration analysis of large scale conveyor system.

A Metascalable Computing Framework for Large Spatiotemporal-Scale Atomistic Simulations

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

Nomura, K; Seymour, R; Wang, W

2009-02-17

A metascalable (or 'design once, scale on new architectures') parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials based on spatiotemporal data locality principles, which is expected to scale on emerging multipetaflops architectures. The framework consists of: (1) an embedded divide-and-conquer (EDC) algorithmic framework based on spatial locality to design linear-scaling algorithms for high complexity problems; (2) a space-time-ensemble parallel (STEP) approach based on temporal locality to predict long-time dynamics, while introducing multiple parallelization axes; and (3) a tunable hierarchical cellular decomposition (HCD) parallelization framework to map these O(N) algorithms onto a multicore cluster based onmore » hybrid implementation combining message passing and critical section-free multithreading. The EDC-STEP-HCD framework exposes maximal concurrency and data locality, thereby achieving: (1) inter-node parallel efficiency well over 0.95 for 218 billion-atom molecular-dynamics and 1.68 trillion electronic-degrees-of-freedom quantum-mechanical simulations on 212,992 IBM BlueGene/L processors (superscalability); (2) high intra-node, multithreading parallel efficiency (nanoscalability); and (3) nearly perfect time/ensemble parallel efficiency (eon-scalability). The spatiotemporal scale covered by MD simulation on a sustained petaflops computer per day (i.e. petaflops {center_dot} day of computing) is estimated as NT = 2.14 (e.g. N = 2.14 million atoms for T = 1 microseconds).« less

Preferential flow across scales: how important are plot scale processes for a catchment scale model?

NASA Astrophysics Data System (ADS)

Glaser, Barbara; Jackisch, Conrad; Hopp, Luisa; Klaus, Julian

2017-04-01

Numerous experimental studies showed the importance of preferential flow for solute transport and runoff generation. As a consequence, various approaches exist to incorporate preferential flow in hydrological models. However, few studies have applied models that incorporate preferential flow at hillslope scale and even fewer at catchment scale. Certainly, one main difficulty for progress is the determination of an adequate parameterization for preferential flow at these spatial scales. This study applies a 3D physically based model (HydroGeoSphere) of a headwater region (6 ha) of the Weierbach catchment (Luxembourg). The base model was implemented without preferential flow and was limited in simulating fast catchment responses. Thus we hypothesized that the discharge performance can be improved by utilizing a dual permeability approach for a representation of preferential flow. We used the information of bromide irrigation experiments performed on three 1m2 plots to parameterize preferential flow. In a first step we ran 20.000 Monte Carlo simulations of these irrigation experiments in a 1m2 column of the headwater catchment model, varying the dual permeability parameters (15 variable parameters). These simulations identified many equifinal, yet very different parameter sets that reproduced the bromide depth profiles well. Therefore, in the next step we chose 52 parameter sets (the 40 best and 12 low performing sets) for testing the effect of incorporating preferential flow in the headwater catchment scale model. The variability of the flow pattern responses at the headwater catchment scale was small between the different parameterizations and did not coincide with the variability at plot scale. The simulated discharge time series of the different parameterizations clustered in six groups of similar response, ranging from nearly unaffected to completely changed responses compared to the base case model without dual permeability. Yet, in none of the groups the simulated discharge response clearly improved compared to the base case. Same held true for some observed soil moisture time series, although at plot scale the incorporation of preferential flow was necessary to simulate the irrigation experiments correctly. These results rejected our hypothesis and open a discussion on how important plot scale processes and heterogeneities are at catchment scale. Our preliminary conclusion is that vertical preferential flow is important for the irrigation experiments at the plot scale, while discharge generation at the catchment scale is largely controlled by lateral preferential flow. The lateral component, however, was already considered in the base case model with different hydraulic conductivities in different soil layers. This can explain why the internal behavior of the model at single spots seems not to be relevant for the overall hydrometric catchment response. Nonetheless, the inclusion of vertical preferential flow improved the realism of internal processes of the model (fitting profiles at plot scale, unchanged response at catchment scale) and should be considered depending on the intended use of the model. Furthermore, we cannot exclude with certainty yet that the quantitative discharge performance at catchment scale cannot be improved by utilizing a dual permeability approach, which will be tested in parameter optimization process.

Teachers' Perceptions of Teaching in Workplace Simulations in Vocational Education

ERIC Educational Resources Information Center

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

2015-01-01

In a large-scale top-down innovation operation in the Netherlands, workplace simulations have been implemented in vocational schools, where students are required to work independently and self-direct their learning. However, research has shown that the success of such large-scale top-down innovations depends on how well their execution in schools…

75 FR 28200 - Safety Zone; Washington State Department of Transportation Ferries Division Marine Rescue...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-20

... (M2R) Full-Scale Exercise for a Mass Rescue Incident (MRI) AGENCY: Coast Guard, DHS. ACTION: Temporary... simulate a mass rescue incident (MRI) and will involve an abandon ship scenario with multiple response... full scale exercise which will simulate a MRI to provide training in specific emergency response...

Flow field prediction in full-scale Carrousel oxidation ditch by using computational fluid dynamics.

PubMed

Yang, Yin; Wu, Yingying; Yang, Xiao; Zhang, Kai; Yang, Jiakuan

2010-01-01

In order to optimize the flow field in a full-scale Carrousel oxidation ditch with many sets of disc aerators operating simultaneously, an experimentally validated numerical tool, based on computational fluid dynamics (CFD), was proposed. A full-scale, closed-loop bioreactor (Carrousel oxidation ditch) in Ping Dingshan Sewage Treatment Plant in Ping Dingshan City, a medium-sized city in Henan Province of China, was evaluated using CFD. Moving wall model was created to simulate many sets of disc aerators which created fluid motion in the ditch. The simulated results were acceptable compared with the experimental data and the following results were obtained: (1) a new method called moving wall model could simulate the flow field in Carrousel oxidation ditch with many sets of disc aerators operating simultaneously. The whole number of cells of grids decreased significantly, thus the calculation amount decreased, and (2) CFD modeling generally characterized the flow pattern in the full-scale tank. 3D simulation could be a good supplement for improving the hydrodynamic performance in oxidation ditch designs.

Finite Element Simulation of Three Full-Scale Crash Tests for Cessna 172 Aircraft

NASA Technical Reports Server (NTRS)

Mason, Brian H.; Warren, Jerry E., Jr.

2017-01-01

The NASA Emergency Locator Transmitter Survivability and Reliability (ELT-SAR) project was initiated in 2013 to assess the crash performance standards for the next generation of emergency locator transmitter (ELT) systems. Three Cessna 172 aircraft were acquired to perform crash testing at NASA Langley Research Center's Landing and Impact Research Facility. Full-scale crash tests were conducted in the summer of 2015 and each test article was subjected to severe, but survivable, impact conditions including a flare-to-stall during emergency landing, and two controlled-flight-into-terrain scenarios. Full-scale finite element analyses were performed using a commercial explicit solver, ABAQUS. The first test simulated impacting a concrete surface represented analytically by a rigid plane. Tests 2 and 3 simulated impacting a dirt surface represented analytically by an Eulerian grid of brick elements using a Mohr-Coulomb material model. The objective of this paper is to summarize the test and analysis results for the three full-scale crash tests. Simulation models of the airframe which correlate well with the tests are needed for future studies of alternate ELT mounting configurations.

Parallel Adjective High-Order CFD Simulations Characterizing SOFIA Cavity Acoustics

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.; Biswas, Rupak

2016-01-01

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A temporally fourth-order accurate Runge-Kutta, and spatially fth-order accurate WENO- 5Z scheme was used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

Parallel Adaptive High-Order CFD Simulations Characterizing SOFIA Cavitiy Acoustics

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.; Biswas, Rupak

2015-01-01

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A tempo- rally fourth-order accurate Runge-Kutta, and a spatially fth-order accurate WENO-5Z scheme were used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

Performance of Renormalization Group Algebraic Turbulence Model on Boundary Layer Transition Simulation

NASA Technical Reports Server (NTRS)

Ahn, Kyung H.

1994-01-01

The RNG-based algebraic turbulence model, with a new method of solving the cubic equation and applying new length scales, is introduced. An analysis is made of the RNG length scale which was previously reported and the resulting eddy viscosity is compared with those from other algebraic turbulence models. Subsequently, a new length scale is introduced which actually uses the two previous RNG length scales in a systematic way to improve the model performance. The performance of the present RNG model is demonstrated by simulating the boundary layer flow over a flat plate and the flow over an airfoil.

A Multi-Stage Method for Connecting Participatory Sensing and Noise Simulations

PubMed Central

Hu, Mingyuan; Che, Weitao; Zhang, Qiuju; Luo, Qingli; Lin, Hui

2015-01-01

Most simulation-based noise maps are important for official noise assessment but lack local noise characteristics. The main reasons for this lack of information are that official noise simulations only provide information about expected noise levels, which is limited by the use of large-scale monitoring of noise sources, and are updated infrequently. With the emergence of smart cities and ubiquitous sensing, the possible improvements enabled by sensing technologies provide the possibility to resolve this problem. This study proposed an integrated methodology to propel participatory sensing from its current random and distributed sampling origins to professional noise simulation. The aims of this study were to effectively organize the participatory noise data, to dynamically refine the granularity of the noise features on road segments (e.g., different portions of a road segment), and then to provide a reasonable spatio-temporal data foundation to support noise simulations, which can be of help to researchers in understanding how participatory sensing can play a role in smart cities. This study first discusses the potential limitations of the current participatory sensing and simulation-based official noise maps. Next, we explain how participatory noise data can contribute to a simulation-based noise map by providing (1) spatial matching of the participatory noise data to the virtual partitions at a more microscopic level of road networks; (2) multi-temporal scale noise estimations at the spatial level of virtual partitions; and (3) dynamic aggregation of virtual partitions by comparing the noise values at the relevant temporal scale to form a dynamic segmentation of each road segment to support multiple spatio-temporal noise simulations. In this case study, we demonstrate how this method could play a significant role in a simulation-based noise map. Together, these results demonstrate the potential benefits of participatory noise data as dynamic input sources for noise simulations on multiple spatio-temporal scales. PMID:25621604

A multi-stage method for connecting participatory sensing and noise simulations.

PubMed

Hu, Mingyuan; Che, Weitao; Zhang, Qiuju; Luo, Qingli; Lin, Hui

2015-01-22

Most simulation-based noise maps are important for official noise assessment but lack local noise characteristics. The main reasons for this lack of information are that official noise simulations only provide information about expected noise levels, which is limited by the use of large-scale monitoring of noise sources, and are updated infrequently. With the emergence of smart cities and ubiquitous sensing, the possible improvements enabled by sensing technologies provide the possibility to resolve this problem. This study proposed an integrated methodology to propel participatory sensing from its current random and distributed sampling origins to professional noise simulation. The aims of this study were to effectively organize the participatory noise data, to dynamically refine the granularity of the noise features on road segments (e.g., different portions of a road segment), and then to provide a reasonable spatio-temporal data foundation to support noise simulations, which can be of help to researchers in understanding how participatory sensing can play a role in smart cities. This study first discusses the potential limitations of the current participatory sensing and simulation-based official noise maps. Next, we explain how participatory noise data can contribute to a simulation-based noise map by providing (1) spatial matching of the participatory noise data to the virtual partitions at a more microscopic level of road networks; (2) multi-temporal scale noise estimations at the spatial level of virtual partitions; and (3) dynamic aggregation of virtual partitions by comparing the noise values at the relevant temporal scale to form a dynamic segmentation of each road segment to support multiple spatio-temporal noise simulations. In this case study, we demonstrate how this method could play a significant role in a simulation-based noise map. Together, these results demonstrate the potential benefits of participatory noise data as dynamic input sources for noise simulations on multiple spatio-temporal scales.

Impact of bias correction and downscaling through quantile mapping on simulated climate change signal: a case study over Central Italy

NASA Astrophysics Data System (ADS)

Sangelantoni, Lorenzo; Russo, Aniello; Gennaretti, Fabio

2018-02-01

Quantile mapping (QM) represents a common post-processing technique used to connect climate simulations to impact studies at different spatial scales. Depending on the simulation-observation spatial scale mismatch, QM can be used for two different applications. The first application uses only the bias correction component, establishing transfer functions between observations and simulations at similar spatial scales. The second application includes a statistical downscaling component when point-scale observations are considered. However, knowledge of alterations to climate change signal (CCS) resulting from these two applications is limited. This study investigates QM impacts on the original temperature and precipitation CCSs when applied according to a bias correction only (BC-only) and a bias correction plus downscaling (BC + DS) application over reference stations in Central Italy. BC-only application is used to adjust regional climate model (RCM) simulations having the same resolution as the observation grid. QM BC + DS application adjusts the same simulations to point-wise observations. QM applications alter CCS mainly for temperature. BC-only application produces a CCS of the median 1 °C lower than the original ( 4.5 °C). BC + DS application produces CCS closer to the original, except over the summer 95th percentile, where substantial amplification of the original CCS resulted. The impacts of the two applications are connected to the ratio between the observed and the simulated standard deviation (STD) of the calibration period. For the precipitation, original CCS is essentially preserved in both applications. Yet, calibration period STD ratio cannot predict QM impact on the precipitation CCS when simulated STD and mean are similarly misrepresented.

WarpIV: In situ visualization and analysis of ion accelerator simulations

DOE PAGES

Rubel, Oliver; Loring, Burlen; Vay, Jean -Luc; ...

2016-05-09

The generation of short pulses of ion beams through the interaction of an intense laser with a plasma sheath offers the possibility of compact and cheaper ion sources for many applications--from fast ignition and radiography of dense targets to hadron therapy and injection into conventional accelerators. To enable the efficient analysis of large-scale, high-fidelity particle accelerator simulations using the Warp simulation suite, the authors introduce the Warp In situ Visualization Toolkit (WarpIV). WarpIV integrates state-of-the-art in situ visualization and analysis using VisIt with Warp, supports management and control of complex in situ visualization and analysis workflows, and implements integrated analyticsmore » to facilitate query- and feature-based data analytics and efficient large-scale data analysis. WarpIV enables for the first time distributed parallel, in situ visualization of the full simulation data using high-performance compute resources as the data is being generated by Warp. The authors describe the application of WarpIV to study and compare large 2D and 3D ion accelerator simulations, demonstrating significant differences in the acceleration process in 2D and 3D simulations. WarpIV is available to the public via https://bitbucket.org/berkeleylab/warpiv. The Warp In situ Visualization Toolkit (WarpIV) supports large-scale, parallel, in situ visualization and analysis and facilitates query- and feature-based analytics, enabling for the first time high-performance analysis of large-scale, high-fidelity particle accelerator simulations while the data is being generated by the Warp simulation suite. Furthermore, this supplemental material https://extras.computer.org/extra/mcg2016030022s1.pdf provides more details regarding the memory profiling and optimization and the Yee grid recentering optimization results discussed in the main article.« less

Astrophysical N-body Simulations Using Hierarchical Tree Data Structures

NASA Astrophysics Data System (ADS)

Warren, M. S.; Salmon, J. K.

The authors report on recent large astrophysical N-body simulations executed on the Intel Touchstone Delta system. They review the astrophysical motivation and the numerical techniques and discuss steps taken to parallelize these simulations. The methods scale as O(N log N), for large values of N, and also scale linearly with the number of processors. The performance sustained for a duration of 67 h, was between 5.1 and 5.4 Gflop/s on a 512-processor system.

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

Elber, Ron

Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances.

Simulation of all-scale atmospheric dynamics on unstructured meshes

NASA Astrophysics Data System (ADS)

Smolarkiewicz, Piotr K.; Szmelter, Joanna; Xiao, Feng

2016-10-01

The advance of massively parallel computing in the nineteen nineties and beyond encouraged finer grid intervals in numerical weather-prediction models. This has improved resolution of weather systems and enhanced the accuracy of forecasts, while setting the trend for development of unified all-scale atmospheric models. This paper first outlines the historical background to a wide range of numerical methods advanced in the process. Next, the trend is illustrated with a technical review of a versatile nonoscillatory forward-in-time finite-volume (NFTFV) approach, proven effective in simulations of atmospheric flows from small-scale dynamics to global circulations and climate. The outlined approach exploits the synergy of two specific ingredients: the MPDATA methods for the simulation of fluid flows based on the sign-preserving properties of upstream differencing; and the flexible finite-volume median-dual unstructured-mesh discretisation of the spatial differential operators comprising PDEs of atmospheric dynamics. The paper consolidates the concepts leading to a family of generalised nonhydrostatic NFTFV flow solvers that include soundproof PDEs of incompressible Boussinesq, anelastic and pseudo-incompressible systems, common in large-eddy simulation of small- and meso-scale dynamics, as well as all-scale compressible Euler equations. Such a framework naturally extends predictive skills of large-eddy simulation to the global atmosphere, providing a bottom-up alternative to the reverse approach pursued in the weather-prediction models. Theoretical considerations are substantiated by calculations attesting to the versatility and efficacy of the NFTFV approach. Some prospective developments are also discussed.

Weakened Magnetization and Onset of Large-scale Turbulence in the Young Solar Wind—Comparisons of Remote Sensing Observations with Simulation

NASA Astrophysics Data System (ADS)

Chhiber, Rohit; Usmanov, Arcadi V.; DeForest, Craig E.; Matthaeus, William H.; Parashar, Tulasi N.; Goldstein, Melvyn L.

2018-04-01

Recent analysis of Solar-Terrestrial Relations Observatory (STEREO) imaging observations have described the early stages of the development of turbulence in the young solar wind in solar minimum conditions. Here we extend this analysis to a global magnetohydrodynamic (MHD) simulation of the corona and solar wind based on inner boundary conditions, either dipole or magnetogram type, that emulate solar minimum. The simulations have been calibrated using Ulysses and 1 au observations, and allow, within a well-understood context, a precise determination of the location of the Alfvén critical surfaces and the first plasma beta equals unity surfaces. The compatibility of the the STEREO observations and the simulations is revealed by direct comparisons. Computation of the radial evolution of second-order magnetic field structure functions in the simulations indicates a shift toward more isotropic conditions at scales of a few Gm, as seen in the STEREO observations in the range 40–60 R ⊙. We affirm that the isotropization occurs in the vicinity of the first beta unity surface. The interpretation based on early stages of in situ solar wind turbulence evolution is further elaborated, emphasizing the relationship of the observed length scales to the much smaller scales that eventually become the familiar turbulence inertial range cascade. We argue that the observed dynamics is the very early manifestation of large-scale in situ nonlinear couplings that drive turbulence and heating in the solar wind.

Challenges of NDE Simulation Tool Challenges of NDE Simulation Tool

NASA Technical Reports Server (NTRS)

Leckey, Cara A. C.; Juarez, Peter D.; Seebo, Jeffrey P.; Frank, Ashley L.

2015-01-01

Realistic nondestructive evaluation (NDE) simulation tools enable inspection optimization and predictions of inspectability for new aerospace materials and designs. NDE simulation tools may someday aid in the design and certification of advanced aerospace components; potentially shortening the time from material development to implementation by industry and government. Furthermore, modeling and simulation are expected to play a significant future role in validating the capabilities and limitations of guided wave based structural health monitoring (SHM) systems. The current state-of-the-art in ultrasonic NDE/SHM simulation cannot rapidly simulate damage detection techniques for large scale, complex geometry composite components/vehicles with realistic damage types. This paper discusses some of the challenges of model development and validation for composites, such as the level of realism and scale of simulation needed for NASA' applications. Ongoing model development work is described along with examples of model validation studies. The paper will also discuss examples of the use of simulation tools at NASA to develop new damage characterization methods, and associated challenges of validating those methods.

Integrating Multiple Approaches to Solving Solar Wind Turbulence Problems (Invited)

NASA Astrophysics Data System (ADS)

Karimabadi, H.; Roytershteyn, V.

2013-12-01

The ultimate understanding of the solar wind turbulence must explain the physical process and their connection at all scales ranging from the largest down to electron kinetic scales. This is a daunting task and as a result a more piecemeal approach to the problem has been followed. For example, the role of each wave has been explored in isolation and in simulations with scales limited to those of the underlying waves. In this talk, we present several issues with this approach and offer an alternative with an eye towards more realistic simulations of solar wind turbulence. The main simulation techniques used have been MHD, Hall MHD, hybrid, fully kinetic, and gyrokinetic. We examine the limitations of each approach and their viability for studies of solar wind turbulence. Finally, the effect of initial conditions on the resulting turbulence and their comparison with solar wind are demonstrated through several kinetic simulations.

Disks around merging binary black holes: From GW150914 to supermassive black holes

NASA Astrophysics Data System (ADS)

Khan, Abid; Paschalidis, Vasileios; Ruiz, Milton; Shapiro, Stuart L.

2018-02-01

We perform magnetohydrodynamic simulations in full general relativity of disk accretion onto nonspinning black hole binaries with mass ratio q =29 /36 . We survey different disk models which differ in their scale height, total size and magnetic field to quantify the robustness of previous simulations on the initial disk model. Scaling our simulations to LIGO GW150914 we find that such systems could explain possible gravitational wave and electromagnetic counterparts such as the Fermi GBM hard x-ray signal reported 0.4 s after GW150915 ended. Scaling our simulations to supermassive binary black holes, we find that observable flow properties such as accretion rate periodicities, the emergence of jets throughout inspiral, merger and postmerger, disk temperatures, thermal frequencies, and the time delay between merger and the boost in jet outflows that we reported in earlier studies display only modest dependence on the initial disk model we consider here.

Scaling of Loop-Erased Walks in 2 to 4 Dimensions

NASA Astrophysics Data System (ADS)

Grassberger, Peter

2009-07-01

We simulate loop-erased random walks on simple (hyper-)cubic lattices of dimensions 2, 3 and 4. These simulations were mainly motivated to test recent two loop renormalization group predictions for logarithmic corrections in d=4, simulations in lower dimensions were done for completeness and in order to test the algorithm. In d=2, we verify with high precision the prediction D=5/4, where the number of steps n after erasure scales with the number N of steps before erasure as n˜ N D/2. In d=3 we again find a power law, but with an exponent different from the one found in the most precise previous simulations: D=1.6236±0.0004. Finally, we see clear deviations from the naive scaling n˜ N in d=4. While they agree only qualitatively with the leading logarithmic corrections predicted by several authors, their agreement with the two-loop prediction is nearly perfect.

Advanced computational simulations of water waves interacting with wave energy converters

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

2017-03-01

Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

V&V Of CFD Modeling Of The Argonne Bubble Experiment: FY15 Summary Report

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

Hoyt, Nathaniel C.; Wardle, Kent E.; Bailey, James L.

2015-09-30

In support of the development of accelerator-driven production of the fission product Mo 99, computational fluid dynamics (CFD) simulations of an electron-beam irradiated, experimental-scale bubble chamber have been conducted in order to aid in interpretation of existing experimental results, provide additional insights into the physical phenomena, and develop predictive thermal hydraulic capabilities that can be applied to full-scale target solution vessels. Toward that end, a custom hybrid Eulerian-Eulerian-Lagrangian multiphase solver was developed, and simulations have been performed on high-resolution meshes. Good agreement between experiments and simulations has been achieved, especially with respect to the prediction of the maximum temperature ofmore » the uranyl sulfate solution in the experimental vessel. These positive results suggest that the simulation methodology that has been developed will prove to be suitable to assist in the development of full-scale production hardware.« less

Understanding Quantum Tunneling through Quantum Monte Carlo Simulations.

PubMed

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

2016-10-28

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

Impact of Adsorption on Gas Transport in Nanopores.

PubMed

Wu, Tianhao; Zhang, Dongxiao

2016-03-29

Given the complex nature of the interaction between gas and solid atoms, the development of nanoscale science and technology has engendered a need for further understanding of gas transport behavior through nanopores and more tractable models for large-scale simulations. In the present paper, we utilize molecular dynamic simulations to demonstrate the behavior of gas flow under the influence of adsorption in nano-channels consisting of illite and graphene, respectively. The results indicate that velocity oscillation exists along the cross-section of the nano-channel, and the total mass flow could be either enhanced or reduced depending on variations in adsorption under different conditions. The mechanisms can be explained by the extra average perturbation stress arising from density oscillation via the novel perturbation model for micro-scale simulation, and approximated via the novel dual-region model for macro-scale simulation, which leads to a more accurate permeability correction model for industrial applications than is currently available.

Theory and data for simulating fine-scale human movement in an urban environment

PubMed Central

Perkins, T. Alex; Garcia, Andres J.; Paz-Soldán, Valerie A.; Stoddard, Steven T.; Reiner, Robert C.; Vazquez-Prokopec, Gonzalo; Bisanzio, Donal; Morrison, Amy C.; Halsey, Eric S.; Kochel, Tadeusz J.; Smith, David L.; Kitron, Uriel; Scott, Thomas W.; Tatem, Andrew J.

2014-01-01

Individual-based models of infectious disease transmission depend on accurate quantification of fine-scale patterns of human movement. Existing models of movement either pertain to overly coarse scales, simulate some aspects of movement but not others, or were designed specifically for populations in developed countries. Here, we propose a generalizable framework for simulating the locations that an individual visits, time allocation across those locations, and population-level variation therein. As a case study, we fit alternative models for each of five aspects of movement (number, distance from home and types of locations visited; frequency and duration of visits) to interview data from 157 residents of the city of Iquitos, Peru. Comparison of alternative models showed that location type and distance from home were significant determinants of the locations that individuals visited and how much time they spent there. We also found that for most locations, residents of two neighbourhoods displayed indistinguishable preferences for visiting locations at various distances, despite differing distributions of locations around those neighbourhoods. Finally, simulated patterns of time allocation matched the interview data in a number of ways, suggesting that our framework constitutes a sound basis for simulating fine-scale movement and for investigating factors that influence it. PMID:25142528

Modeling a Million-Node Slim Fly Network Using Parallel Discrete-Event Simulation

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

Wolfe, Noah; Carothers, Christopher; Mubarak, Misbah

As supercomputers close in on exascale performance, the increased number of processors and processing power translates to an increased demand on the underlying network interconnect. The Slim Fly network topology, a new lowdiameter and low-latency interconnection network, is gaining interest as one possible solution for next-generation supercomputing interconnect systems. In this paper, we present a high-fidelity Slim Fly it-level model leveraging the Rensselaer Optimistic Simulation System (ROSS) and Co-Design of Exascale Storage (CODES) frameworks. We validate our Slim Fly model with the Kathareios et al. Slim Fly model results provided at moderately sized network scales. We further scale the modelmore » size up to n unprecedented 1 million compute nodes; and through visualization of network simulation metrics such as link bandwidth, packet latency, and port occupancy, we get an insight into the network behavior at the million-node scale. We also show linear strong scaling of the Slim Fly model on an Intel cluster achieving a peak event rate of 36 million events per second using 128 MPI tasks to process 7 billion events. Detailed analysis of the underlying discrete-event simulation performance shows that a million-node Slim Fly model simulation can execute in 198 seconds on the Intel cluster.« less

Interface-Resolving Simulation of Collision Efficiency of Cloud Droplets

NASA Astrophysics Data System (ADS)

Wang, Lian-Ping; Peng, Cheng; Rosa, Bodgan; Onishi, Ryo

2017-11-01

Small-scale air turbulence could enhance the geometric collision rate of cloud droplets while large-scale air turbulence could augment the diffusional growth of cloud droplets. Air turbulence could also enhance the collision efficiency of cloud droplets. Accurate simulation of collision efficiency, however, requires capture of the multi-scale droplet-turbulence and droplet-droplet interactions, which has only been partially achieved in the recent past using the hybrid direct numerical simulation (HDNS) approach. % where Stokes disturbance flow is assumed. The HDNS approach has two major drawbacks: (1) the short-range droplet-droplet interaction is not treated rigorously; (2) the finite-Reynolds number correction to the collision efficiency is not included. In this talk, using two independent numerical methods, we will develop an interface-resolved simulation approach in which the disturbance flows are directly resolved numerically, combined with a rigorous lubrication correction model for near-field droplet-droplet interaction. This multi-scale approach is first used to study the effect of finite flow Reynolds numbers on the droplet collision efficiency in still air. Our simulation results show a significant finite-Re effect on collision efficiency when the droplets are of similar sizes. Preliminary results on integrating this approach in a turbulent flow laden with droplets will also be presented. This work is partially supported by the National Science Foundation.

Accelerating large-scale simulation of seismic wave propagation by multi-GPUs and three-dimensional domain decomposition

NASA Astrophysics Data System (ADS)

Okamoto, Taro; Takenaka, Hiroshi; Nakamura, Takeshi; Aoki, Takayuki

2010-12-01

We adopted the GPU (graphics processing unit) to accelerate the large-scale finite-difference simulation of seismic wave propagation. The simulation can benefit from the high-memory bandwidth of GPU because it is a "memory intensive" problem. In a single-GPU case we achieved a performance of about 56 GFlops, which was about 45-fold faster than that achieved by a single core of the host central processing unit (CPU). We confirmed that the optimized use of fast shared memory and registers were essential for performance. In the multi-GPU case with three-dimensional domain decomposition, the non-contiguous memory alignment in the ghost zones was found to impose quite long time in data transfer between GPU and the host node. This problem was solved by using contiguous memory buffers for ghost zones. We achieved a performance of about 2.2 TFlops by using 120 GPUs and 330 GB of total memory: nearly (or more than) 2200 cores of host CPUs would be required to achieve the same performance. The weak scaling was nearly proportional to the number of GPUs. We therefore conclude that GPU computing for large-scale simulation of seismic wave propagation is a promising approach as a faster simulation is possible with reduced computational resources compared to CPUs.

Properties of Decaying Plasma Turbulence at Subproton Scales

NASA Astrophysics Data System (ADS)

Olshevsky, Vyacheslav; Servidio, Sergio; Pucci, Francesco; Primavera, Leonardo; Lapenta, Giovanni

2018-06-01

We study the properties of plasma turbulence at subproton scales using kinetic electromagnetic three-dimensional simulations with nonidentical initial conditions. Particle-in-cell modeling of the Taylor–Green vortex has been performed, starting from three different magnetic field configurations. All simulations expose very similar energy evolution in which the large-scale ion flows and magnetic structures deteriorate and transfer their energy into particle heating. Heating is more intense for electrons, decreasing the initial temperature ratio and leading to temperature equipartition between the two species. A full turbulent cascade, with a well-defined power-law shape at subproton scales, is established within a characteristic turnover time. Spectral indices for magnetic field fluctuations in two simulations are close to α B ≈ 2.9, and are steeper in the remaining case with α B ≈ 3.05. Energy is dissipated by a complex mixture of plasma instabilities and magnetic reconnection and is milder in the latter simulation. The number of magnetic nulls, and the dissipation pattern observed in this case, differ from two others. Spectral indices for the kinetic energy deviate from magnetic spectra by ≈1 in the first simulation, and by ≈0.75 in two other runs. The difference between magnetic and electric slopes confirm the previously observed value of α B ‑ α E ≈ 2.

Assessing Performance in Shoulder Arthroscopy: The Imperial Global Arthroscopy Rating Scale (IGARS).

PubMed

Bayona, Sofia; Akhtar, Kash; Gupte, Chinmay; Emery, Roger J H; Dodds, Alexander L; Bello, Fernando

2014-07-02

Surgical training is undergoing major changes with reduced resident work hours and an increasing focus on patient safety and surgical aptitude. The aim of this study was to create a valid, reliable method for an assessment of arthroscopic skills that is independent of time and place and is designed for both real and simulated settings. The validity of the scale was tested using a virtual reality shoulder arthroscopy simulator. The study consisted of two parts. In the first part, an Imperial Global Arthroscopy Rating Scale for assessing technical performance was developed using a Delphi method. Application of this scale required installing a dual-camera system to synchronously record the simulator screen and body movements of trainees to allow an assessment that is independent of time and place. The scale includes aspects such as efficient portal positioning, angles of instrument insertion, proficiency in handling the arthroscope and adequately manipulating the camera, and triangulation skills. In the second part of the study, a validation study was conducted. Two experienced arthroscopic surgeons, blinded to the identities and experience of the participants, each assessed forty-nine subjects performing three different tests using the Imperial Global Arthroscopy Rating Scale. Results were analyzed using two-way analysis of variance with measures of absolute agreement. The intraclass correlation coefficient was calculated for each test to assess inter-rater reliability. The scale demonstrated high internal consistency (Cronbach alpha, 0.918). The intraclass correlation coefficient demonstrated high agreement between the assessors: 0.91 (p < 0.001). Construct validity was evaluated using Kruskal-Wallis one-way analysis of variance (chi-square test, 29.826; p < 0.001), demonstrating that the Imperial Global Arthroscopy Rating Scale distinguishes significantly between subjects with different levels of experience utilizing a virtual reality simulator. The Imperial Global Arthroscopy Rating Scale has a high internal consistency and excellent inter-rater reliability and offers an approach for assessing technical performance in basic arthroscopy on a virtual reality simulator. The Imperial Global Arthroscopy Rating Scale provides detailed information on surgical skills. Although it requires further validation in the operating room, this scale, which is independent of time and place, offers a robust and reliable method for assessing arthroscopic technical skills. Copyright © 2014 by The Journal of Bone and Joint Surgery, Incorporated.

Pore-scale and continuum simulations of solute transport micromodel benchmark experiments

DOE PAGES

Oostrom, M.; Mehmani, Y.; Romero-Gomez, P.; ...

2014-06-18

Four sets of nonreactive solute transport experiments were conducted with micromodels. Three experiments with one variable, i.e., flow velocity, grain diameter, pore-aspect ratio, and flow-focusing heterogeneity were in each set. The data sets were offered to pore-scale modeling groups to test their numerical simulators. Each set consisted of two learning experiments, for which our results were made available, and one challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the transverse dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing,more » and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice Boltzmann (LB) approach, and one used a computational fluid dynamics (CFD) technique. Furthermore, we used the learning experiments, by the PN models, to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used the learning experiments to appropriately discretize the spatial grid representations. For the continuum modeling, the required dispersivity input values were estimated based on published nonlinear relations between transverse dispersion coefficients and Peclet number. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values, resulting in reduced dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models, which account for the micromodel geometry and underlying flow and transport physics, needed up to several days on supercomputers to resolve the more complex problems.« less

A methodology towards virtualisation-based high performance simulation platform supporting multidisciplinary design of complex products

NASA Astrophysics Data System (ADS)

Ren, Lei; Zhang, Lin; Tao, Fei; (Luke) Zhang, Xiaolong; Luo, Yongliang; Zhang, Yabin

2012-08-01

Multidisciplinary design of complex products leads to an increasing demand for high performance simulation (HPS) platforms. One great challenge is how to achieve high efficient utilisation of large-scale simulation resources in distributed and heterogeneous environments. This article reports a virtualisation-based methodology to realise a HPS platform. This research is driven by the issues concerning large-scale simulation resources deployment and complex simulation environment construction, efficient and transparent utilisation of fine-grained simulation resources and high reliable simulation with fault tolerance. A framework of virtualisation-based simulation platform (VSIM) is first proposed. Then the article investigates and discusses key approaches in VSIM, including simulation resources modelling, a method to automatically deploying simulation resources for dynamic construction of system environment, and a live migration mechanism in case of faults in run-time simulation. Furthermore, the proposed methodology is applied to a multidisciplinary design system for aircraft virtual prototyping and some experiments are conducted. The experimental results show that the proposed methodology can (1) significantly improve the utilisation of fine-grained simulation resources, (2) result in a great reduction in deployment time and an increased flexibility for simulation environment construction and (3)achieve fault tolerant simulation.

Helium segregation on surfaces of plasma-exposed tungsten

DOE PAGES

Maroudas, Dimitrios; Blondel, Sophie; Hu, Lin; ...

2016-01-21

Here we report a hierarchical multi-scale modeling study of implanted helium segregation on surfaces of tungsten, considered as a plasma facing component in nuclear fusion reactors. We employ a hierarchy of atomic-scale simulations based on a reliable interatomic interaction potential, including molecular-statics simulations to understand the origin of helium surface segregation, targeted molecular-dynamics (MD) simulations of near-surface cluster reactions, and large-scale MD simulations of implanted helium evolution in plasma-exposed tungsten. We find that small, mobile He-n (1 <= n <= 7) clusters in the near-surface region are attracted to the surface due to an elastic interaction force that provides themore » thermodynamic driving force for surface segregation. Elastic interaction force induces drift fluxes of these mobile Hen clusters, which increase substantially as the migrating clusters approach the surface, facilitating helium segregation on the surface. Moreover, the clusters' drift toward the surface enables cluster reactions, most importantly trap mutation, in the near-surface region at rates much higher than in the bulk material. Moreover, these near-surface cluster dynamics have significant effects on the surface morphology, near-surface defect structures, and the amount of helium retained in the material upon plasma exposure. We integrate the findings of such atomic-scale simulations into a properly parameterized and validated spatially dependent, continuum-scale reaction-diffusion cluster dynamics model, capable of predicting implanted helium evolution, surface segregation, and its near-surface effects in tungsten. This cluster-dynamics model sets the stage for development of fully atomistically informed coarse-grained models for computationally efficient simulation predictions of helium surface segregation, as well as helium retention and surface morphological evolution, toward optimal design of plasma facing components.« less

Development and validation of the simulation-based learning evaluation scale.

PubMed

Hung, Chang-Chiao; Liu, Hsiu-Chen; Lin, Chun-Chih; Lee, Bih-O

2016-05-01

The instruments that evaluate a student's perception of receiving simulated training are English versions and have not been tested for reliability or validity. The aim of this study was to develop and validate a Chinese version Simulation-Based Learning Evaluation Scale (SBLES). Four stages were conducted to develop and validate the SBLES. First, specific desired competencies were identified according to the National League for Nursing and Taiwan Nursing Accreditation Council core competencies. Next, the initial item pool was comprised of 50 items related to simulation that were drawn from the literature of core competencies. Content validity was established by use of an expert panel. Finally, exploratory factor analysis and confirmatory factor analysis were conducted for construct validity, and Cronbach's coefficient alpha determined the scale's internal consistency reliability. Two hundred and fifty students who had experienced simulation-based learning were invited to participate in this study. Two hundred and twenty-five students completed and returned questionnaires (response rate=90%). Six items were deleted from the initial item pool and one was added after an expert panel review. Exploratory factor analysis with varimax rotation revealed 37 items remaining in five factors which accounted for 67% of the variance. The construct validity of SBLES was substantiated in a confirmatory factor analysis that revealed a good fit of the hypothesized factor structure. The findings tally with the criterion of convergent and discriminant validity. The range of internal consistency for five subscales was .90 to .93. Items were rated on a 5-point scale from 1 (strongly disagree) to 5 (strongly agree). The results of this study indicate that the SBLES is valid and reliable. The authors recommend that the scale could be applied in the nursing school to evaluate the effectiveness of simulation-based learning curricula. Copyright © 2016 Elsevier Ltd. All rights reserved.