Transcriptome analysis of the responses of Staphylococcus aureus to antimicrobial peptides and characterization of the roles of vraDE and vraSR in antimicrobial resistance

PubMed Central

Pietiäinen, Milla; François, Patrice; Hyyryläinen, Hanne-Leena; Tangomo, Manuela; Sass, Vera; Sahl, Hans-Georg; Schrenzel, Jacques; Kontinen, Vesa P

2009-01-01

Background Understanding how pathogens respond to antimicrobial peptides, and how this compares to currently available antibiotics, is crucial for optimizing antimicrobial therapy. Staphylococcus aureus has several known resistance mechanisms against human cationic antimicrobial peptides (CAMPs). Gene expression changes in S. aureus strain Newman exposed to linear CAMPs were analyzed by DNA microarray. Three antimicrobial peptides were used in the analysis, two are derived from frog, temporin L and dermaseptin K4-S4(1-16), and the ovispirin-1 is obtained from sheep. Results The peptides induced the VraSR cell-wall regulon and several other genes that are also up-regulated in cells treated with vancomycin and other cell wall-active antibiotics. In addition to this similarity, three genes/operons were particularly strongly induced by the peptides: vraDE, SA0205 and SAS016, encoding an ABC transporter, a putative membrane-bound lysostaphin-like peptidase and a small functionally unknown protein, respectively. Ovispirin-1 and dermaseptin K4-S4(1-16), which disrupt lipid bilayers by the carpet mechanism, appeared to be strong inducers of the vraDE operon. We show that high level induction by ovispirin-1 is dependent on the amide modification of the peptide C-terminus. This suggests that the amide group has a crucial role in the activation of the Aps (GraRS) sensory system, the regulator of vraDE. In contrast, temporin L, which disrupts lipid bilayers by forming pores, revealed a weaker inducer of vraDE despite the C-terminal amide modification. Sensitivity testing with CAMPs and other antimicrobials suggested that VraDE is a transporter dedicated to resist bacitracin. We also showed that SA0205 belongs to the VraSR regulon. Furthermore, VraSR was shown to be important for resistance against a wide range of cell wall-active antibiotics and other antimicrobial agents including the amide-modified ovispirin-1, bacitracin, teicoplanin, cefotaxime and 10 other β-lactam antibiotics, chlorpromazine, thioridazine and EGTA. Conclusion Defense against different CAMPs involves not only general signaling pathways but also CAMP-specific ones. These results suggest that CAMPs or a mixture of CAMPs could constitute a potential additive to standard antibiotic treatment. PMID:19751498

Teicoplanin resistance in Staphylococcus haemolyticus is associated with mutations in histidine kinases VraS and WalK.

PubMed

Vimberg, Vladimir; Cavanagh, Jorunn Pauline; Benada, Oldřich; Kofroňová, Olga; Hjerde, Erik; Zieglerová, Leona; Balíková Novotná, Gabriela

2018-03-01

We investigated the genetic basis of glycopeptide resistance in laboratory-derived strains of S. haemolyticus with emphasis on differences between vancomycin and teicoplanin. The genomes of two stable teicoplanin-resistant laboratory mutants selected on vancomycin or teicoplanin were sequenced and compared to parental S. haemolyticus strain W2/124. Only the two non-synonymous mutations, VraS Q289K and WalK V550L were identified. No other mutations or genome rearrangements were detected. Increased cell wall thickness, resistance to lysostaphin-induced lysis and adaptation of cell growth rates specifically to teicoplanin were phenotypes observed in a sequenced strain with the VraS Q289K mutation. Neither of the VraS Q289K and WalK V550L mutations was present in the genomes of 121S. haemolyticus clinical isolates. However, all but two of the teicoplanin resistant strains carried non-synonymous SNPs in vraSRTU and walKR-YycHIJ operons pointing to their importance for the glycopeptide resistance. Copyright © 2017 Elsevier Inc. All rights reserved.

Denoising of Raman spectroscopy for biological samples based on empirical mode decomposition

NASA Astrophysics Data System (ADS)

León-Bejarano, Fabiola; Ramírez-Elías, Miguel; Mendez, Martin O.; Dorantes-Méndez, Guadalupe; Rodríguez-Aranda, Ma. Del Carmen; Alba, Alfonso

Raman spectroscopy of biological samples presents undesirable noise and fluorescence generated by the biomolecular excitation. The reduction of these types of noise is a fundamental task to obtain the valuable information of the sample under analysis. This paper proposes the application of the empirical mode decomposition (EMD) for noise elimination. EMD is a parameter-free and adaptive signal processing method useful for the analysis of nonstationary signals. EMD performance was compared with the commonly used Vancouver algorithm (VRA) through artificial data (Teflon), synthetic (Vitamin E and paracetamol) and biological (Mouse brain and human nails) Raman spectra. The correlation coefficient (ρ) was used as performance measure. Results on synthetic data showed a better performance of EMD (ρ=0.52) at high noise levels compared with VRA (ρ=0.19). The methods with simulated fluorescence added to artificial material exhibited a similar shape of fluorescence in both cases (ρ=0.95 for VRA and ρ=0.93 for EMD). For synthetic data, Raman spectra of vitamin E were used and the results showed a good performance comparing both methods (ρ=0.95 for EMD and ρ=0.99 for VRA). Finally, in biological data, EMD and VRA displayed a similar behavior (ρ=0.85 for EMD and ρ=0.96 for VRA), but with the advantage that EMD maintains small amplitude Raman peaks. The results suggest that EMD could be an effective method for denoising biological Raman spectra, EMD is able to retain information and correctly eliminates the fluorescence without parameter tuning.

Esophageal dysfunction in four alpaca crias and a llama cria with vascular ring anomalies.

PubMed

McKenzie, Erica C; Seguin, Bernard; Cebra, Christopher K; Margiocco, Marco L; Anderson, David E; Löhr, Christiane V

2010-08-01

3 alpaca crias and cadavers of an alpaca cria and a llama cria were evaluated for evidence of esophageal dysfunction. All 5 crias were between 3 and 5 months of age when clinical signs developed, and all had a thin body condition when examined. Clinical signs included coughing, regurgitation, and grossly visible esophageal peristaltic waves. A barium esophagram was used to diagnose esophageal obstruction, megaesophagus, and a vascular ring anomaly (VRA). Fluoroscopy was used to evaluate deglutition, esophageal peristalsis, and the extent of esophageal dilation in 1 alpaca cria. A persistent right aortic arch was identified in 1 alpaca cria, and a left aortic arch with right ductus arteriosus or ligamentum arteriosum and an aberrant right subclavian artery were identified in the 4 remaining crias. Surgical correction of the VRA was attempted in the 3 live alpaca crias. It was complicated by the conformation and location of each VRA and inaccurate anatomic diagnosis of the VRAs before surgery. Treatment was universally unsuccessful because of intraoperative complications and the persistence of clinical signs after surgery. Megaesophagus is typically an idiopathic condition in camelids. However, these findings suggested that camelids with esophageal dysfunction during the neonatal period may have a VRA. The prognosis is grave for camelids with VRA, and accurate anatomic diagnosis of the VRA via the use of advanced imaging techniques (eg, angiography, computed tomography, or magnetic resonance imaging) may improve the success of surgical intervention.

Genetic Pathway in Acquisition and Loss of Vancomycin Resistance in a Methicillin Resistant Staphylococcus aureus (MRSA) Strain of Clonal Type USA300

PubMed Central

Gardete, Susana; Kim, Choonkeun; Hartmann, Boris M.; Mwangi, Michael; Roux, Christelle M.; Dunman, Paul M.; Chambers, Henry F.; Tomasz, Alexander

2012-01-01

An isolate of the methicillin-resistant Staphylococcus aureus (MRSA) clone USA300 with reduced susceptibility to vancomycin (SG-R) (i.e, vancomycin-intermediate S. aureus, VISA) and its susceptible “parental” strain (SG-S) were recovered from a patient at the end and at the beginning of an unsuccessful vancomycin therapy. The VISA phenotype was unstable in vitro generating a susceptible revertant strain (SG-rev). The availability of these 3 isogenic strains allowed us to explore genetic correlates of antibiotic resistance as it emerged in vivo. Compared to the susceptible isolate, both the VISA and revertant strains carried the same point mutations in yycH, vraG, yvqF and lspA genes and a substantial deletion within an intergenic region. The revertant strain carried a single additional frameshift mutation in vraS which is part of two component regulatory system VraSR. VISA isolate SG-R showed complex alterations in phenotype: decreased susceptibility to other antibiotics, slow autolysis, abnormal cell division and increased thickness of cell wall. There was also altered expression of 239 genes including down-regulation of major virulence determinants. All phenotypic properties and gene expression profile returned to parental levels in the revertant strain. Introduction of wild type yvqF on a multicopy plasmid into the VISA strain caused loss of resistance along with loss of all the associated phenotypic changes. Introduction of the wild type vraSR into the revertant strain caused recovery of VISA type resistance. The yvqF/vraSR operon seems to function as an on/off switch: mutation in yvqF in strain SG-R turns on the vraSR system, which leads to increase in vancomycin resistance and down-regulation of virulence determinants. Mutation in vraS in the revertant strain turns off this regulatory system accompanied by loss of resistance and normal expression of virulence genes. Down-regulation of virulence genes may provide VISA strains with a “stealth” strategy to evade detection by the host immune system. PMID:22319446

7 CFR 1730.27 - Vulnerability and Risk Assessment (VRA).

Code of Federal Regulations, 2010 CFR

2010-01-01

... SERVICE, DEPARTMENT OF AGRICULTURE ELECTRIC SYSTEM OPERATIONS AND MAINTENANCE Operations and Maintenance... program loan as of October 12, 2004 shall perform an initial VRA of its electric system no later than July... its electric system in accordance with § 1730.27(a). (c) Each applicant that submits an application...

Teaching Equivalent Fractions to Secondary Students with Disabilities via the Virtual-Representational-Abstract Instructional Sequence

ERIC Educational Resources Information Center

Bouck, Emily C.; Bassette, Laura; Shurr, Jordan; Park, Jiyoon; Kerr, Jackie; Whorley, Abbie

2017-01-01

Fractions are an important mathematical concept; however, fractions are also a struggle for many students with disabilities. This study explored a new framework adapted from the evidence-based concrete-representational-abstract framework: the virtual-representational-abstract (VRA) framework. The VRA framework involves teaching students to solve…

The lantibiotic mersacidin is a strong inducer of the cell wall stress response of Staphylococcus aureus

PubMed Central

Sass, Peter; Jansen, Andrea; Szekat, Christiane; Sass, Vera; Sahl, Hans-Georg; Bierbaum, Gabriele

2008-01-01

Background The lantibiotic mersacidin is an antimicrobial peptide of 20 amino acids that is ribosomally produced by Bacillus sp. strain HIL Y-85,54728. Mersacidin acts by complexing the sugar phosphate head group of the peptidoglycan precursor lipid II, thereby inhibiting the transglycosylation reaction of peptidoglycan biosynthesis. Results Here, we studied the growth of Staphylococcus aureus in the presence of subinhibitory concentrations of mersacidin. Transcriptional data revealed an extensive induction of the cell wall stress response, which is partly controlled by the two-component regulatory system VraSR. In contrast to other cell wall-active antibiotics such as vancomycin, very low concentrations of mersacidin (0.15 × MIC) were sufficient for induction. Interestingly, the cell wall stress response was equally induced in vancomycin intermediately resistant S. aureus (VISA) and in a highly susceptible strain. Since the transcription of the VraDE ABC transporter genes was induced up to 1700-fold in our experiments, we analyzed the role of VraDE in the response to mersacidin. However, the deletion of the vraE gene did not result in an increased susceptibility to mersacidin compared to the wild type strain. Moreover, the efficacy of mersacidin was not affected by an increased cell wall thickness, which is part of the VISA-type resistance mechanism and functions by trapping the vancomycin molecules in the cell wall before they reach lipid II. Therefore, the relatively higher concentration of mersacidin at the membrane might explain why mersacidin is such a strong inducer of VraSR compared to vancomycin. Conclusion In conclusion, mersacidin appears to be a strong inducer of the cell wall stress response of S. aureus at very low concentrations, which reflects its general mode of action as a cell wall-active peptide as well as its use of a unique target site on lipid II. Additionally, mersacidin does not seem to be a substrate for the resistance transporter VraDE. PMID:18947397

Contribution of Selected Gene Mutations to Resistance in Clinical Isolates of Vancomycin-Intermediate Staphylococcus aureus

PubMed Central

Hafer, Cory; Lin, Ying; Kornblum, John; Lowy, Franklin D.

2012-01-01

Infections with vancomycin-intermediate Staphylococcus aureus (VISA) have been associated with vancomycin treatment failures and poor clinical outcomes. Routine identification of clinical isolates with increased vancomycin MICs remains challenging, and no molecular marker exists to aid in diagnosis of VISA strains. We tested vancomycin susceptibilities by using microscan, Etest, and population analyses in a collection of putative VISA, methicillin-resistant S. aureus, and methicillin-sensitive S. aureus (VSSA) infectious isolates from community- or hospital-associated S. aureus infections (n = 77) and identified 22 VISA and 9 heterogeneous VISA (hVISA) isolates. Sequencing of VISA candidate loci vraS, vraR, yvqF, graR, graS, walR, walK, and rpoB revealed a high diversity of nonsynonymous single-nucleotide polymorphisms (SNPs). For vraS, vraR, yvqF, walK, and rpoB, SNPs were more frequently present in VISA and hVISA than in VSSA isolates, whereas mutations in graR, graS, and walR were exclusively detected in VISA isolates. For each of the individual loci, SNPs were only detected in about half of the VISA isolates. All but one VISA isolate had at least one SNP in any of the genes sequenced, and isolates with an MIC of 6 or 8 μg/ml harbored at least 2 SNPs. Overall, increasing vancomycin MICs were paralleled by a higher proportion of isolates with SNPs. Depending on the clonal background, SNPs appeared to preferentially accumulate in vraS and vraR for sequence type 8 (ST8) and in walK and walR for ST5 isolates. Taken together, by comparing VISA, hVISA, and VSSA controls, we observed preferential clustering of SNPs in VISA candidate genes, with an unexpectedly high diversity across these loci. Our results support a polygenetic etiology of VISA. PMID:22948864

Intermediate-type vancomycin resistance (VISA) in genetically-distinct Staphylococcus aureus isolates is linked to specific, reversible metabolic alterations.

PubMed

Alexander, Elizabeth L; Gardete, Susana; Bar, Haim Y; Wells, Martin T; Tomasz, Alexander; Rhee, Kyu Y

2014-01-01

Intermediate (VISA-type) vancomycin resistance in Staphylococcus aureus has been associated with a range of physiologic and genetic alterations. Previous work described the emergence of VISA-type resistance in two clonally-distinct series of isolates. In both series (the first belonging to MRSA clone ST8-USA300, and the second to ST5-USA100), resistance was conferred by a single mutation in yvqF (a negative regulator of the vraSR two-component system associated with vancomycin resistance). In the USA300 series, resistance was reversed by a secondary mutation in vraSR. In this study, we combined systems-level metabolomic profiling with statistical modeling techniques to discover specific, reversible metabolic alterations associated with the VISA phenotype.

"The Goddamndest, Toughest Voting Rights Bill": Critical Race Theory and the Voting Rights Act of 1965

ERIC Educational Resources Information Center

Crowley, Ryan M.

2013-01-01

The author utilized Critical Race Theory (CRT) to examine the passage of the US Voting Rights Act (VRA) of 1965 in an effort to disrupt the simplistic, uncritical understandings of the US Civil Rights Movement common to school texts while also arguing for the ongoing importance of the VRA in a time when voting rights for people of color are under…

VARIABLE RATE APPLICATION OF SOIL HERBICIDES IN ARABLE CROPS: FROM THEORY TO PRACTICE.

PubMed

Heijting, S; Kempenaar, C

2014-01-01

Soil herbicides are applied around crop emergence and kill germinating weeds in the surface layer of the soil. These herbicides play an important role in the chemical management of weeds in major arable crops. From an environmental point of view there is a clear need for smarter application of these chemicals. This paper presents research done in The Netherlands on Variable Rate Application (VRA) of soil herbicides by taking into account spatial variation of the soil. Herbicides adsorbed to soil parameters such as clay or organic matter are not available for herbicidal activity. Decision Support Rules (DSR) describe the relation between the soil parameter and herbicide dosage needed for effectively controlling weeds. Research methods such as greenhouse trials, models and on farm research to develop DSR are discussed and results are presented. Another important ingredient for VRA of soil herbicides is an accurate soil map of the field. Sampling and subsequent interpolation is costly. Soil scans measuring a proxy that is subsequently translated into soil properties such as clay fraction and soil organic matter content offer a quicker way to achieve such maps but validation is needed. DSR is applied to the soil map to get the variable dosage map. The farmer combines this map with the routing, spray volume and spray boom width in the Farm Management Information System (FMIS), resulting in a task file. This task file can subsequently be read by the board computer resulting in a VRA spray map. Reduction in soil herbicide depends on the DSR, the spatial variation and pattern of the soil, the spatial configuration of the routing and the technical advances of the spray equipment. Recently, within the framework the Programma Precisie Landbouw, first steps were made to test and implement this in practice. Currently, theory and practice of VRA of soil herbicides is developed within the research program IJKakker in close cooperation with pioneering farmers in The Netherlands.

VRA Modeling, phase 1

NASA Technical Reports Server (NTRS)

Kindt, Louis M.; Mullins, Michael E.; Hand, David W.; Kline, Andrew A.

1995-01-01

The destruction of organic contaminants in waste water for closed systems, such as that of Space Station, is crucial due to the need for recycling the waste water. A co-current upflow bubble column using oxygen as the gas phase oxidant and packed with catalyst particles consisting of a noble metal on an alumina substrate is being developed for this process. The objective of this study is to develop a plug-flow model that will predict the performance of this three phase reactor system in destroying a multicomponent mixture of organic contaminants in water. Mass balances on a series of contaminants and oxygen in both the liquid and gas phases are used to develop this model. These mass balances incorporate the gas-to-liquid and liquid-to-particle mass transfer coefficients, the catalyst effectiveness factor, and intrinsic reaction rate. To validate this model, a bench scale reactor has been tested at Michigan Technological University at elevated pressures (50-83 psig,) and a temperature range of 200 to 290 F. Feeds consisting of five dilute solutions of ethanol (approx. 10 ppm), chlorobenzene (approx. 20 ppb), formaldehyde (approx. 100 ppb), dimethyl sulfoxide (DMSO approx. 300 ppb), and urea (approx. 20 ppm) in water were tested individually with an oxygen mass flow rate of 0.009 lb/h. The results from these individual tests were used to develop the kinetic parameter inputs necessary for the computer model. The computer simulated results are compared to the experimental data obtained for all 5 components run in a mixture on the differential test column for a range of reactor contact times.

Hot Spot Initiation Patterns in Shocked Explosives and Propellants Recorded by Thermal Film.

DTIC Science & Technology

1980-12-02

8 PropellantsVRA-23andALTU-16 . . . . . ........ .. 9 PBXN - 106 Simulant . . . . . .. . . . . . . . . . . . . . 9 CONCLUSIONS...Enlargement (120X) Showing Crater Pattern With Charred Rim Produced By Fracture of Glass Beads in PBXN - 106 Simulant . . . . . 21 12 Model of Crater...explosives and high energy propellants as well as with an explo- sive ( PBXN - 106 ) simulant. The results of these tests are reported below. PRESSED TNT. Figure

Measurement of reach envelopes with a four-camera Selective Spot Recognition (SELSPOT) system

NASA Technical Reports Server (NTRS)

Stramler, J. H., Jr.; Woolford, B. J.

1983-01-01

The basic Selective Spot Recognition (SELSPOT) system is essentially a system which uses infrared LEDs and a 'camera' with an infrared-sensitive photodetector, a focusing lens, and some A/D electronics to produce a digital output representing an X and Y coordinate for each LED for each camera. When the data are synthesized across all cameras with appropriate calibrations, an XYZ set of coordinates is obtained for each LED at a given point in time. Attention is given to the operating modes, a system checkout, and reach envelopes and software. The Video Recording Adapter (VRA) represents the main addition to the basic SELSPOT system. The VRA contains a microprocessor and other electronics which permit user selection of several options and some interaction with the system.

76 FR 63601 - Sunshine Act Notice

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-13

... School Discipline briefing report Approval of Scope of Discovery Plan for VRA Report V. Management and... of a sign language interpreter should contact Pamela Dunston at (202) 376-8105 or at signlanguage...

Mutation of RNA polymerase beta subunit (rpoB) promotes hVISA-to-VISA phenotypic conversion of strain Mu3.

PubMed

Matsuo, Miki; Hishinuma, Tomomi; Katayama, Yuki; Cui, Longzhu; Kapi, Maria; Hiramatsu, Keiichi

2011-09-01

The clinical vancomycin-intermediate Staphylococcus aureus (VISA) strain Mu50 carries two mutations in the vraSR and graRS two-component regulatory systems (TCRSs), namely, vraS(I5N) and graR(N197S) (hereinafter designated graR). The clinical heterogeneously vancomycin-intermediate S. aureus (hVISA) strain Mu3 shares with Mu50 the mutation in vraS that encodes the VraS two-component histidine kinase. Previously, we showed that introduction of the plasmid pgraR, carrying the mutated two-component response regulator graR, converted the hVISA strain Mu3 into VISA (vancomycin MIC = 4 mg/liter). Subsequently, however, we found that the introduction of a single copy of graR into the Mu3 chromosome by a gene replacement method did not confer on Mu3 the VISA phenotype. The gene-replaced strain Mu3graR thus obtained remained hVISA (MIC ≤ 2 mg/liter), although a small increase in vancomycin MIC was observed compared to that of the parent strain Mu3. Reevaluation of the Mu3 and Mu50 genomes revealed the presence of another mutation responsible for the expression of the VISA phenotype in Mu50. Here, we demonstrate that in addition to the two regulator mutations, a third mutation found in the Mu50 rpoB gene, encoding the RNA polymerase β subunit, was required for Mu3 to achieve the level of vancomycin resistance of Mu50. The selection of strain Mu3graR with rifampin gave rise to rpoB mutants with various levels of increased vancomycin resistance. Furthermore, 3 (33%) of 10 independently isolated VISA strains established from the heterogeneous subpopulations of Mu3graR were found to possess rpoB mutations with or without an accompanying rifampin-resistance phenotype. The data indicate that a sizable proportion of the resistant hVISA cell subpopulations is composed of spontaneous rpoB mutants with various degrees of increased vancomycin resistance.

78 FR 78329 - Information Collection Activity; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-26

... America is adequately protected, electric borrowers conduct a Vulnerability and Risk Assessment (VRA) of... vulnerabilities, if present, to review existing mitigation procedures and to assist in the development of new and...

[Amendment of the structural quality for inpatient rheumatology. A forward-looking concept].

PubMed

Lakomek, H-J; Braun, J; Gromnica-Ihle, E; Fiehn, C; Claus, S; Specker, C; Jung, J; Krause, A; Lorenz, H-M; Robbers, J

2011-09-01

In 2010 a total of 9 guidelines on structural quality were endorsed by the Association of Rheumatology Clinics in Germany (VRA). These 9 structural criteria replace the regulations published in 2002 and were elaborated with the support of the German Rheumatology League. With guideline number 9 even the structural requirements for university hospitals are defined for the first time.Along with taking part in the quality project "Kobra" (continuous outcome benchmarking in rheumatology inpatient treatment) compliance with the new structural criteria constitutes a prerequisite for acquiring a quality certificate, which is awarded by an external institution.By this means the VRA sets the stage for its members to be prepared for future challenges and quality competition among hospitals. Furthermore, the provision of a high quality treatment for chronically diseased patients in rheumatology clinics will be effectively supported.

Rotating wall vessel exposure alters protein secretion and global gene expression in Staphylococcus aureus

NASA Astrophysics Data System (ADS)

Rosado, Helena; O'Neill, Alex J.; Blake, Katy L.; Walther, Meik; Long, Paul F.; Hinds, Jason; Taylor, Peter W.

2012-04-01

Staphylococcus aureus is routinely recovered from air and surface samples taken aboard the International Space Station (ISS) and poses a health threat to crew. As bacteria respond to the low shear forces engendered by continuous rotation conditions in a Rotating Wall Vessel (RWV) and the reduced gravitational field of near-Earth flight by altering gene expression, we examined the effect of low-shear RWV growth on protein secretion and gene expression by three S. aureus isolates. When cultured under 1 g, the total amount of protein secreted by these strains varied up to fourfold; under continuous rotation conditions, protein secretion by all three strains was significantly reduced. Concentrations of individual proteins were differentially reduced and no evidence was found for increased lysis. These data suggest that growth under continuous rotation conditions reduces synthesis or secretion of proteins. A limited number of changes in gene expression under continuous rotation conditions were noted: in all isolates vraX, a gene encoding a polypeptide associated with cell wall stress, was down-regulated. A vraX deletion mutant of S. aureus SH1000 was constructed: no differences were found between SH1000 and ΔvraX with respect to colony phenotype, viability, protein export, antibiotic susceptibility, vancomycin kill kinetics, susceptibility to cold or heat and gene modulation. An ab initio protein-ligand docking simulation suggests a major binding site for β-lactam drugs such as imipenem. If such changes to the bacterial phenotype occur during spaceflight, they will compromise the capacity of staphylococci to cause systemic infection and to circumvent antibacterial chemotherapy.

75 FR 69141 - Submission for Review: Revision of an Existing Information Collection, USAJOBS

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-10

...). 5 CFR 315.611. 5. Veterans Recruitment Appointment (VRA). 5 CFR 307. 5 CFR 316.302(b)(2) Term... OF 612 is incorporated in the online Resume Builder on the USAJOBS Web site. The need to maintain the...

7 CFR 1730.20 - General.

Code of Federal Regulations, 2010 CFR

2010-01-01

..., individually or regionally performing a system security Vulnerability and Risk Assessment (VRA), establishing... electrical condition and security of its electric system and for the quality of services provided to its... sufficient resources to operate and maintain its system and annually exercise its ERP in accordance with the...

Fluorescence background removal method for biological Raman spectroscopy based on empirical mode decomposition.

PubMed

Leon-Bejarano, Maritza; Dorantes-Mendez, Guadalupe; Ramirez-Elias, Miguel; Mendez, Martin O; Alba, Alfonso; Rodriguez-Leyva, Ildefonso; Jimenez, M

2016-08-01

Raman spectroscopy of biological tissue presents fluorescence background, an undesirable effect that generates false Raman intensities. This paper proposes the application of the Empirical Mode Decomposition (EMD) method to baseline correction. EMD is a suitable approach since it is an adaptive signal processing method for nonlinear and non-stationary signal analysis that does not require parameters selection such as polynomial methods. EMD performance was assessed through synthetic Raman spectra with different signal to noise ratio (SNR). The correlation coefficient between synthetic Raman spectra and the recovered one after EMD denoising was higher than 0.92. Additionally, twenty Raman spectra from skin were used to evaluate EMD performance and the results were compared with Vancouver Raman algorithm (VRA). The comparison resulted in a mean square error (MSE) of 0.001554. High correlation coefficient using synthetic spectra and low MSE in the comparison between EMD and VRA suggest that EMD could be an effective method to remove fluorescence background in biological Raman spectra.

International Metadata Initiatives: Lessons in Bibliographic Control.

ERIC Educational Resources Information Center

Caplan, Priscilla

This paper looks at a subset of metadata schemes, including the Text Encoding Initiative (TEI) header, the Encoded Archival Description (EAD), the Dublin Core Metadata Element Set (DCMES), and the Visual Resources Association (VRA) Core Categories for visual resources. It examines why they developed as they did, major point of difference from…

5 CFR 316.402 - Procedures for making temporary appointments.

Code of Federal Regulations, 2011 CFR

2011-01-01

... an individual who is qualified for the position and who is eligible for: (1) Reinstatement under... appointments. Such appointments are not VRA appointments and do not lead to conversion to career-conditional... any position for which the individual is qualified. Reappointment must be for a minimum of 120 days...

5 CFR 316.302 - Selection of term employees.

Code of Federal Regulations, 2011 CFR

2011-01-01

... requirements of parts 332 and 333 of this chapter, to an individual who is qualified for the position and who... appointments not excepted VRA appointments and do not lead to conversion to career-conditional appointment; (3... qualifies. Combined service under the original term appointment and reappointment must not exceed the 4-year...

5 CFR 316.302 - Selection of term employees.

Code of Federal Regulations, 2010 CFR

2010-01-01

... appointments not excepted VRA appointments and do not lead to conversion to career-conditional appointment; (3) Career-conditional appointment under § 315.601, 315.604, 315.605, 315.606, 315.607, 315.608, 315.609, 315... Accounting Office; (6) Appointment under 28 U.S.C. 602 for current and former employees of the Administrative...

5 CFR 316.402 - Procedures for making temporary appointments.

Code of Federal Regulations, 2010 CFR

2010-01-01

... appointments. Such appointments are not VRA appointments and do not lead to conversion to career-conditional appointment; (3) Career-conditional appointment under § 315.601, 315.604, 315.605, 315.606, 315.607, 315.608... the General Accounting Office; (6) Appointment under 28 U.S.C. 602 for current and former employees of...

MS Dunbar works onboard Spacehab

NASA Image and Video Library

1998-03-04

S89-E-5285 (25 Jan 1998) --- This Electronic Still Camera (ESC) image shows mission specialist Bonnie J. Dunbar, payload commander, working in the Spacehab Module onboard the Space Shuttle Endeavour. Dunbar is working with RME-1326, a Risk Mitigation Experiment (RME) at the Volatile Removal Assembly (VRA). This ESC view was taken on January 25, 1998 at 13:16:22 GMT.

The Voting Rights Act and Latino Voter Registration: Symbolic Assistance for English-Speaking Latinos

ERIC Educational Resources Information Center

Parkin, Michael; Zlotnick, Frances

2014-01-01

This study explores how the language minority provisions in the Voting Rights Act (VRA) affect Latino voter registration. We are particularly interested in how these provisions affect Latino citizens with varying levels of English language proficiency. Using data from the 2006 National Latino Survey, we find that Latino citizens with limited…

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin; Anderson, Molly

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA) that were developed using the Aspen Custom Modeler and Aspen Plus process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Identification of neonatal hearing impairment: evaluation of transient evoked otoacoustic emission, distortion product otoacoustic emission, and auditory brain stem response test performance.

PubMed

Norton, S J; Gorga, M P; Widen, J E; Folsom, R C; Sininger, Y; Cone-Wesson, B; Vohr, B R; Mascher, K; Fletcher, K

2000-10-01

The purpose of this study was to compare the performance of transient evoked otoacoustic emissions (TEOAEs), distortion product otoacoustic emissions (DPOAEs), and auditory brain stem responses (ABRs) as tools for identification of neonatal hearing impairment. A total of 4911 infants including 4478 graduates of neonatal intensive care units, 353 well babies with one or more risk factors for hearing loss (Joint Committee on Infant Hearing, 1994) and 80 well babies without risk factor who did not pass one or more neonatal test were targeted as the potential subject pool on which test performance would be assessed. During the neonatal period, they were evaluated using TEOAEs in response to an 80 dB pSPL click, DPOAE responses to two stimulus conditions (L1 = L2 = 75 dB SPL and L1 = 65 dB SPL L2 = 50 dB SPL), and ABR elicited by a 30 dB nHL click. In an effort to describe test performance, these "at-risk" infants were asked to return for behavioral audiologic assessments, using visual reinforcement audiometry (VRA) at 8 to 12 mo corrected age, regardless of neonatal test results. Sixty-four percent of these subjects returned and reliable VRA data were obtained on 95.6% of these returnees. This approach is in contrast to previous studies in which, by necessity, efforts were made to follow only those infants who "failed" the neonatal screening tests. The accuracy of the neonatal measures in predicting hearing status at 8 to 12 mo corrected age was determined. Only those infants who provided reliable, monaural VRA test results were included in the analysis. Separate analyses were performed without regard to intercurrent events (i.e., events between the neonatal and VRA tests that could cause their results to disagree), and then after accounting for the possible influence of intercurrent events such as otitis media and late-onset or progressive hearing loss. Low refer rates were achieved for the stopping criteria used in the present study, especially when a protocol similar to the one recommended in the National Institutes of Health (1993) Consensus Conference Report was followed. These analyses, however, do not completely describe test performance because they did not compare neonatal screening test results with a gold standard test of hearing. Test performance, as measured by the area under a relative operating characteristic curve, were similar for all three neonatal tests when neonatal test results were compared with VRA data obtained at 8 to 12 mo corrected age. However, ABRs were more successful at determining auditory status at 1 kHz, compared with the otoacoustic emission (OAE) tests. Performance was more similar across all three tests when they were used to identify hearing loss at 2 and 4 kHz. No test performed perfectly. Using either the two- or three-frequency pure-tone average (PTA), with a fixed false alarm rate of 20%, hit rates for the neonatal tests, in general, exceeded 80% when hearing impairment was defined as behavioral thresholds > or =30 dB HL. All three tests performed similarly when a two-frequency (2 and 4 kHz) PTA was used as the gold standard; OAE test performance decreased when a three-frequency PTA (adding 1 kHz) was used as the gold standard definition. For both PTA and all three neonatal screening measures, however, hit rate increased as the magnitude of hearing loss increased. Singly, all three neonatal hearing screening tests resulted in low refer rates, especially if referrals for follow-up were made only for the cases in which stopping criteria were not met in both ears. Following a protocol similar to that recommended in the National Institutes of Health (1993) Consensus Conference report resulted in refer rates that were less than 4%. TEOAEs at 80 dB pSPL, DPOAE at L1 = 65, L2 = 50 dB SPL and ABR at 30 dB nHL measured during the neonatal period, and as implemented in the current study, performed similarly at predicting behavioral hearing status at 8 to 12

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2012-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA). These dynamic models were developed using the Aspen Custom Modeler (Registered TradeMark) and Aspen Plus(Registered TradeMark) process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Development of the Packed Bed Reactor ISS Flight Experiment

NASA Technical Reports Server (NTRS)

Patton, Martin O.; Bruzas, Anthony E.; Rame, Enrique; Motil, Brian J.

2012-01-01

Packed bed reactors are compact, require minimum power and maintenance to operate, and are highly reliable. These features make this technology a leading candidate as a potential unit operation in support of long duration human space exploration. On earth, this type of reactor accounts for approximately 80% of all the reactors used in the chemical process industry today. Development of this technology for space exploration is truly crosscutting with many other potential applications (e.g., in-situ chemical processing of planetary materials and transport of nutrients through soil). NASA is developing an ISS experiment to address this technology with particular focus on water reclamation and air revitalization. Earlier research and development efforts funded by NASA have resulted in two hydrodynamic models which require validation with appropriate instrumentation in an extended microgravity environment. The first model developed by Motil et al., (2003) is based on a modified Ergun equation. This model was demonstrated at moderate gas and liquid flow rates, but extension to the lower flow rates expected in many advanced life support systems must be validated. The other model, developed by Guo et al., (2004) is based on Darcy s (1856) law for two-phase flow. This model has been validated for a narrow range of flow parameters indirectly (without full instrumentation) and included test points where the flow was not fully developed. The flight experiment presented will be designed with removable test sections to test the hydrodynamic models. The experiment will provide flexibility to test additional beds with different types of packing in the future. One initial test bed is based on the VRA (Volatile Removal Assembly), a packed bed reactor currently on ISS whose behavior in micro-gravity is not fully understood. Improving the performance of this system through an accurate model will increase our ability to purify water in the space environment.

Direct Spinal Ventral Root Repair following Avulsion: Effectiveness of a New Heterologous Fibrin Sealant on Motoneuron Survival and Regeneration

PubMed Central

Barbizan, Roberta; Seabra Ferreira, Rui

2016-01-01

Axonal injuries at the interface between central and peripheral nervous system, such as ventral root avulsion (VRA), induce important degenerative processes, mostly resulting in neuronal and motor function loss. In the present work, we have compared two different fibrin sealants, one derived from human blood and another derived from animal blood and Crotalus durissus terrificus venom, as a promising treatment for this type of injury. Lewis rats were submitted to VRA (L4–L6) and had the avulsed roots reimplanted to the surface of the spinal cord, with the aid of fibrin sealant. The spinal cords were processed to evaluate neuronal survival, synaptic stability, and glial reactivity, 4 and 12 weeks after lesion. Sciatic nerves were processed to investigate Schwann cell activity by p75NTR expression (4 weeks after surgery) and to count myelinated axons and morphometric evaluation (12 weeks after surgery). Walking track test was used to evaluate gait recovery, up to 12 weeks. The results indicate that both fibrin sealants are similarly efficient. However, the snake-derived fibrin glue is a potentially safer alternative for being a biological and biodegradable product which does not contain human blood derivatives. Therefore, the venom glue can be a useful tool for the scientific community due to its advantages and variety of applications. PMID:27642524

Ubiquinol reduces muscle wasting but not fatigue in tumor-bearing mice.

PubMed

Clark, Yvonne Y; Wold, Loren E; Szalacha, Laura A; McCarthy, Donna O

2015-05-01

Fatigue is the most common and distressing symptom reported by cancer patients during and after treatment. Tumor growth increases oxidative stress and cytokine production, which causes skeletal muscle wasting and cardiac dysfunction. The purpose of this study was to determine whether treatment with the antioxidant ubiquinol improves muscle mass, cardiac function, and behavioral measures of fatigue in tumor-bearing mice. Adult female mice were inoculated with colon26 tumor cells. Half the control and tumor-bearing mice were administered ubiquinol (500 mg/kg/day) in their drinking water. Voluntary wheel running (i.e., voluntary running activity [VRA]) and grip strength were measured at Days 0, 8, 14, and 17 of tumor growth. Cardiac function was measured using echocardiography on Day 18 or 19. Biomarkers of inflammation, protein degradation, and oxidative stress were measured in serum and heart and gastrocnemius tissue. VRA and grip strength progressively declined in tumor-bearing mice. Muscle mass and myocardial diastolic function were decreased, and expression of proinflammatory cytokines was increased in serum and muscle and heart tissue on Day 19 of tumor growth. Oxidative stress was present only in the heart, while biomarkers of protein degradation were increased only in the gastrocnemius muscle. Ubiquinol increased muscle mass in the tumor-bearing and control animals but had no effect on the expression of biomarkers of inflammation, protein degradation, or oxidative stress or on behavioral measures of fatigue. © The Author(s) 2014.

Chemical Analysis for Chitin as a Measure of Fungal Infiltration of Cellulosic Materials.

DTIC Science & Technology

1976-12-01

the addition of 50 n’.illiliters of I 2N hydrochloric acid). Store at .~lO0 C. (11) Bushnell-Haas medium (12) Glucosamine hydrochloride (I milliliter...Infiltration Cellu!.jsic Materials Fungus-Induced Deterioration Glucosamine A TRACT (Cl~ i~s ,.v.ra. ia. ~V ~~~~~a . y d Sd.niIl ~ By block ni b.,) A chemical...EXPERIMENTAL PROCEDURE 3. Approach to the Problem. Carry out laboratory experiments to investigate variables as: shelf life of stock glucosamine , digestion

Distribution of adrenergic and cholinergic nerve fibres within intrinsic nerves at the level of the human heart hilum.

PubMed

Petraitiene, Viktorija; Pauza, Dainius H; Benetis, Rimantas

2014-06-01

The disbalance between adrenergic (sympathetic) and cholinergic (parasympathetic) cardiac inputs facilitates cardiac arrhythmias, including the lethal ones. In spite of the fact that the morphological pattern of the epicardiac ganglionated subplexuses (ENsubP) has been previously described in detail, the distribution of functionally distinct axons in human intrinsic nerves was not investigated thus far. Therefore, the aim of the present study was to quantitatively evaluate the distribution of tyrosine hydroxylase (TH)- and choline acetyltransferase (ChAT)-positive axons within intrinsic nerves at the level of the human heart hilum (HH), since they are of pivotal importance for determining proper treatment options for different arrhythmias. Tissue samples containing the intrinsic nerves from seven epicardiac subplexuses were obtained from nine human hearts without cardiac pathology and processed for immunofluorescent detection of TH and ChAT. The nerve area was measured and the numbers of axons were counted using microphotographs of nerve profiles. The densities of fibres were extrapolated and compared between subplexuses. ChAT-immunoreactive (IR) fibres were evidently predominant (>56%) in nerves of dorsal (DRA) and ventral right atrial (VRA) ENsubP. Within both left (LC) and right coronary ENsubP, the most abundant (70.9 and 83.0%, respectively) were TH-IR axons. Despite subplexal dependence, ChAT-IR fibres prevailed in comparatively thinner nerves, whereas TH-IR fibres in thicker ones. Morphometry showed that at the level of HH: (i) LC subplexal nerves were found to be the thickest (25 737 ± 4131 μm(2)) ones, whereas the thinnest (2604 ± 213 μm(2)) nerves concentrated in DRA ENsubP; (ii) the density of ChAT-IR axons was highest (6.8 ± 0.6/100 μm(2)) in the ventral left atrial nerves and lowest (3.2 ± 0.1/100 μm(2)) in left dorsal ENsubP and (iii) the density of TH-IR fibres was highest (15.9 ± 2.1/100 μm(2)) in LC subplexal nerves and lowest (4.4 ± 0.3/100 μm(2)) in VRA nerves. (i) The principal intrinsic adrenergic neural pathways in the human heart proceed via both coronary ENsubP that supply cardiac ventricles and (ii) the majority of cholinergic nerve fibres access the human heart through DRA and VRA ENsubP and extend towards the right atrium, including the region of the sinuatrial node. © The Author 2013. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

A functional video-based anthropometric measuring system

NASA Technical Reports Server (NTRS)

Nixon, J. H.; Cater, J. P.

1982-01-01

A high-speed anthropometric three dimensional measurement system using the Selcom Selspot motion tracking instrument for visual data acquisition is discussed. A three-dimensional scanning system was created which collects video, audio, and performance data on a single standard video cassette recorder. Recording rates of 1 megabit per second for periods of up to two hours are possible with the system design. A high-speed off-the-shelf motion analysis system for collecting optical information as used. The video recording adapter (VRA) is interfaced to the Selspot data acquisition system.

Nonlinear Fault Diagnosis,

DTIC Science & Technology

1981-05-01

obtained if one first generates a data base in terms cf the nominal circuit parameters and then extracts the aocrooriate s’pnbo𔃾c transfer functicn from...0 0 0 0 I 0 I 0 0 0 0 Here we initially allow V0 , ICl , VRA ,and IE to be taken as test outputs. The measure of testability 6min is used to extract ...C C IN QQ2M + VB2 R5 R L V 0 LO R2 R Fig. 4 Direct-Coupled Two-Stage Amplifier The component-connection equations for Mode 2 analysis are: VR1 0 0 0 0

Molecular Events for Promotion of Vancomycin Resistance in Vancomycin Intermediate Staphylococcus aureus

PubMed Central

Hu, Qiwen; Peng, Huagang; Rao, Xiancai

2016-01-01

Vancomycin has been used as the last resort in the clinical treatment of serious Staphylococcus aureus infections. Vancomycin-intermediate S. aureus (VISA) was discovered almost two decades ago. Aside from the vancomycin-intermediate phenotype, VISA strains from the clinic or laboratory exhibited common characteristics, such as thickened cell walls, reduced autolysis, and attenuated virulence. However, the genetic mechanisms responsible for the reduced vancomycin susceptibility in VISA are varied. The comparative genomics of vancomycin-susceptible S. aureus (VSSA)/VISA pairs showed diverse genetic mutations in VISA; only a small number of these mutations have been experimentally verified. To connect the diversified genotypes and common phenotypes in VISA, we reviewed the genetic alterations in the relative determinants, including mutations in the vraTSR, graSR, walKR, stk1/stp1, rpoB, clpP, and cmk genes. Especially, we analyzed the mechanism through which diverse mutations mediate vancomycin resistance. We propose a unified model that integrates diverse gene functions and complex biochemical processes in VISA upon the action of vancomycin. PMID:27790199

Identification of a feline leukemia virus variant that can use THTR1, FLVCR1, and FLVCR2 for infection.

PubMed

Shalev, Zvi; Duffy, Simon P; Adema, Karen W; Prasad, Rati; Hussain, Naveen; Willett, Brian J; Tailor, Chetankumar S

2009-07-01

The pathogenic subgroup C feline leukemia virus (FeLV-C) arises in infected cats as a result of mutations in the envelope (Env) of the subgroup A FeLV (FeLV-A). To better understand emergence of FeLV-C and potential FeLV intermediates that may arise, we characterized FeLV Env sequences from the primary FY981 FeLV isolate previously derived from an anemic cat. Here, we report the characterization of the novel FY981 FeLV Env that is highly related to FeLV-A Env but whose variable region A (VRA) receptor recognition sequence partially resembles the VRA sequence from the prototypical FeLV-C/Sarma Env. Pseudotype viruses bearing FY981 Env were capable of infecting feline, human, and guinea pig cells, suggestive of a subgroup C phenotype, but also infected porcine ST-IOWA cells that are normally resistant to FeLV-C and to FeLV-A. Analysis of the host receptor used by FY981 suggests that FY981 can use both the FeLV-C receptor FLVCR1 and the feline FeLV-A receptor THTR1 for infection. However, our results suggest that FY981 infection of ST-IOWA cells is not mediated by the porcine homologue of FLVCR1 and THTR1 but by an alternative receptor, which we have now identified as the FLVCR1-related protein FLVCR2. Together, our results suggest that FY981 FeLV uses FLVCR1, FLVCR2, and THTR1 as receptors. Our findings suggest the possibility that pathogenic FeLV-C arises in FeLV-infected cats through intermediates that are multitropic in their receptor use.

The influence of recovery posture on post-exercise hypotension in normotensive men.

PubMed

Raine, N M; Cable, N T; George, K P; Campbell, I G

2001-03-01

Postexercise hypotension may be the result of an impaired vasoconstrictor response. This hypothesis was investigated by examining the central and peripheral hemodynamic responses during supine and seated recovery after maximal upright exercise. After supine or seated baseline measurements, seven normotensive male volunteers completed a graded upright cycling protocol to volitional exhaustion. This was immediately followed by either supine or seated recovery. Measurements of pulsatile arterial blood pressure and central and peripheral hemodynamic variables recorded 30 min before exercise were compared with those taken throughout 60 min of recovery. Compared with baseline, mean arterial pressure (MAP) was reduced after exercise (P < 0.05) although the degree of change was not different between the supine (-9 +/- 4 mm Hg) and seated positions (-6 +/- 2 mm Hg). This change in MAP was associated with a reduction in diastolic blood pressure (DBP) (P < 0.05) and arterial pulse pressure (APP) (P < 0.01) for the supine and seated positions, respectively. The reduction in APP during seated recovery was accompanied by a decline in stroke volume (SV) (P < 0.05), not seen in the supine position, that limited the contribution of cardiac output (CO) to the maintenance of MAP. This effect of seated recovery was compensated by greater systemic (SVR) and regional vascular resistances in the forearm (FVR) and the forearm skin (SkVRA). There was also evidence of an augmented return of FVR and SkVRA to resting levels in the seated position after exercise. The lower peripheral resistance in the supine compared with seated recovery position suggests there is potential for greater vasoconstriction, although this is not evoked to increase blood pressure. This further suggests that the arterial baroreceptor reflex is reset to a lower operating pressure after exercise.

Complete Reconstitution of the Vancomycin-Intermediate Staphylococcus aureus Phenotype of Strain Mu50 in Vancomycin-Susceptible S. aureus

PubMed Central

Sekine, Miwa; Hishinuma, Tomomi; Aiba, Yoshifumi; Hiramatsu, Keiichi

2016-01-01

Complete reconstitution of the vancomycin-intermediate Staphylococcus aureus (VISA) phenotype of strain Mu50 was achieved by sequentially introducing mutations into six genes of vancomycin-susceptible S. aureus (VSSA) strain N315ΔIP. The six mutated genes were detected in VISA strain Mu50 but not in N315ΔIP. Introduction of the mutation Ser329Leu into vraS, encoding the sensor histidine kinase of the vraSR two-component regulatory (TCR) system, and another mutation, Glu146Lys, into msrR, belonging to the LytR-CpsA-Psr (LCP) family, increased the level of vancomycin resistance to that detected in heterogeneous vancomycin-intermediate S. aureus (hVISA) strain Mu3. Introduction of two more mutations, Asn197Ser into graR of the graSR TCR system and His481Tyr into rpoB, encoding the β subunit of RNA polymerase, converted the hVISA strain into a VISA strain with the same level of vancomycin resistance as Mu50. Surprisingly, however, the constructed quadruple mutant strain ΔIP4 did not have a thickened cell wall, a cardinal feature of the VISA phenotype. Subsequent study showed that cell wall thickening was an inducible phenotype in the mutant strain, whereas it was a constitutive one in Mu50. Finally, introduction of the Ala297Val mutation into fdh2, which encodes a putative formate dehydrogenase, or a 67-amino-acid sequence deletion into sle1 [sle1(Δ67aa)], encoding the hydrolase of N-acetylmuramyl-l-alanine amidase in the peptidoglycan, converted inducible cell wall thickening into constitutive cell wall thickening. sle1(Δ67aa) was found to cause a drastic decrease in autolysis activity. Thus, all six mutated genes required for acquisition of the VISA phenotype were directly or indirectly involved in the regulation of cell physiology. The VISA phenotype seemed to be achieved through multiple genetic events accompanying drastic changes in cell physiology. PMID:27067329

Managing and eradicating wildlife tuberculosis in New Zealand

PubMed Central

Warburton, B; Livingstone, P

2015-01-01

Abstract Tuberculosis (TB) due to Mycobacterium bovis infection was first identified in brushtail possums (Trichosurus vulpecula) in New Zealand in the late 1960s. Since the early 1970s, possums in New Zealand have been controlled as part of an ongoing strategy to manage the disease in livestock. The TB management authority (TBfree New Zealand) currently implements three strategic choices for disease-related possum control: firstly TB eradication in areas selected for eradication of the disease from livestock and wildlife, secondly Free Area Protection in areas in which possums are maintained at low densities, normally along a Vector Risk Area (VRA) boundary, and thirdly Infected Herd Suppression, which includes the remaining parts of VRA where possums are targeted to minimise the infection risk to livestock. Management is primarily through a range of lethal control options. The frequency and intensity of control is driven by a requirement to reduce populations to very low levels (usually to a trap-catch index below 2%), then to hold them at or below this level for 5–10 years to ensure disease eradication.Lethal possum control is implemented using aerial- and ground-based applications, under various regulatory and operational constraints. Extensive research has been undertaken aimed at improving the efficacy and efficiency of control. Aerial applications use sodium fluoroacetate (1080) bait for controlling possums over extensive and rugged areas of forest that are difficult to access by foot. Ground-based control uses a range of toxins (primarily, a potassium cyanide-based product) and traps. In the last 5 years there has been a shift from simple possum population control to the collection of spatial data on possum presence/absence and relative density, using simple possum detection devices using global positioning system-supported data collection tools, with recovery of possum carcasses for diagnostic necropsy. Such data provide information subsequently used in predictive epidemiological models to generate a probability of TB freedom.The strategies for managing TB in New Zealand wildlife now operate on four major principles: firstly a target threshold for possum population reduction is defined and set, secondly an objective methodology is applied for assessing whether target reductions have been achieved, thirdly effective control tools for achieving possum population reductions are used, and fourthly the necessary legislative support is in place to ensure compliance. TBfree New Zealand's possum control programme meets these requirements, providing an excellent example of an effective pest and disease control programme. PMID:25582863

Exploring Cultural Heritage Resources in a 3d Collaborative Environment

NASA Astrophysics Data System (ADS)

Respaldiza, A.; Wachowicz, M.; Vázquez Hoehne, A.

2012-06-01

Cultural heritage is a complex and diverse concept, which brings together a wide domain of information. Resources linked to a cultural heritage site may consist of physical artefacts, books, works of art, pictures, historical maps, aerial photographs, archaeological surveys and 3D models. Moreover, all these resources are listed and described by a set of a variety of metadata specifications that allow their online search and consultation on the most basic characteristics of them. Some examples include Norma ISO 19115, Dublin Core, AAT, CDWA, CCO, DACS, MARC, MoReq, MODS, MuseumDat, TGN, SPECTRUM, VRA Core and Z39.50. Gateways are in place to fit in these metadata standards into those used in a SDI (ISO 19115 or INSPIRE), but substantial work still remains to be done for the complete incorporation of cultural heritage information. Therefore, the aim of this paper is to demonstrate how the complexity of cultural heritage resources can be dealt with by a visual exploration of their metadata within a 3D collaborative environment. The 3D collaborative environments are promising tools that represent the new frontier of our capacity of learning, understanding, communicating and transmitting culture.

Recurrence plot for parameters analysing of internal combustion engine

NASA Astrophysics Data System (ADS)

Alexa, O.; Ilie, C. O.; Marinescu, M.; Vilau, R.; Grosu, D.

2015-11-01

In many technical disciplines modem data analysis techniques has been successfully applied to understand the complexity of the system. The growing volume of theoretical knowledge about systems dynamic's offered researchers the opportunity to look for non-linear dynamics in data whose evolution linear models are unable to explain in a satisfactory manner. One approach in this respect is Recurrence Analysis - RA which is a graphical method designed to locate hidden recurring patterns, nonstationarity and structural changes. RA approach arose in natural sciences like physics and biology but quickly was adopted in economics and engineering. Meanwhile. The fast development of computer resources has provided powerful tools to perform this new and complex model. One free software which was used to perform our analysis is Visual Recurrence Analysis - VRA developed by Eugene Kononov. As is presented in this paper, the recurrence plot investigation for the analyzing of the internal combustion engine shows some of the RPA capabilities in this domain. We chose two specific engine parameters measured in two different tests to perform the RPA. These parameters are injection impulse width and engine angular speed and the tests are I11n and I51n. There were computed graphs for each of them. Graphs were analyzed and compared to obtain a conclusion. This work is an incipient research, being one of the first attempts of using recurrence plot for analyzing automotive dynamics. It opens a wide field of action for future research programs.

Bioaccumulation of Vanadium by Vanadium-Resistant Bacteria Isolated from the Intestine of Ascidia sydneiensis samea.

PubMed

Romaidi; Ueki, Tatsuya

2016-06-01

Isolation of naturally occurring bacterial strains from metal-rich environments has gained popularity due to the growing need for bioremediation technologies. In this study, we found that the vanadium concentration in the intestine of the vanadium-rich ascidian Ascidia sydneiensis samea could reach 0.67 mM, and thus, we isolated vanadium-resistant bacteria from the intestinal contents and determined the ability of each bacterial strain to accumulate vanadium and other heavy metals. Nine strains of vanadium-resistant bacteria were successfully isolated, of which two strains, V-RA-4 and S-RA-6, accumulated vanadium at a higher rate than did the other strains. The maximum vanadium absorption by these bacteria was achieved at pH 3, and intracellular accumulation was the predominant mechanism. Each strain strongly accumulated copper and cobalt ions, but accumulation of nickel and molybdate ions was relatively low. These bacterial strains can be applied to protocols for bioremediation of vanadium and heavy metal toxicity.

Enhanced Oxidation Catalysts for Water Reclamation

NASA Technical Reports Server (NTRS)

Jolly, Clifford D.

1999-01-01

This effort seeks to develop and test high-performance, long operating life, physically stable catalysts for use in spacecraft water reclamation systems. The primary goals are to a) reduce the quantity of expendable water filters used to purify water aboard spacecraft, b) to extend the life of the oxidation catalysts used for eliminating organic contaminants in the water reclamation systems, and c) reduce the weight/volume of the catalytic oxidation systems (e.g. VRA) used. This effort is targeted toward later space station utilization and will consist of developing flight-qualifiable catalysts and long-term ground tests of the catalyst prior to their utilization in flight. Fixed -bed catalytic reactors containing 5% platinum on granular activated carbon have been subjected to long-term dynamic column tests to measure catalyst stability vs throughput. The data generated so far indicate that an order of magnitude improvement can be obtained with the treated catalysts vs the control catalyst, at only a minor loss (approx 10%) in the initial catalytic activity.

Dissecting Vancomycin-Intermediate Resistance in Staphylococcus aureus Using Genome-Wide Association

PubMed Central

Alam, Md Tauqeer; Petit, Robert A.; Crispell, Emily K.; Thornton, Timothy A.; Conneely, Karen N.; Jiang, Yunxuan; Satola, Sarah W.; Read, Timothy D.

2014-01-01

Vancomycin-intermediate Staphylococcus aureus (VISA) is currently defined as having minimal inhibitory concentration (MIC) of 4–8 µg/ml. VISA evolves through changes in multiple genetic loci with at least 16 candidate genes identified in clinical and in vitro-selected VISA strains. We report a whole-genome comparative analysis of 49 vancomycin-sensitive S. aureus and 26 VISA strains. Resistance to vancomycin was determined by broth microdilution, Etest, and population analysis profile-area under the curve (PAP-AUC). Genome-wide association studies (GWAS) of 55,977 single-nucleotide polymorphisms identified in one or more strains found one highly significant association (P = 8.78E-08) between a nonsynonymous mutation at codon 481 (H481) of the rpoB gene and increased vancomycin MIC. Additionally, we used a database of public S. aureus genome sequences to identify rare mutations in candidate genes associated with VISA. On the basis of these data, we proposed a preliminary model called ECM+RMCG for the VISA phenotype as a benchmark for future efforts. The model predicted VISA based on the presence of a rare mutation in a set of candidate genes (walKR, vraSR, graSR, and agrA) and/or three previously experimentally verified mutations (including the rpoB H481 locus) with an accuracy of 81% and a sensitivity of 73%. Further, the level of resistance measured by both Etest and PAP-AUC regressed positively with the number of mutations present in a strain. This study demonstrated 1) the power of GWAS for identifying common genetic variants associated with antibiotic resistance in bacteria and 2) that rare mutations in candidate gene, identified using large genomic data sets, can also be associated with resistance phenotypes. PMID:24787619

The surface glycoprotein of a natural feline leukemia virus subgroup A variant, FeLV-945, as a determinant of disease outcome.

PubMed

Bolin, Lisa L; Ahmad, Shamim; Levy, Laura S

2011-10-15

Feline leukemia virus (FeLV) is a natural retrovirus of domestic cats associated with degenerative, proliferative and malignant diseases. Studies of FeLV infection in a cohort of naturally infected cats were undertaken to examine FeLV variation, the selective pressures operative in FeLV infection that lead to predominance of natural variants, and the consequences for infection and disease progression. A unique variant, designated FeLV-945, was identified as the predominant isolate in the cohort and was associated with non-T-cell diseases including multicentric lymphoma. FeLV-945 was assigned to the FeLV-A subgroup based on sequence analysis and receptor utilization, but was shown to differ in sequence from a prototype member of FeLV-A, designated FeLV-A/61E, in the long terminal repeat (LTR) and the surface glycoprotein gene (SU). A unique sequence motif in the FeLV-945 LTR was shown to function as a transcriptional enhancer and to confer a replicative advantage. The FeLV-945 SU protein was observed to differ in sequence as compared to FeLV-A/61E within functional domains known to determine receptor selection and binding. Experimental infection of newborn cats was performed using wild type FeLV-A/61E or recombinant FeLV-A/61E in which the LTR (61E/945L) or LTR and SU (61E/945SL) were exchanged for that of FeLV-945. Infection with either FeLV-A/61E or 61E/945L resulted in T-cell lymphoma of the thymus, although 61E/945L caused disease significantly more rapidly. In contrast, infection with 61E/945SL resulted in the rapid induction of a multicentric lymphoma of B-cell origin, thus recapitulating the outcome of natural infection and implicating FeLV-945 SU as a determinant of disease outcome. Recombinant FeLV-B was detected infrequently and at low levels in multicentric lymphomas, and was thereby not implicated in disease induction. Preliminary studies of receptor interaction indicated that virus particles bearing FeLV-945 SU bind to the FeLV-A receptor more efficiently than do particles bearing FeLV-A/61E SU, and that soluble SU proteins expressed from the viruses demonstrate the same differential binding phenotype. Preliminary mutational analysis of FeLV-945 was performed by exchanging regions containing either the primary receptor binding determinant, VRA, the secondary determinant, VRB, or a proline-rich region, PRR, with that of FeLV-A/61E. Results implicated a region containing VRA as a minor contributor, while a region containing VRB largely conferred increased binding efficiency. Copyright © 2011 Elsevier B.V. All rights reserved.

Comparative Transcriptomics Reveals Discrete Survival Responses of S. aureus and S. epidermidis to Sapienic Acid

PubMed Central

Moran, Josephine C.; Alorabi, Jamal A.; Horsburgh, Malcolm J.

2017-01-01

Staphylococcal colonization of human skin is ubiquitous, with particular species more frequent at different body sites. Whereas Staphylococcus epidermidis can be isolated from the skin of every individual tested, Staphylococcus aureus is isolated from <5% of healthy individuals. The factors that drive staphylococcal speciation and niche selection on skin are incompletely defined. Here we show that S. aureus is inhibited to a greater extent than S. epidermidis by the sebaceous lipid sapienic acid, supporting a role for this skin antimicrobial in selection of skin staphylococci. We used RNA-Seq and comparative transcriptomics to identify the sapienic acid survival responses of S. aureus and S. epidermidis. Consistent with the membrane depolarization mode of action of sapienic acid, both species shared a common transcriptional response to counteract disruption of metabolism and transport. The species differed in their regulation of SaeRS and VraRS regulons. While S. aureus upregulated urease operon transcription, S. epidermidis upregulated arginine deiminase, the oxygen-responsive NreABC nitrogen regulation system and the nitrate and nitrite reduction pathways. The role of S. aureus ACME and chromosomal arginine deiminase pathways in sapienic acid resistance was determined through mutational studies. We speculate that ammonia production could contribute to sapienic acid resistance in staphylococci. PMID:28179897

Influence of Delivery Method on Neuroprotection by Bone Marrow Mononuclear Cell Therapy following Ventral Root Reimplantation with Fibrin Sealant

PubMed Central

Barbizan, Roberta; Castro, Mateus V.; Barraviera, Benedito; Ferreira, Rui S.; Oliveira, Alexandre L. R.

2014-01-01

The present work compared the local injection of mononuclear cells to the spinal cord lateral funiculus with the alternative approach of local delivery with fibrin sealant after ventral root avulsion (VRA) and reimplantation. For that, female adult Lewis rats were divided into the following groups: avulsion only, reimplantation with fibrin sealant; root repair with fibrin sealant associated with mononuclear cells; and repair with fibrin sealant and injected mononuclear cells. Cell therapy resulted in greater survival of spinal motoneurons up to four weeks post-surgery, especially when mononuclear cells were added to the fibrin glue. Injection of mononuclear cells to the lateral funiculus yield similar results to the reimplantation alone. Additionally, mononuclear cells added to the fibrin glue increased neurotrophic factor gene transcript levels in the spinal cord ventral horn. Regarding the motor recovery, evaluated by the functional peroneal index, as well as the paw print pressure, cell treated rats performed equally well as compared to reimplanted only animals, and significantly better than the avulsion only subjects. The results herein demonstrate that mononuclear cells therapy is neuroprotective by increasing levels of brain derived neurotrophic factor (BDNF) and glial derived neurotrophic factor (GDNF). Moreover, the use of fibrin sealant mononuclear cells delivery approach gave the best and more long lasting results. PMID:25157845

Eye Movement Analysis and Cognitive Assessment. The Use of Comparative Visual Search Tasks in a Non-immersive VR Application.

PubMed

Rosa, Pedro J; Gamito, Pedro; Oliveira, Jorge; Morais, Diogo; Pavlovic, Matthew; Smyth, Olivia; Maia, Inês; Gomes, Tiago

2017-03-23

An adequate behavioral response depends on attentional and mnesic processes. When these basic cognitive functions are impaired, the use of non-immersive Virtual Reality Applications (VRAs) can be a reliable technique for assessing the level of impairment. However, most non-immersive VRAs use indirect measures to make inferences about visual attention and mnesic processes (e.g., time to task completion, error rate). To examine whether the eye movement analysis through eye tracking (ET) can be a reliable method to probe more effectively where and how attention is deployed and how it is linked with visual working memory during comparative visual search tasks (CVSTs) in non-immersive VRAs. The eye movements of 50 healthy participants were continuously recorded while CVSTs, selected from a set of cognitive tasks in the Systemic Lisbon Battery (SLB). Then a VRA designed to assess of cognitive impairments were randomly presented. The total fixation duration, the number of visits in the areas of interest and in the interstimulus space, along with the total execution time was significantly different as a function of the Mini Mental State Examination (MMSE) scores. The present study demonstrates that CVSTs in SLB, when combined with ET, can be a reliable and unobtrusive method for assessing cognitive abilities in healthy individuals, opening it to potential use in clinical samples.

Urban-rural fog differences in Belgrade area, Serbia

NASA Astrophysics Data System (ADS)

Vujović, Dragana; Todorović, Nedeljko

2018-02-01

Urban/rural fog appearance during the last 27 years in the Belgrade region is analysed using hourly meteorological records from two meteorological stations: an urban station at Belgrade-Vračar (BV) and a rural station at Belgrade-Airport (BA). The effects of urban development on fog formation are discussed through analysis of fog frequency trends and comparison with a number of meteorological parameters. The mean annual and the mean annual minimum temperatures were greater at the urban BV station than at the rural BA station. The mean monthly relative humidity and the mean monthly water vapour pressure were greater at the rural than urban station. During the period of research (1988-2014), BA experiences 425 more days with fog than BV, which means that BV experiences fog for 62.68% of foggy days at BA. Trends in the number of days with fog were statistically non-significant. We analysed the fog occurrence during different types of weather. Fog in urban BV occurred more frequently during cyclonal circulation (in 52.75% of cases). In rural BA, the trend was the opposite and fog appeared more frequently during anticyclonic circulation (in 53.58% of cases). Fog at BV occurred most frequently in stable anticyclonic weather with light wind, when a temperature inversion existed (21.86% of cases). Most frequently, fog at BA occurred in the morning and only lasted a short time, followed by clearer skies during the anticyclonic warm and dry weather (22.55% of cases).

The Staphylococcus aureus Response to Unsaturated Long Chain Free Fatty Acids: Survival Mechanisms and Virulence Implications

PubMed Central

Kenny, John G.; Ward, Deborah; Josefsson, Elisabet; Jonsson, Ing-Marie; Hinds, Jason; Rees, Huw H.; Lindsay, Jodi A.; Tarkowski, Andrej; Horsburgh, Malcolm J.

2009-01-01

Staphylococcus aureus is an important human commensal and opportunistic pathogen responsible for a wide range of infections. Long chain unsaturated free fatty acids represent a barrier to colonisation and infection by S. aureus and act as an antimicrobial component of the innate immune system where they are found on epithelial surfaces and in abscesses. Despite many contradictory reports, the precise anti-staphylococcal mode of action of free fatty acids remains undetermined. In this study, transcriptional (microarrays and qRT-PCR) and translational (proteomics) analyses were applied to ascertain the response of S. aureus to a range of free fatty acids. An increase in expression of the σB and CtsR stress response regulons was observed. This included increased expression of genes associated with staphyloxanthin synthesis, which has been linked to membrane stabilisation. Similarly, up-regulation of genes involved in capsule formation was recorded as were significant changes in the expression of genes associated with peptidoglycan synthesis and regulation. Overall, alterations were recorded predominantly in pathways involved in cellular energetics. In addition, sensitivity to linoleic acid of a range of defined (sigB, arcA, sasF, sarA, agr, crtM) and transposon-derived mutants (vraE, SAR2632) was determined. Taken together, these data indicate a common mode of action for long chain unsaturated fatty acids that involves disruption of the cell membrane, leading to interference with energy production within the bacterial cell. Contrary to data reported for other strains, the clinically important EMRSA-16 strain MRSA252 used in this study showed an increase in expression of the important virulence regulator RNAIII following all of the treatment conditions tested. An adaptive response by S. aureus of reducing cell surface hydrophobicity was also observed. Two fatty acid sensitive mutants created during this study were also shown to diplay altered pathogenesis as assessed by a murine arthritis model. Differences in the prevalence and clinical importance of S. aureus strains might partly be explained by their responses to antimicrobial fatty acids. PMID:19183815

Long-Term Spinal Ventral Root Reimplantation, but not Bone Marrow Mononuclear Cell Treatment, Positively Influences Ultrastructural Synapse Recovery and Motor Axonal Regrowth

PubMed Central

Barbizan, Roberta; Castro, Mateus V.; Ferreira Jr., Rui Seabra; Barraviera, Benedito; Oliveira, Alexandre L. R.

2014-01-01

We recently proposed a new surgical approach to treat ventral root avulsion, resulting in motoneuron protection. The present work combined such a surgical approach with bone marrow mononuclear cells (MC) therapy. Therefore, MC were added to the site of reimplantation. Female Lewis rats (seven weeks old) were subjected to unilateral ventral root avulsion (VRA) at L4, L5 and L6 levels and divided into the following groups (n = 5 for each group): Avulsion, sealant reimplanted roots and sealant reimplanted roots plus MC. After four weeks and 12 weeks post-surgery, the lumbar intumescences were processed by transmission electron microscopy, to analyze synaptic inputs to the repaired α motoneurons. Also, the ipsi and contralateral sciatic nerves were processed for axon counting and morphometry. The ultrastructural results indicated a significant preservation of inhibitory pre-synaptic boutons in the groups repaired with sealant alone and associated with MC therapy. Moreover, the average number of axons was higher in treated groups when compared to avulsion only. Complementary to the fiber counting, the morphometric analysis of axonal diameter and “g” ratio demonstrated that root reimplantation improved the motor component recovery. In conclusion, the data herein demonstrate that root reimplantation at the lesion site may be considered a therapeutic approach, following proximal lesions in the interface of central nervous system (CNS) and peripheral nervous system (PNS), and that MC therapy does not further improve the regenerative recovery, up to 12 weeks post lesion. PMID:25353176

A case study of a precision fertilizer application task generation for wheat based on classified hyperspectral data from UAV combined with farm history data

NASA Astrophysics Data System (ADS)

Kaivosoja, Jere; Pesonen, Liisa; Kleemola, Jouko; Pölönen, Ilkka; Salo, Heikki; Honkavaara, Eija; Saari, Heikki; Mäkynen, Jussi; Rajala, Ari

2013-10-01

Different remote sensing methods for detecting variations in agricultural fields have been studied in last two decades. There are already existing systems for planning and applying e.g. nitrogen fertilizers to the cereal crop fields. However, there are disadvantages such as high costs, adaptability, reliability, resolution aspects and final products dissemination. With an unmanned aerial vehicle (UAV) based airborne methods, data collection can be performed cost-efficiently with desired spatial and temporal resolutions, below clouds and under diverse weather conditions. A new Fabry-Perot interferometer based hyperspectral imaging technology implemented in an UAV has been introduced. In this research, we studied the possibilities of exploiting classified raster maps from hyperspectral data to produce a work task for a precision fertilizer application. The UAV flight campaign was performed in a wheat test field in Finland in the summer of 2012. Based on the campaign, we have classified raster maps estimating the biomass and nitrogen contents at approximately stage 34 in the Zadoks scale. We combined the classified maps with farm history data such as previous yield maps. Then we generalized the combined results and transformed it to a vectorized zonal task map suitable for farm machinery. We present the selected weights for each dataset in the processing chain and the resultant variable rate application (VRA) task. The additional fertilization according to the generated task was shown to be beneficial for the amount of yield. However, our study is indicating that there are still many uncertainties within the process chain.

MARMOT Phase-Field Model for the U-Si System

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

Aagesen, Larry Kenneth; Schwen, Daniel

2016-09-01

A phase-field model for the U-Si system has been implemented in MARMOT. The free energies for the phases relevant to accident-tolerant fuel applications (U 3Si 2, USi, U 3Si, and liquid) were implemented as free energy materials within MARMOT. A new three-phase phase-field model based on the concepts of the Kim-Kim-Suzuki two-phase model was developed and implemented in the MOOSE phase-field module. Key features of this model are that two-phase interfaces are stable with respect to formation of the third phase, and that arbitrary phase free energies can be used. The model was validated using a simplified three-phase system andmore » the U-Si system. In the U-Si system, the model correctly reproduced three-phase coexistence in a U 3Si 2-liquid-USi system at the eutectic temperature, solidification of a three-phase mixture below the eutectic temperature, and complete melting of a three-phase mixture above the eutectic temperature.« less

A stress-induced phase transition model for semi-crystallize shape memory polymer

NASA Astrophysics Data System (ADS)

Guo, Xiaogang; Zhou, Bo; Liu, Liwu; Liu, Yanju; Leng, Jinsong

2014-03-01

The developments of constitutive models for shape memory polymer (SMP) have been motivated by its increasing applications. During cooling or heating process, the phase transition which is a continuous time-dependent process happens in semi-crystallize SMP and the various individual phases form at different temperature and in different configuration. Then, the transformation between these phases occurred and shape memory effect will emerge. In addition, stress applied on SMP is an important factor for crystal melting during phase transition. In this theory, an ideal phase transition model considering stress or pre-strain is the key to describe the behaviors of shape memory effect. So a normal distributed model was established in this research to characterize the volume fraction of each phase in SMP during phase transition. Generally, the experiment results are partly backward (in heating process) or forward (in cooling process) compared with the ideal situation considering delay effect during phase transition. So, a correction on the normal distributed model is needed. Furthermore, a nonlinear relationship between stress and phase transition temperature Tg is also taken into account for establishing an accurately normal distributed phase transition model. Finally, the constitutive model which taking the stress as an influence factor on phase transition was also established. Compared with the other expressions, this new-type model possesses less parameter and is more accurate. For the sake of verifying the rationality and accuracy of new phase transition and constitutive model, the comparisons between the simulated and experimental results were carried out.

New approach to effective diffusion coefficient evaluation in the nanostructured two-phase media

NASA Astrophysics Data System (ADS)

Lyashenko, Yu. O.; Liashenko, O. Y.; Morozovich, V. V.

2018-03-01

Most widely used basic and combined models for evaluation of the effective diffusion parameters of inhomogeneous two-phase zone are reviewed. A new combined model of effective medium is analyzed for the description of diffusion processes in the two-phase zones. In this model the effective diffusivity depends on the growth kinetic coefficients of each phase, the volume fractions of phases and on the additional parameter that generally characterizes the structure type of the two-phase zone. Our combined model describes two-phase zone evolution in the binary systems based on consideration of the diffusion fluxes through both phases. The Lattice Monte Carlo method was used to test the validity of different phenomenological models for evaluation of the effective diffusivity in nanostructured two-phase zones with different structural morphology.

Model of the Phase Transition Mimicking the Pasta Phase in Cold and Dense Quark-Hadron Matter

NASA Astrophysics Data System (ADS)

Ayriyan, Alexander; Grigorian, Hovik

2018-02-01

A simple mixed phase model mimicking so-called "pasta" phases in the quarkhadron phase transition is developed and applied to static neutron stars for the case of DD2 type hadronic and NJL type quark matter models. The influence of the mixed phase on the mass-radius relation of the compact stars is investigated. Model parameters are chosen such that the results are in agreement with the mass-radius constraints.

Phase transitions in a multistate majority-vote model on complex networks

NASA Astrophysics Data System (ADS)

Chen, Hanshuang; Li, Guofeng

2018-06-01

We generalize the original majority-vote (MV) model from two states to arbitrary p states and study the order-disorder phase transitions in such a p -state MV model on complex networks. By extensive Monte Carlo simulations and a mean-field theory, we show that for p ≥3 the order of phase transition is essentially different from a continuous second-order phase transition in the original two-state MV model. Instead, for p ≥3 the model displays a discontinuous first-order phase transition, which is manifested by the appearance of the hysteresis phenomenon near the phase transition. Within the hysteresis loop, the ordered phase and disordered phase are coexisting, and rare flips between the two phases can be observed due to the finite-size fluctuation. Moreover, we investigate the type of phase transition under a slightly modified dynamics [Melo et al., J. Stat. Mech. (2010) P11032, 10.1088/1742-5468/2010/11/P11032]. We find that the order of phase transition in the three-state MV model depends on the degree heterogeneity of networks. For p ≥4 , both dynamics produce the first-order phase transitions.

Incorporating seismic phase correlations into a probabilistic model of global-scale seismology

NASA Astrophysics Data System (ADS)

Arora, Nimar

2013-04-01

We present a probabilistic model of seismic phases whereby the attributes of the body-wave phases are correlated to those of the first arriving P phase. This model has been incorporated into NET-VISA (Network processing Vertically Integrated Seismic Analysis) a probabilistic generative model of seismic events, their transmission, and detection on a global seismic network. In the earlier version of NET-VISA, seismic phase were assumed to be independent of each other. Although this didn't affect the quality of the inferred seismic bulletin, for the most part, it did result in a few instances of anomalous phase association. For example, an S phase with a smaller slowness than the corresponding P phase. We demonstrate that the phase attributes are indeed highly correlated, for example the uncertainty in the S phase travel time is significantly reduced given the P phase travel time. Our new model exploits these correlations to produce better calibrated probabilities for the events, as well as fewer anomalous associations.

Phase diagram of an extended Agassi model

NASA Astrophysics Data System (ADS)

García-Ramos, J. E.; Dukelsky, J.; Pérez-Fernández, P.; Arias, J. M.

2018-05-01

Background: The Agassi model [D. Agassi, Nucl. Phys. A 116, 49 (1968), 10.1016/0375-9474(68)90482-X] is an extension of the Lipkin-Meshkov-Glick (LMG) model [H. J. Lipkin, N. Meshkov, and A. J. Glick, Nucl. Phys. 62, 188 (1965), 10.1016/0029-5582(65)90862-X] that incorporates the pairing interaction. It is a schematic model that describes the interplay between particle-hole and pair correlations. It was proposed in the 1960s by D. Agassi as a model to simulate the properties of the quadrupole plus pairing model. Purpose: The aim of this work is to extend a previous study by Davis and Heiss [J. Phys. G: Nucl. Phys. 12, 805 (1986), 10.1088/0305-4616/12/9/006] generalizing the Agassi model and analyze in detail the phase diagram of the model as well as the different regions with coexistence of several phases. Method: We solve the model Hamiltonian through the Hartree-Fock-Bogoliubov (HFB) approximation, introducing two variational parameters that play the role of order parameters. We also compare the HFB calculations with the exact ones. Results: We obtain the phase diagram of the model and classify the order of the different quantum phase transitions appearing in the diagram. The phase diagram presents broad regions where several phases, up to three, coexist. Moreover, there is also a line and a point where four and five phases are degenerated, respectively. Conclusions: The phase diagram of the extended Agassi model presents a rich variety of phases. Phase coexistence is present in extended areas of the parameter space. The model could be an important tool for benchmarking novel many-body approximations.

Preliminary Two-Phase Terry Turbine Nozzle Models for RCIC Off-Design Operation Conditions

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

Zhao, Haihua; O'Brien, James

This report presents the effort to extend the single-phase analytical Terry turbine model to cover two-phase off-design conditions. The work includes: (1) adding well-established two-phase choking models – the Isentropic Homogenous Equilibrium Model (IHEM) and Moody’s model, and (2) theoretical development and implementation of a two-phase nozzle expansion model. The two choking models provide bounding cases for the two-phase choking mass flow rate. The new two-phase Terry turbine model uses the choking models to calculate the mass flow rate, the critical pressure at the nozzle throat, and steam quality. In the divergent stage, we only consider the vapor phase withmore » a similar model for the single-phase case by assuming that the liquid phase would slip along the wall with a much slower speed and will not contribute the impulse on the rotor. We also modify the stagnation conditions according to two-phase choking conditions at the throat and the cross-section areas for steam flow at the nozzle throat and at the nozzle exit. The new two-phase Terry turbine model was benchmarked with the same steam nozzle test as for the single-phase model. Better agreement with the experimental data is observed than from the single-phase model. We also repeated the Terry turbine nozzle benchmark work against the Sandia CFD simulation results with the two-phase model for the pure steam inlet nozzle case. The RCIC start-up tests were simulated and compared with the single-phase model. Similar results are obtained. Finally, we designed a new RCIC system test case to simulate the self-regulated Terry turbine behavior observed in Fukushima accidents. In this test, a period inlet condition for the steam quality varying from 1 to 0 is applied. For the high quality inlet period, the RCIC system behaves just like the normal operation condition with a high pump injection flow rate and a nominal steam release rate through the turbine, with the net addition of water to the primary system; for the low quality inlet period, the RCIC turbine shaft work dramatically decreases and results in a much reduced pump injection flow rate, and the mixture flow rate through the turbine increases due to the high liquid phase flow rate. The net effect for this period is net removal of coolant from the primary loop. With the periodic addition and removal of coolant to the primary loop, the self-regulation mode of the RCIC system can be maintained for a quite long time. Both the IHEM and Moody’s models generate similar phenomena; however noticeable differences can be observed.« less

Phase-field model for isothermal phase transitions in binary alloys

NASA Technical Reports Server (NTRS)

Wheeler, A. A.; Boettinger, W. J.; Mcfadden, G. B.

1992-01-01

A new phase field model is described which models isothermal phase transitions between ideal binary alloy solution phases. Equations are developed for the temporal and spatial variation of the phase field, which describes the identity of the phase, and of the composition. An asymptotic analysis, as the gradient energy coefficient of the phase field becomes small, was conducted. From the analysis, it is shown that the model recovers classical sharp interface models of this situation when the interfacial layers are thin, and they show how to relate the parameters appearing in the phase field model to material and growth parameters in real systems. Further, three stages of temporal evolution are identified: the first corresponding to interfacial genesis which occurs very rapidly; the second to interfacial motion controlled by the local energy difference across the interface and diffusion; the last taking place on a long time scale in which curvature effects are important and which correspond to Ostwald ripening. The results of the numerical calculations are presented.

Competition between Chaotic and Nonchaotic Phases in a Quadratically Coupled Sachdev-Ye-Kitaev Model.

PubMed

Chen, Xin; Fan, Ruihua; Chen, Yiming; Zhai, Hui; Zhang, Pengfei

2017-11-17

The Sachdev-Ye-Kitaev (SYK) model is a concrete solvable model to study non-Fermi liquid properties, holographic duality, and maximally chaotic behavior. In this work, we consider a generalization of the SYK model that contains two SYK models with a different number of Majorana modes coupled by quadratic terms. This model is also solvable, and the solution shows a zero-temperature quantum phase transition between two non-Fermi liquid chaotic phases. This phase transition is driven by tuning the ratio of two mode numbers, and a nonchaotic Fermi liquid sits at the critical point with an equal number of modes. At a finite temperature, the Fermi liquid phase expands to a finite regime. More intriguingly, a different non-Fermi liquid phase emerges at a finite temperature. We characterize the phase diagram in terms of the spectral function, the Lyapunov exponent, and the entropy. Our results illustrate a concrete example of the quantum phase transition and critical behavior between two non-Fermi liquid phases.

Finite-deformation phase-field chemomechanics for multiphase, multicomponent solids

NASA Astrophysics Data System (ADS)

Svendsen, Bob; Shanthraj, Pratheek; Raabe, Dierk

2018-03-01

The purpose of this work is the development of a framework for the formulation of geometrically non-linear inelastic chemomechanical models for a mixture of multiple chemical components diffusing among multiple transforming solid phases. The focus here is on general model formulation. No specific model or application is pursued in this work. To this end, basic balance and constitutive relations from non-equilibrium thermodynamics and continuum mixture theory are combined with a phase-field-based description of multicomponent solid phases and their interfaces. Solid phase modeling is based in particular on a chemomechanical free energy and stress relaxation via the evolution of phase-specific concentration fields, order-parameter fields (e.g., related to chemical ordering, structural ordering, or defects), and local internal variables. At the mixture level, differences or contrasts in phase composition and phase local deformation in phase interface regions are treated as mixture internal variables. In this context, various phase interface models are considered. In the equilibrium limit, phase contrasts in composition and local deformation in the phase interface region are determined via bulk energy minimization. On the chemical side, the equilibrium limit of the current model formulation reduces to a multicomponent, multiphase, generalization of existing two-phase binary alloy interface equilibrium conditions (e.g., KKS). On the mechanical side, the equilibrium limit of one interface model considered represents a multiphase generalization of Reuss-Sachs conditions from mechanical homogenization theory. Analogously, other interface models considered represent generalizations of interface equilibrium conditions consistent with laminate and sharp-interface theory. In the last part of the work, selected existing models are formulated within the current framework as special cases and discussed in detail.

Comprehensive modeling of a liquid rocket combustion chamber

NASA Technical Reports Server (NTRS)

Liang, P.-Y.; Fisher, S.; Chang, Y. M.

1985-01-01

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

In vitro and in vivo antibacterial activities of cranberry press cake extracts alone or in combination with β-lactams against Staphylococcus aureus

PubMed Central

2013-01-01

Background Cranberry fruits possess many biological activities partly due to their various phenolic compounds; however the underlying modes of action are poorly understood. We studied the effect of cranberry fruit extracts on the gene expression of Staphylococcus aureus to identify specific cellular processes involved in the antibacterial action. Methods Transcriptional profiles of four S. aureus strains grown in broth supplemented or not with 2 mg/ml of a commercial cranberry preparation (Nutricran®90) were compared using DNA arrays to reveal gene modulations serving as markers for biological activity. Ethanol extracted pressed cakes from fresh fruits also produced various fractions and their effects on marker genes were demonstrated by qPCR. Minimal inhibitory concentrations (MICs) of the most effective cranberry fraction (FC111) were determined against multiple S. aureus strains and drug interactions with β-lactam antibiotics were also evaluated. Incorporation assays with [3H]-radiolabeled precursors were performed to evaluate the effect of FC111 on DNA, RNA, peptidoglycan (PG) and protein biosynthesis. Results Treatment of S. aureus with Nutricran®90 or FC111 revealed a transcriptional signature typical of PG-acting antibiotics (up-regulation of genes vraR/S, murZ, lytM, pbp2, sgtB, fmt). The effect of FC111 on PG was confirmed by the marked inhibition of incorporation of D-[3H]alanine. The combination of β-lactams and FC111 in checkerboard assays revealed a synergistic activity against S. aureus including strain MRSA COL, which showed a 512-fold drop of amoxicillin MIC in the presence of FC111 at MIC/8. Finally, a therapeutic proof of concept was established in a mouse mastitis model of infection. S. aureus-infected mammary glands were treated with amoxicillin, FC111 or a combination of both; only the combination significantly reduced bacterial counts from infected glands (P<0.05) compared to the untreated mice. Conclusions The cranberry fraction FC111 affects PG synthesis of S. aureus and acts in synergy with β-lactam antibiotics. Such a fraction easily obtained from poorly exploited press-cake residues, may find interesting applications in the agri-food sector and help reduce antibiotic usage in animal food production. PMID:23622254

New Baxter phase in the Ashkin-Teller model on a cubic lattice

NASA Astrophysics Data System (ADS)

Santos, J. P.; Rosa, D. S.; Sá Barreto, F. C.

2018-02-01

The mean field theory results are obtained from the Bogoliubov inequality for the spin-1/2 Ashkin-Teller model on a cubic lattice for different cluster sizes. The phase diagram, magnetization and free energy are obtained. From those expressions we observed a new phase in the model. Denoted in the course of this work by Baxter(2) this new phase presents 〈 S 〉 ≠ 〈 σ 〉 ≠ 0. The phase transitions between the Baxter(2) and the others well known phases for the model are studied and classified.

Study on stress-strain response of multi-phase TRIP steel under cyclic loading

NASA Astrophysics Data System (ADS)

Dan, W. J.; Hu, Z. G.; Zhang, W. G.; Li, S. H.; Lin, Z. Q.

2013-12-01

The stress-strain response of multi-phase TRIP590 sheet steel is studied in cyclic loading condition at room temperature based on a cyclic phase transformation model and a multi-phase mixed kinematic hardening model. The cyclic martensite transformation model is proposed based on the shear-band intersection, where the repeat number, strain amplitude and cyclic frequency are used to control the phase transformation process. The multi-phase mixed kinematic hardening model is developed based on the non-linear kinematic hardening rule of per-phase. The parameters of transformation model are identified with the relationship between the austenite volume fraction and the repeat number. The parameters in Kinematic hardening model are confirmed by the experimental hysteresis loops in different strain amplitude conditions. The responses of hysteresis loop and stress amplitude are evaluated by tension-compression data.

The modelling of heat, mass and solute transport in solidification systems

NASA Technical Reports Server (NTRS)

Voller, V. R.; Brent, A. D.; Prakash, C.

1989-01-01

The aim of this paper is to explore the range of possible one-phase models of binary alloy solidification. Starting from a general two-phase description, based on the two-fluid model, three limiting cases are identified which result in one-phase models of binary systems. Each of these models can be readily implemented in standard single phase flow numerical codes. Differences between predictions from these models are examined. In particular, the effects of the models on the predicted macro-segregation patterns are evaluated.

Nonequilibrium Phase Transition in a Model for Social Influence

NASA Astrophysics Data System (ADS)

Castellano, Claudio; Marsili, Matteo; Vespignani, Alessandro

2000-10-01

We present extensive numerical simulations of the Axelrod's model for social influence, aimed at understanding the formation of cultural domains. This is a nonequilibrium model with short range interactions and a remarkably rich dynamical behavior. We study the phase diagram of the model and uncover a nonequilibrium phase transition separating an ordered (culturally polarized) phase from a disordered (culturally fragmented) one. The nature of the phase transition can be continuous or discontinuous depending on the model parameters. At the transition, the size of cultural regions is power-law distributed.

Critical Behavior of Spatial Evolutionary Game with Altruistic to Spiteful Preferences on Two-Dimensional Lattices

NASA Astrophysics Data System (ADS)

Yang, Bo; Li, Xiao-Teng; Chen, Wei; Liu, Jian; Chen, Xiao-Song

2016-10-01

Self-questioning mechanism which is similar to single spin-flip of Ising model in statistical physics is introduced into spatial evolutionary game model. We propose a game model with altruistic to spiteful preferences via weighted sums of own and opponent's payoffs. This game model can be transformed into Ising model with an external field. Both interaction between spins and the external field are determined by the elements of payoff matrix and the preference parameter. In the case of perfect rationality at zero social temperature, this game model has three different phases which are entirely cooperative phase, entirely non-cooperative phase and mixed phase. In the investigations of the game model with Monte Carlo simulation, two paths of payoff and preference parameters are taken. In one path, the system undergoes a discontinuous transition from cooperative phase to non-cooperative phase with the change of preference parameter. In another path, two continuous transitions appear one after another when system changes from cooperative phase to non-cooperative phase with the prefenrence parameter. The critical exponents v, β, and γ of two continuous phase transitions are estimated by the finite-size scaling analysis. Both continuous phase transitions have the same critical exponents and they belong to the same universality class as the two-dimensional Ising model. Supported by the National Natural Science Foundation of China under Grant Nos. 11121403 and 11504384

Phase-Field Modeling of Sigma-Phase Precipitation in 25Cr7Ni4Mo Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Malik, Amer; Odqvist, Joakim; Höglund, Lars; Hertzman, Staffan; Ågren, John

2017-10-01

Phase-field modeling is used to simulate the formation of sigma phase in a model alloy mimicking a commercial super duplex stainless steel (SDSS) alloy, in order to study precipitation and growth of sigma phase under linear continuous cooling. The so-called Warren-Boettinger-McFadden (WBM) model is used to build the basis of the multiphase and multicomponent phase-field model. The thermodynamic inconsistency at the multiple junctions associated with the multiphase formulation of the WBM model is resolved by means of a numerical Cut-off algorithm. To make realistic simulations, all the kinetic and the thermodynamic quantities are derived from the CALPHAD databases at each numerical time step, using Thermo-Calc and TQ-Interface. The credibility of the phase-field model is verified by comparing the results from the phase-field simulations with the corresponding DICTRA simulations and also with the empirical data. 2D phase-field simulations are performed for three different cooling rates in two different initial microstructures. A simple model for the nucleation of sigma phase is also implemented in the first case. Simulation results show that the precipitation of sigma phase is characterized by the accumulation of Cr and Mo at the austenite-ferrite and the ferrite-ferrite boundaries. Moreover, it is observed that a slow cooling rate promotes the growth of sigma phase, while a higher cooling rate restricts it, eventually preserving the duplex structure in the SDSS alloy. Results from the phase-field simulations are also compared quantitatively with the experiments, performed on a commercial 2507 SDSS alloy. It is found that overall, the predicted morphological features of the transformation and the composition profiles show good conformity with the empirical data.

Modeling Ductile-Phase Toughened Tungsten for Plasma-Facing Materials: Progress in Damage Finite Element Analysis of the Tungsten-Copper Bend Bar Tests

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

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

The objective of this study is to investigate the deformation behavior of ductile phase toughened W-composites such as W-Cu and W-Ni-Fe by means of a multiscale finite element model that involves a microstructural dual-phase model where the constituent phases (i.e., W, Cu, Ni-Fe) are finely discretized and are described by a continuum damage model. Such a model is suitable for modeling deformation, cracking, and crack bridging for W-Cu, W-Ni-Fe, and other ductile phase toughened W-composites, or more generally, any multi-phase composite structure where two or more phases undergo cooperative deformation in a composite system. Our current work focuses on simulatingmore » the response and damage development of the W-Cu specimen subjected to three-point bending.« less

Multi-phase-field modeling of anisotropic crack propagation for polycrystalline materials

NASA Astrophysics Data System (ADS)

Nguyen, Thanh-Tung; Réthoré, Julien; Yvonnet, Julien; Baietto, Marie-Christine

2017-08-01

A new multi-phase-field method is developed for modeling the fracture of polycrystals at the microstructural level. Inter and transgranular cracking, as well as anisotropic effects of both elasticity and preferential cleavage directions within each randomly oriented crystal are taken into account. For this purpose, the proposed phase field formulation includes: (a) a smeared description of grain boundaries as cohesive zones avoiding defining an additional phase for grains; (b) an anisotropic phase field model; (c) a multi-phase field formulation where each preferential cleavage direction is associated with a damage (phase field) variable. The obtained framework allows modeling interactions and competition between grains and grain boundary cracks, as well as their effects on the effective response of the material. The proposed model is illustrated through several numerical examples involving a full description of complex crack initiation and propagation within 2D and 3D models of polycrystals.

Impact of Three-Phase Relative Permeability and Hysteresis Models on Forecasts of Storage Associated With CO2-EOR

NASA Astrophysics Data System (ADS)

Jia, Wei; McPherson, Brian; Pan, Feng; Dai, Zhenxue; Moodie, Nathan; Xiao, Ting

2018-02-01

Geological CO2 sequestration in conjunction with enhanced oil recovery (CO2-EOR) includes complex multiphase flow processes compared to CO2 storage in deep saline aquifers. Two of the most important factors affecting multiphase flow in CO2-EOR are three-phase relative permeability and associated hysteresis, both of which are difficult to measure and are usually represented by numerical interpolation models. The purpose of this study is to improve understanding of (1) the relative impacts of different three-phase relative permeability models and hysteresis models on CO2 trapping mechanisms, and (2) uncertainty associated with these two factors. Four different three-phase relative permeability models and three hysteresis models were applied to simulations of an active CO2-EOR site, the SACROC unit located in western Texas. To eliminate possible bias of deterministic parameters, we utilized a sequential Gaussian simulation technique to generate 50 realizations to describe heterogeneity of porosity and permeability, based on data obtained from well logs and seismic survey. Simulation results of forecasted CO2 storage suggested that (1) the choice of three-phase relative permeability model and hysteresis model led to noticeable impacts on forecasted CO2 sequestration capacity; (2) impacts of three-phase relative permeability models and hysteresis models on CO2 trapping are small during the CO2-EOR injection period, and increase during the post-EOR CO2 injection period; (3) the specific choice of hysteresis model is more important relative to the choice of three-phase relative permeability model; and (4) using the recommended three-phase WAG (Water-Alternating-Gas) hysteresis model may increase the impact of three-phase relative permeability models and uncertainty due to heterogeneity.

Modeling of Liquid Steel/Slag/Argon Gas Multiphase Flow During Tundish Open Eye Formation in a Two-Strand Tundish

NASA Astrophysics Data System (ADS)

Chatterjee, Saikat; Li, Donghui; Chattopadhyay, Kinnor

2018-04-01

Multiphase flows are frequently encountered in metallurgical operations. One of the most effective ways to understand these processes is by flow modeling. The process of tundish open eye (TOE) formation involves three-phase interaction between liquid steel, slag, and argon gas. The two-phase interaction involving argon gas bubbles and liquid steel can be modeled relatively easily using the discrete phase modeling technique. However, the effect of an upper slag layer cannot be captured using this approach. The presence of an upper buoyant phase can have a major effect on the behavior of TOEs. Hence, a multiphase model, including three phases, viz. liquid steel, slag, and argon gas, in a two-strand slab caster tundish, was developed to study the formation and evolution of TOEs. The volume of fluid model was used to track the interphase between liquid steel and slag phases, while the discrete phase model was used to trace the movement of the argon gas bubbles in liquid steel. The variation in the TOE areas with different amounts of aspirated argon gas was examined in the presence of an overlying slag phase. The mathematical model predictions were compared against steel plant measurements.

Streamline Your Project: A Lifecycle Model.

ERIC Educational Resources Information Center

Viren, John

2000-01-01

Discusses one approach to project organization providing a baseline lifecycle model for multimedia/CBT development. This variation of the standard four-phase model of Analysis, Design, Development, and Implementation includes a Pre-Analysis phase, called Definition, and a Post-Implementation phase, known as Maintenance. Each phase is described.…

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

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

Hu, Wenjian; Singh, Rajiv R. P.; Scalettar, Richard T.

Here, we apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models - the square and triangular-lattice Ising models, the Blume-Capel model, a highly degenerate biquadratic-exchange spin-one Ising (BSI) model, and the 2D XY model, and examine critically what machine learning is teaching us. We find that quantified principal components from PCA not only allow exploration of different phases and symmetry-breaking, but can distinguish phase transition types and locate critical points. We show that the corresponding weight vectors have a clear physical interpretation, which ismore » particularly interesting in the frustrated models such as the triangular antiferromagnet, where they can point to incipient orders. Unlike the other well-studied models, the properties of the BSI model are less well known. Using both PCA and conventional Monte Carlo analysis, we demonstrate that the BSI model shows an absence of phase transition and macroscopic ground-state degeneracy. The failure to capture the 'charge' correlations (vorticity) in the BSI model (XY model) from raw spin configurations points to some of the limitations of PCA. Finally, we employ a nonlinear unsupervised machine learning procedure, the 'antoencoder method', and demonstrate that it too can be trained to capture phase transitions and critical points.« less

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

DOE PAGES

Hu, Wenjian; Singh, Rajiv R. P.; Scalettar, Richard T.

2017-06-19

Here, we apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models - the square and triangular-lattice Ising models, the Blume-Capel model, a highly degenerate biquadratic-exchange spin-one Ising (BSI) model, and the 2D XY model, and examine critically what machine learning is teaching us. We find that quantified principal components from PCA not only allow exploration of different phases and symmetry-breaking, but can distinguish phase transition types and locate critical points. We show that the corresponding weight vectors have a clear physical interpretation, which ismore » particularly interesting in the frustrated models such as the triangular antiferromagnet, where they can point to incipient orders. Unlike the other well-studied models, the properties of the BSI model are less well known. Using both PCA and conventional Monte Carlo analysis, we demonstrate that the BSI model shows an absence of phase transition and macroscopic ground-state degeneracy. The failure to capture the 'charge' correlations (vorticity) in the BSI model (XY model) from raw spin configurations points to some of the limitations of PCA. Finally, we employ a nonlinear unsupervised machine learning procedure, the 'antoencoder method', and demonstrate that it too can be trained to capture phase transitions and critical points.« less

Influence of the choice of gas-phase mechanism on predictions of key gaseous pollutants during the AQMEII phase-2 intercomparison

EPA Science Inventory

The formulations of tropospheric gas-phase chemistry (“mechanisms”)used in the regional-scale chemistry-transport models participating in theAir Quality Modelling Evaluation International Initiative (AQMEII) Phase2 are intercompared by the means of box model studies. Simulations ...

PRELIMINARY PROGRESS IN THE DEVELOPMENT OF DUCTILE-PHASE TOUGHENED TUNGSTEN FOR PLASMA-FACING MATERIALS: DUAL-PHASE FINITE ELEMENT DAMAGE MODELS

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

Henager, Charles H.; Nguyen, Ba Nghiep; Kurtz, Richard J.

The objective of this study is to develop a finite element continuum damage model suitable for modeling deformation, cracking, and crack bridging for W-Cu, W-Ni-Fe, and other ductile phase toughened W-composites, or more generally, any multi-phase composite structure where two or more phases undergo cooperative deformation in a composite system.

A Methodology for Phased Array Radar Threshold Modeling Using the Advanced Propagation Model (APM)

DTIC Science & Technology

2017-10-01

TECHNICAL REPORT 3079 October 2017 A Methodology for Phased Array Radar Threshold Modeling Using the Advanced Propagation Model (APM...Head 55190 Networks Division iii EXECUTIVE SUMMARY This report summarizes the methodology developed to improve the radar threshold modeling...PHASED ARRAY RADAR CONFIGURATION ..................................................................... 1 3. METHODOLOGY

Temperature Responses to Spectral Solar Variability on Decadal Time Scales

NASA Technical Reports Server (NTRS)

Cahalan, Robert F.; Wen, Guoyong; Harder, Jerald W.; Pilewskie, Peter

2010-01-01

Two scenarios of spectral solar forcing, namely Spectral Irradiance Monitor (SIM)-based out-of-phase variations and conventional in-phase variations, are input to a time-dependent radiative-convective model (RCM), and to the GISS modelE. Both scenarios and models give maximum temperature responses in the upper stratosphere, decreasing to the surface. Upper stratospheric peak-to-peak responses to out-of-phase forcing are approx.0.6 K and approx.0.9 K in RCM and modelE, approx.5 times larger than responses to in-phase forcing. Stratospheric responses are in-phase with TSI and UV variations, and resemble HALOE observed 11-year temperature variations. For in-phase forcing, ocean mixed layer response lags surface air response by approx.2 years, and is approx.0.06 K compared to approx.0.14 K for atmosphere. For out-of-phase forcing, lags are similar, but surface responses are significantly smaller. For both scenarios, modelE surface responses are less than 0.1 K in the tropics, and display similar patterns over oceanic regions, but complex responses over land.

Phase diagram of quantum critical system via local convertibility of ground state

PubMed Central

Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

2016-01-01

We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models. PMID:27381284

Force-induced desorption of 3-star polymers: a self-avoiding walk model

NASA Astrophysics Data System (ADS)

Janse van Rensburg, E. J.; Whittington, S. G.

2018-05-01

We consider a simple cubic lattice self-avoiding walk model of 3-star polymers adsorbed at a surface and then desorbed by pulling with an externally applied force. We determine rigorously the free energy of the model in terms of properties of a self-avoiding walk, and show that the phase diagram includes four phases, namely a ballistic phase where the extension normal to the surface is linear in the length, an adsorbed phase and a mixed phase, in addition to the free phase where the model is neither adsorbed nor ballistic. In the adsorbed phase all three branches or arms of the star are adsorbed at the surface. In the ballistic phase two arms of the star are pulled into a ballistic phase, while the remaining arm is in a free phase. In the mixed phase two arms in the star are adsorbed while the third arm is ballistic. The phase boundaries separating the ballistic and mixed phases, and the adsorbed and mixed phases, are both first order phase transitions. The presence of the mixed phase is interesting because it does not occur for pulled, adsorbed self-avoiding walks. In an atomic force microscopy experiment it would appear as an additional phase transition as a function of force.

Laser Atmospheric Wind Sounder (LAWS) phase 1. Volume 3: Project cost estimates

NASA Technical Reports Server (NTRS)

1990-01-01

The laser atmospheric wind sounder (LAWS) cost modeling activities were initiated in phase 1 to establish the ground rules and cost model that would apply to both phase 1 and phase 2 cost analyses. The primary emphasis in phase 1 was development of a cost model for a LAWS instrument for the Japanese Polar Orbiting Platform (JPOP). However, the Space Station application was also addressed in this model, and elements were included, where necessary, to account for Space Station unique items. The cost model presented in the following sections defines the framework for all LAWS cost modeling. The model is consistent with currently available detail, and can be extended to account for greater detail as the project definition progresses.

Symmetry breaking in tensor models

NASA Astrophysics Data System (ADS)

Benedetti, Dario; Gurau, Razvan

2015-11-01

In this paper we analyze a quartic tensor model with one interaction for a tensor of arbitrary rank. This model has a critical point where a continuous limit of infinitely refined random geometries is reached. We show that the critical point corresponds to a phase transition in the tensor model associated to a breaking of the unitary symmetry. We analyze the model in the two phases and prove that, in a double scaling limit, the symmetric phase corresponds to a theory of infinitely refined random surfaces, while the broken phase corresponds to a theory of infinitely refined random nodal surfaces. At leading order in the double scaling limit planar surfaces dominate in the symmetric phase, and planar nodal surfaces dominate in the broken phase.

Scale-freeness or partial synchronization in neural mass phase oscillator networks: Pick one of two?

PubMed

Daffertshofer, Andreas; Ton, Robert; Pietras, Bastian; Kringelbach, Morten L; Deco, Gustavo

2018-04-04

Modeling and interpreting (partial) synchronous neural activity can be a challenge. We illustrate this by deriving the phase dynamics of two seminal neural mass models: the Wilson-Cowan firing rate model and the voltage-based Freeman model. We established that the phase dynamics of these models differed qualitatively due to an attractive coupling in the first and a repulsive coupling in the latter. Using empirical structural connectivity matrices, we determined that the two dynamics cover the functional connectivity observed in resting state activity. We further searched for two pivotal dynamical features that have been reported in many experimental studies: (1) a partial phase synchrony with a possibility of a transition towards either a desynchronized or a (fully) synchronized state; (2) long-term autocorrelations indicative of a scale-free temporal dynamics of phase synchronization. Only the Freeman phase model exhibited scale-free behavior. Its repulsive coupling, however, let the individual phases disperse and did not allow for a transition into a synchronized state. The Wilson-Cowan phase model, by contrast, could switch into a (partially) synchronized state, but it did not generate long-term correlations although being located close to the onset of synchronization, i.e. in its critical regime. That is, the phase-reduced models can display one of the two dynamical features, but not both. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

TREAT Modeling and Simulation Strategy

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

DeHart, Mark David

2015-09-01

This report summarizes a four-phase process used to describe the strategy in developing modeling and simulation software for the Transient Reactor Test Facility. The four phases of this research and development task are identified as (1) full core transient calculations with feedback, (2) experiment modeling, (3) full core plus experiment simulation and (4) quality assurance. The document describes the four phases, the relationship between these research phases, and anticipated needs within each phase.

The phase model of burnout and employee turnover.

PubMed

Goodman, Eric A; Boss, R Wayne

2002-01-01

This study explores the phase model of burnout and investigates its relationship to actual turnover in a hospital. The results indicate that employees who turnover have significantly higher burnout phase scores that those who stay in the organization. A further comparison of voluntary and involuntary turnover demonstrates that there is no significant differences on burnout phase scores. The findings lend support to the usefulness of the phase model of burnout.

Phase velocity in 2D TTI media

NASA Astrophysics Data System (ADS)

Xuan, Yihua; He, Qiaodeng; Lin, Yan

2007-03-01

We derive an expression for phase velocity in 2D tilted transverse isotropy (TTI) media. Snapshots of phase velocity in TTI and transverse isotropy (TI) model media are simulated and analyzed using the derived expression. In addition, the x-component character differences between the modeled phase velocities of the two media models are compared and analyzed.

Probabilistic physical characteristics of phase transitions at highway bottlenecks: incommensurability of three-phase and two-phase traffic-flow theories.

PubMed

Kerner, Boris S; Klenov, Sergey L; Schreckenberg, Michael

2014-05-01

Physical features of induced phase transitions in a metastable free flow at an on-ramp bottleneck in three-phase and two-phase cellular automaton (CA) traffic-flow models have been revealed. It turns out that at given flow rates at the bottleneck, to induce a moving jam (F → J transition) in the metastable free flow through the application of a time-limited on-ramp inflow impulse, in both two-phase and three-phase CA models the same critical amplitude of the impulse is required. If a smaller impulse than this critical one is applied, neither F → J transition nor other phase transitions can occur in the two-phase CA model. We have found that in contrast with the two-phase CA model, in the three-phase CA model, if the same smaller impulse is applied, then a phase transition from free flow to synchronized flow (F → S transition) can be induced at the bottleneck. This explains why rather than the F → J transition, in the three-phase theory traffic breakdown at a highway bottleneck is governed by an F → S transition, as observed in real measured traffic data. None of two-phase traffic-flow theories incorporates an F → S transition in a metastable free flow at the bottleneck that is the main feature of the three-phase theory. On the one hand, this shows the incommensurability of three-phase and two-phase traffic-flow theories. On the other hand, this clarifies why none of the two-phase traffic-flow theories can explain the set of fundamental empirical features of traffic breakdown at highway bottlenecks.

Phase 1 Free Air CO2 Enrichment Model-Data Synthesis (FACE-MDS): Model Output Data (2015)

DOE Data Explorer

Walker, A. P.; De Kauwe, M. G.; Medlyn, B. E.; Zaehle, S.; Asao, S.; Dietze, M.; El-Masri, B.; Hanson, P. J.; Hickler, T.; Jain, A.; Luo, Y.; Parton, W. J.; Prentice, I. C.; Ricciuto, D. M.; Thornton, P. E.; Wang, S.; Wang, Y -P; Warlind, D.; Weng, E.; Oren, R.; Norby, R. J.

2015-01-01

These datasets comprise the model output from phase 1 of the FACE-MDS. These include simulations of the Duke and Oak Ridge experiments and also idealised long-term (300 year) simulations at both sites (please see the modelling protocol for details). Included as part of this dataset are modelling and output protocols. The model datasets are formatted according to the output protocols. Phase 1 datasets are reproduced here for posterity and reproducibility although the model output for the experimental period have been somewhat superseded by the Phase 2 datasets.

Stochastic Kuramoto oscillators with discrete phase states.

PubMed

Jörg, David J

2017-09-01

We present a generalization of the Kuramoto phase oscillator model in which phases advance in discrete phase increments through Poisson processes, rendering both intrinsic oscillations and coupling inherently stochastic. We study the effects of phase discretization on the synchronization and precision properties of the coupled system both analytically and numerically. Remarkably, many key observables such as the steady-state synchrony and the quality of oscillations show distinct extrema while converging to the classical Kuramoto model in the limit of a continuous phase. The phase-discretized model provides a general framework for coupled oscillations in a Markov chain setting.

Stochastic Kuramoto oscillators with discrete phase states

NASA Astrophysics Data System (ADS)

Jörg, David J.

2017-09-01

We present a generalization of the Kuramoto phase oscillator model in which phases advance in discrete phase increments through Poisson processes, rendering both intrinsic oscillations and coupling inherently stochastic. We study the effects of phase discretization on the synchronization and precision properties of the coupled system both analytically and numerically. Remarkably, many key observables such as the steady-state synchrony and the quality of oscillations show distinct extrema while converging to the classical Kuramoto model in the limit of a continuous phase. The phase-discretized model provides a general framework for coupled oscillations in a Markov chain setting.

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

NASA Astrophysics Data System (ADS)

Hu, Wenjian; Singh, Rajiv R. P.; Scalettar, Richard T.

2017-06-01

We apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models—the square- and triangular-lattice Ising models, the Blume-Capel model, a highly degenerate biquadratic-exchange spin-1 Ising (BSI) model, and the two-dimensional X Y model—and we examine critically what machine learning is teaching us. We find that quantified principal components from PCA not only allow the exploration of different phases and symmetry-breaking, but they can distinguish phase-transition types and locate critical points. We show that the corresponding weight vectors have a clear physical interpretation, which is particularly interesting in the frustrated models such as the triangular antiferromagnet, where they can point to incipient orders. Unlike the other well-studied models, the properties of the BSI model are less well known. Using both PCA and conventional Monte Carlo analysis, we demonstrate that the BSI model shows an absence of phase transition and macroscopic ground-state degeneracy. The failure to capture the "charge" correlations (vorticity) in the BSI model (X Y model) from raw spin configurations points to some of the limitations of PCA. Finally, we employ a nonlinear unsupervised machine learning procedure, the "autoencoder method," and we demonstrate that it too can be trained to capture phase transitions and critical points.

Employment, Production and Consumption model: Patterns of phase transitions

NASA Astrophysics Data System (ADS)

Lavička, H.; Lin, L.; Novotný, J.

2010-04-01

We have simulated the model of Employment, Production and Consumption (EPC) using Monte Carlo. The EPC model is an agent based model that mimics very basic rules of industrial economy. From the perspective of physics, the nature of the interactions in the EPC model represents multi-agent interactions where the relations among agents follow the key laws for circulation of capital and money. Monte Carlo simulations of the stochastic model reveal phase transition in the model economy. The two phases are the phase with full unemployment and the phase with nearly full employment. The economy switches between these two states suddenly as a reaction to a slight variation in the exogenous parameter, thus the system exhibits strong non-linear behavior as a response to the change of the exogenous parameters.

Development of Novel PEM Membrane and Multiphase CD Modeling of PEM Fuel Cell

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

K. J. Berry; Susanta Das

2009-12-30

To understand heat and water management phenomena better within an operational proton exchange membrane fuel cell's (PEMFC) conditions, a three-dimensional, two-phase computational fluid dynamic (CFD) flow model has been developed and simulated for a complete PEMFC. Both liquid and gas phases are considered in the model by taking into account the gas flow, diffusion, charge transfer, change of phase, electro-osmosis, and electrochemical reactions to understand the overall dynamic behaviors of species within an operating PEMFC. The CFD model is solved numerically under different parametric conditions in terms of water management issues in order to improve cell performance. The results obtainedmore » from the CFD two-phase flow model simulations show improvement in cell performance as well as water management under PEMFCs operational conditions as compared to the results of a single phase flow model available in the literature. The quantitative information obtained from the two-phase model simulation results helped to develop a CFD control algorithm for low temperature PEM fuel cell stacks which opens up a route in designing improvement of PEMFC for better operational efficiency and performance. To understand heat and water management phenomena better within an operational proton exchange membrane fuel cell's (PEMFC) conditions, a three-dimensional, two-phase computational fluid dynamic (CFD) flow model has been developed and simulated for a complete PEMFC. Both liquid and gas phases are considered in the model by taking into account the gas flow, diffusion, charge transfer, change of phase, electro-osmosis, and electrochemical reactions to understand the overall dynamic behaviors of species within an operating PEMFC. The CFD model is solved numerically under different parametric conditions in terms of water management issues in order to improve cell performance. The results obtained from the CFD two-phase flow model simulations show improvement in cell performance as well as water management under PEMFCs operational conditions as compared to the results of a single phase flow model available in the literature. The quantitative information obtained from the two-phase model simulation results helped to develop a CFD control algorithm for low temperature PEM fuel cell stacks which opens up a route in designing improvement of PEMFC for better operational efficiency and performance.« less

The Co-Sb-Ga System: Isoplethal Section and Thermodynamic Modeling

NASA Astrophysics Data System (ADS)

Gierlotka, Wojciech; Chen, Sinn-wen; Chen, Wei-an; Chang, Jui-shen; Snyder, G. Jeffrey; Tang, Yinglu

2015-04-01

The Co-Sb-Ga ternary system is an important thermoelectric material system, and its phase equilibria are in need of further understanding. The CoSb3-GaSb isoplethal section is experimentally determined in this study. Phase equilibria of the ternary Co-Sb-Ga system are assessed, and the system's thermodynamic models are developed. In addition to the terminal phases and liquid phase, there are six binary intermediate phases and a ternary Co3Sb2Ga4 phase. The Ga solution in the CoSb3 compound is described by a dual-site occupation (GaVF) x Co4Sb12- x/2(GaSb) x/2 model. Phase diagrams are calculated using the developed thermodynamic models, and a reaction scheme is proposed based on the calculation results. The calculated results are in good agreement with the experimentally determined phase diagrams, including the CoSb3-GaSb isoplethal section, the liquidus projection, and an isothermal section at 923 K (650 °C). The dual-site occupation (GaVF) x Co4Sb12- x/2(GaSb) x/2 model gives good descriptions of both phase equilibria and thermoelectric properties of the CoSb3 phase with Ga doping.

Binocular combination of phase and contrast explained by a gain-control and gain-enhancement model

PubMed Central

Ding, Jian; Klein, Stanley A.; Levi, Dennis M.

2013-01-01

We investigated suprathreshold binocular combination, measuring both the perceived phase and perceived contrast of a cyclopean sine wave. We used a paradigm adapted from Ding and Sperling (2006, 2007) to measure the perceived phase by indicating the apparent location (phase) of the dark trough in the horizontal cyclopean sine wave relative to a black horizontal reference line, and we used the same stimuli to measure perceived contrast by matching the binocular combined contrast to a standard contrast presented to one eye. We found that under normal viewing conditions (high contrast and long stimulus duration), perceived contrast is constant, independent of the interocular contrast ratio and the interocular phase difference, while the perceived phase shifts smoothly from one eye to the other eye depending on the contrast ratios. However, at low contrasts and short stimulus durations, binocular combination is more linear and contrast summation is phase-dependent. To account for phase-dependent contrast summation, we incorporated a fusion remapping mechanism into our model, using disparity energy to shift the monocular phases towards the cyclopean phase in order to align the two eyes' images through motor/sensory fusion. The Ding-Sperling model with motor/sensory fusion mechanism gives a reasonable account of the phase dependence of binocular contrast combination and can account for either the perceived phase or the perceived contrast of a cyclopean sine wave separately; however it requires different model parameters for the two. However, when fit to both phase and contrast data simultaneously, the Ding-Sperling model fails. Incorporating interocular gain enhancement into the model results in a significant improvement in fitting both phase and contrast data simultaneously, successfully accounting for both linear summation at low contrast energy and strong nonlinearity at high contrast energy. PMID:23397038

A novel mechanical model for phase-separation in debris flows

NASA Astrophysics Data System (ADS)

Pudasaini, Shiva P.

2015-04-01

Understanding the physics of phase-separation between solid and fluid phases as a two-phase mass moves down slope is a long-standing challenge. Here, I propose a fundamentally new mechanism, called 'separation-flux', that leads to strong phase-separation in avalanche and debris flows. This new model extends the general two-phase debris flow model (Pudasaini, 2012) to include a separation-flux mechanism. The new flux separation mechanism is capable of describing and controlling the dynamically evolving phase-separation, segregation, and/or levee formation in a real two-phase, geometrically three-dimensional debris flow motion and deposition. These are often observed phenomena in natural debris flows and industrial processes that involve the transportation of particulate solid-fluid mixture material. The novel separation-flux model includes several dominant physical and mechanical aspects that result in strong phase-separation (segregation). These include pressure gradients, volume fractions of solid and fluid phases and their gradients, shear-rates, flow depth, material friction, viscosity, material densities, boundary structures, gravity and topographic constraints, grain shape, size, etc. Due to the inherent separation mechanism, as the mass moves down slope, more and more solid particles are brought to the front, resulting in a solid-rich and mechanically strong frontal surge head followed by a weak tail largely consisting of the viscous fluid. The primary frontal surge head followed by secondary surge is the consequence of the phase-separation. Such typical and dominant phase-separation phenomena are revealed here for the first time in real two-phase debris flow modeling and simulations. However, these phenomena may depend on the bulk material composition and the applied forces. Reference: Pudasaini, Shiva P. (2012): A general two-phase debris flow model. J. Geophys. Res., 117, F03010, doi: 10.1029/2011JF002186.

Spin-one bilinear-biquadratic model on a star lattice

NASA Astrophysics Data System (ADS)

Lee, Hyun-Yong; Kawashima, Naoki

2018-05-01

We study the ground-state phase diagram of the S =1 bilinear-biquadratic model (BLBQ) on the star lattice with the state-of-art tensor network algorithms. The system has four phases: the ferromagnetic, antiferromagnetic, ferroquadrupolar, and spin-liquid phases. The phases and their phase boundaries are determined by examining various local observables, correlation functions, and transfer matrices exhaustively. The spin-liquid phase, which is the first quantum disordered phase found in the two-dimensional BLBQ model, is gapped and devoid of any conventional long-range order. It is also characterized by fixed-parity virtual bonds in the tensor network formalism, analogous to the Haldane phase, while the parity varies depending on the location of the bond.

Global quantum discord and quantum phase transition in XY model

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

Liu, Si-Yuan; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190; Zhang, Yu-Ran, E-mail: yrzhang@iphy.ac.cn

We study the relationship between the behavior of global quantum correlations and quantum phase transitions in XY model. We find that the two kinds of phase transitions in the studied model can be characterized by the features of global quantum discord (GQD) and the corresponding quantum correlations. We demonstrate that the maximum of the sum of all the nearest neighbor bipartite GQDs is effective and accurate for signaling the Ising quantum phase transition, in contrast, the sudden change of GQD is very suitable for characterizing another phase transition in the XY model. This may shed lights on the study ofmore » properties of quantum correlations in different quantum phases.« less

Analysis of Transformation Plasticity in Steel Using a Finite Element Method Coupled with a Phase Field Model

PubMed Central

Cho, Yi-Gil; Kim, Jin-You; Cho, Hoon-Hwe; Cha, Pil-Ryung; Suh, Dong-Woo; Lee, Jae Kon; Han, Heung Nam

2012-01-01

An implicit finite element model was developed to analyze the deformation behavior of low carbon steel during phase transformation. The finite element model was coupled hierarchically with a phase field model that could simulate the kinetics and micro-structural evolution during the austenite-to-ferrite transformation of low carbon steel. Thermo-elastic-plastic constitutive equations for each phase were adopted to confirm the transformation plasticity due to the weaker phase yielding that was proposed by Greenwood and Johnson. From the simulations under various possible plastic properties of each phase, a more quantitative understanding of the origin of transformation plasticity was attempted by a comparison with the experimental observation. PMID:22558295

Anomalous finite-size effect due to quasidegenerate phases in triangular antiferromagnets with long-range interactions and mapping to the generalized six-state clock model

NASA Astrophysics Data System (ADS)

Nishino, Masamichi; Miyashita, Seiji

2016-11-01

The effect of long-range (LR) interactions on frustrated-spin models is an interesting problem, which provides rich ordering processes. We study the effect of LR interactions on triangular Ising antiferromagnets with the next-nearest-neighbor ferromagnetic interaction (TIAFF). In the thermodynamic limit, the LRTIAFF model should reproduce the corresponding mean-field results, in which successive phase transitions occur among various phases, i.e., the disordered paramagnetic phase, so-called partially disordered phase, three-sublattice ferrimagnetic phase, and two-sublattice ferrimagnetic phase. In the present paper we focus on the magnetic susceptibility at the transition point between the two-sublattice ferrimagnetic and the disordered paramagnetic phases at relatively large ferromagnetic interactions. In the mean-field analysis, the magnetic susceptibility shows no divergence at the transition point. In contrast, a divergencelike enhancement of the susceptibility is observed in Monte Carlo simulations in finite-size systems. We investigate the origin of this difference and find that it is attributed to a virtual degeneracy of the free energies of the partially disordered and 2-FR phases. We also exploit a generalized six-state clock model with an LR interaction, which is a more general system with Z6 symmetry. We discuss the phase diagram of this model and find that it exhibits richer transition patterns and contains the physics of the LRTIAFF model.

Phase boundaries of power-law Anderson and Kondo models: A poor man's scaling study

NASA Astrophysics Data System (ADS)

Cheng, Mengxing; Chowdhury, Tathagata; Mohammed, Aaron; Ingersent, Kevin

2017-07-01

We use the poor man's scaling approach to study the phase boundaries of a pair of quantum impurity models featuring a power-law density of states ρ (ɛ ) ∝|ɛ| r , either vanishing (for r >0 ) or diverging (for r <0 ) at the Fermi energy ɛ =0 , that gives rise to quantum phase transitions between local-moment and Kondo-screened phases. For the Anderson model with a pseudogap (i.e., r >0 ), we find the phase boundary for (a) 0 1 , where the phases are separated by first-order quantum phase transitions that are accessible only for broken p-h symmetry. For the p-h-symmetric Kondo model with easy-axis or easy-plane anisotropy of the impurity-band spin exchange, the phase boundary and scaling trajectories are obtained for both r >0 and r <0 . Throughout the regime of weak-to-moderate impurity-band coupling in which poor man's scaling is expected to be valid, the approach predicts phase boundaries in excellent qualitative and good quantitative agreement with the nonperturbative numerical renormalization group, while also establishing the functional relations between model parameters along these boundaries.

The Pliocene Model Intercomparison Project - Phase 2

NASA Astrophysics Data System (ADS)

Haywood, Alan; Dowsett, Harry; Dolan, Aisling; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark; Hunter, Stephen; Lunt, Daniel; Pound, Matthew; Salzmann, Ulrich

2016-04-01

The Pliocene Model Intercomparison Project (PlioMIP) is a co-ordinated international climate modelling initiative to study and understand climate and environments of the Late Pliocene, and their potential relevance in the context of future climate change. PlioMIP examines the consistency of model predictions in simulating Pliocene climate, and their ability to reproduce climate signals preserved by geological climate archives. Here we provide a description of the aim and objectives of the next phase of the model intercomparison project (PlioMIP Phase 2), and we present the experimental design and boundary conditions that will be utilised for climate model experiments in Phase 2. Following on from PlioMIP Phase 1, Phase 2 will continue to be a mechanism for sampling structural uncertainty within climate models. However, Phase 1 demonstrated the requirement to better understand boundary condition uncertainties as well as uncertainty in the methodologies used for data-model comparison. Therefore, our strategy for Phase 2 is to utilise state-of-the-art boundary conditions that have emerged over the last 5 years. These include a new palaeogeographic reconstruction, detailing ocean bathymetry and land/ice surface topography. The ice surface topography is built upon the lessons learned from offline ice sheet modelling studies. Land surface cover has been enhanced by recent additions of Pliocene soils and lakes. Atmospheric reconstructions of palaeo-CO2 are emerging on orbital timescales and these are also incorporated into PlioMIP Phase 2. New records of surface and sea surface temperature change are being produced that will be more temporally consistent with the boundary conditions and forcings used within models. Finally we have designed a suite of prioritized experiments that tackle issues surrounding the basic understanding of the Pliocene and its relevance in the context of future climate change in a discrete way.

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

NASA Technical Reports Server (NTRS)

Provatas, Nikolas; Goldenfeld, Nigel; Dantzig, Jonathan A.

1999-01-01

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

Quaternion-valued single-phase model for three-phase power system

NASA Astrophysics Data System (ADS)

Gou, Xiaoming; Liu, Zhiwen; Liu, Wei; Xu, Yougen; Wang, Jiabin

2018-03-01

In this work, a quaternion-valued model is proposed in lieu of the Clarke's α, β transformation to convert three-phase quantities to a hypercomplex single-phase signal. The concatenated signal can be used for harmonic distortion detection in three-phase power systems. In particular, the proposed model maps all the harmonic frequencies into frequencies in the quaternion domain, while the Clarke's transformation-based methods will fail to detect the zero sequence voltages. Based on the quaternion-valued model, the Fourier transform, the minimum variance distortionless response (MVDR) algorithm and the multiple signal classification (MUSIC) algorithm are presented as examples to detect harmonic distortion. Simulations are provided to demonstrate the potentials of this new modeling method.

Modelling mortality and discharge of hospitalized stroke patients using a phase-type recovery model.

PubMed

Jones, Bruce; McClean, Sally; Stanford, David

2018-05-01

We model the length of in-patient hospital stays due to stroke and the mode of discharge using a phase-type stroke recovery model. The model allows for three different types of stroke: haemorrhagic (the most severe, caused by ruptured blood vessels that cause brain bleeding), cerebral infarction (less severe, caused by blood clots) and transient ischemic attack or TIA (the least severe, a mini-stroke caused by a temporary blood clot). A four-phase recovery process is used, where the initial phase depends on the type of stroke, and transition from one phase to the next depends on the age of the patient. There are three differing modes of absorption for this phase-type model: from a typical recovery phase, a patient may die (mode 1), be transferred to a nursing home (mode 2) or be discharged to the individual's usual residence (mode 3). The first recovery phase is characterized by a very high rate of mortality and very low rates of discharge by the other two modes. The next two recovery phases have progressively lower mortality rates and higher mode 2 and 3 discharge rates. The fourth recovery phase is visited only by those who experience a very mild TIA, and they are discharged to home after a short stay. The novelty of our approach to phase representation is two-fold: first, it aligns the phases with labelled diagnosis states, representing stages of illness severity; second, the model allows us to obtain expressions for Key Performance Indicators that are of use to healthcare professionals. This allows us to use a backward estimation process where we leverage the fact that we know the phase of admission (the diagnosis), but not which phases are subsequently entered or when this happens; this strategy improves both computational efficiency and accuracy. The model has clear practical value as it yields length of stay distributions by age and type of stroke, which are useful in resource planning. Also, inclusion of the three modes of discharge permits analyses of outcomes.

Well logging interpretation of production profile in horizontal oil-water two phase flow pipes

NASA Astrophysics Data System (ADS)

Zhai, Lu-Sheng; Jin, Ning-De; Gao, Zhong-Ke; Zheng, Xi-Ke

2012-03-01

Due to the complicated distribution of local velocity and local phase hold up along the radial direction of pipe in horizontal oil-water two phase flow, it is difficult to measure the total flow rate and phase volume fraction. In this study, we carried out dynamic experiment in horizontal oil-water two phases flow simulation well by using combination measurement system including turbine flowmeter with petal type concentrating diverter, conductance sensor and flowpassing capacitance sensor. According to the response resolution ability of the conductance and capacitance sensor in different range of total flow rate and water-cut, we use drift flux model and statistical model to predict the partial phase flow rate, respectively. The results indicate that the variable coefficient drift flux model can self-adaptively tone the model parameter according to the oil-water two phase flow characteristic, and the prediction result of partial phase flow rate of oil-water two phase flow is of high accuracy.

Thermal modeling with solid/liquid phase change of the thermal energy storage experiment

NASA Technical Reports Server (NTRS)

Skarda, J. Raymond Lee

1991-01-01

A thermal model which simulates combined conduction and phase change characteristics of thermal energy storage (TES) materials is presented. Both the model and results are presented for the purpose of benchmarking the conduction and phase change capabilities of recently developed and unvalidated microgravity TES computer programs. Specifically, operation of TES-1 is simulated. A two-dimensional SINDA85 model of the TES experiment in cylindrical coordinates was constructed. The phase change model accounts for latent heat stored in, or released from, a node undergoing melting and freezing.

Confirmation of model-based dose selection for a Japanese phase III study of rivaroxaban in non-valvular atrial fibrillation patients.

PubMed

Kaneko, Masato; Tanigawa, Takahiko; Hashizume, Kensei; Kajikawa, Mariko; Tajiri, Masahiro; Mueck, Wolfgang

2013-01-01

This study was designed to confirm the appropriateness of the dose setting for a Japanese phase III study of rivaroxaban in patients with non-valvular atrial fibrillation (NVAF), which had been based on model simulation employing phase II study data. The previously developed mixed-effects pharmacokinetic/pharmacodynamic (PK-PD) model, which consisted of an oral one-compartment model parameterized in terms of clearance, volume and a first-order absorption rate, was rebuilt and optimized using the data for 597 subjects from the Japanese phase III study, J-ROCKET AF. A mixed-effects modeling technique in NONMEM was used to quantify both unexplained inter-individual variability and inter-occasion variability, which are random effect parameters. The final PK and PK-PD models were evaluated to identify influential covariates. The empirical Bayes estimates of AUC and C(max) from the final PK model were consistent with the simulated results from the Japanese phase II study. There was no clear relationship between individual estimated exposures and safety-related events, and the estimated exposure levels were consistent with the global phase III data. Therefore, it was concluded that the dose selected for the phase III study with Japanese NVAF patients by means of model simulation employing phase II study data had been appropriate from the PK-PD perspective.

Fundamental incorporation of the density change during melting of a confined phase change material

NASA Astrophysics Data System (ADS)

Hernández, Ernesto M.; Otero, José A.

2018-02-01

The modeling of thermal diffusion processes taking place in a phase change material presents a challenge when the dynamics of the phase transition is coupled to the mechanical properties of the container. Thermo-mechanical models have been developed by several authors, however, it will be shown that these models only explain the phase transition dynamics at low pressures when the density of each phase experiences negligible changes. In our proposal, a new energy-mass balance equation at the interface is derived and found to be a consequence of mass conservation. The density change experienced in each phase is predicted by the proposed formulation of the problem. Numerical and semi-analytical solutions to the proposed model are presented for an example on a high temperature phase change material. The solutions to the models presented by other authors are observed to be well-behaved close to the isobaric limit. However, compared to the results obtained from our model, the change in the fusion temperature, latent heat, and absolute pressure is found to be greatly overestimated by other proposals when the phase transition is studied close to the isochoric regime.

LOW ACTIVATION JOINING OF SIC/SIC COMPOSITES FOR FUSION APPLICATIONS: MODELING DUAL-PHASE MICROSTRUCTURES AND DISSIMILAR MATERIAL JOINTS

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

Henager, Charles H.; Nguyen, Ba Nghiep; Kurtz, Richard J.

2016-03-31

Finite element continuum damage models (FE-CDM) have been developed to simulate and model dual-phase joints and cracked joints for improved analysis of SiC materials in nuclear environments. This report extends the analysis from the last reporting cycle by including results from dual-phase models and from cracked joint models.

The Secondary Organic Aerosol Processor (SOAP v1.0) model: a unified model with different ranges of complexity based on the molecular surrogate approach

NASA Astrophysics Data System (ADS)

Couvidat, F.; Sartelet, K.

2014-01-01

The Secondary Organic Aerosol Processor (SOAP v1.0) model is presented. This model is designed to be modular with different user options depending on the computing time and the complexity required by the user. This model is based on the molecular surrogate approach, in which each surrogate compound is associated with a molecular structure to estimate some properties and parameters (hygroscopicity, absorption on the aqueous phase of particles, activity coefficients, phase separation). Each surrogate can be hydrophilic (condenses only on the aqueous phase of particles), hydrophobic (condenses only on the organic phase of particles) or both (condenses on both the aqueous and the organic phases of particles). Activity coefficients are computed with the UNIFAC thermodynamic model for short-range interactions and with the AIOMFAC parameterization for medium and long-range interactions between electrolytes and organic compounds. Phase separation is determined by Gibbs energy minimization. The user can choose between an equilibrium and a dynamic representation of the organic aerosol. In the equilibrium representation, compounds in the particle phase are assumed to be at equilibrium with the gas phase. However, recent studies show that the organic aerosol (OA) is not at equilibrium with the gas phase because the organic phase could be semi-solid (very viscous liquid phase). The condensation or evaporation of organic compounds could then be limited by the diffusion in the organic phase due to the high viscosity. A dynamic representation of secondary organic aerosols (SOA) is used with OA divided into layers, the first layer at the center of the particle (slowly reaches equilibrium) and the final layer near the interface with the gas phase (quickly reaches equilibrium).

Impact Of Three-Phase Relative Permeability and Hysteresis Models On Forecasts of Storage Associated with CO2-EOR

NASA Astrophysics Data System (ADS)

Jia, W.; Pan, F.; McPherson, B. J. O. L.

2015-12-01

Due to the presence of multiple phases in a given system, CO2 sequestration with enhanced oil recovery (CO2-EOR) includes complex multiphase flow processes compared to CO2 sequestration in deep saline aquifers (no hydrocarbons). Two of the most important factors are three-phase relative permeability and hysteresis effects, both of which are difficult to measure and are usually represented by numerical interpolation models. The purposes of this study included quantification of impacts of different three-phase relative permeability models and hysteresis models on CO2 sequestration simulation results, and associated quantitative estimation of uncertainty. Four three-phase relative permeability models and three hysteresis models were applied to a model of an active CO2-EOR site, the SACROC unit located in western Texas. To eliminate possible bias of deterministic parameters on the evaluation, a sequential Gaussian simulation technique was utilized to generate 50 realizations to describe heterogeneity of porosity and permeability, initially obtained from well logs and seismic survey data. Simulation results of forecasted pressure distributions and CO2 storage suggest that (1) the choice of three-phase relative permeability model and hysteresis model have noticeable impacts on CO2 sequestration simulation results; (2) influences of both factors are observed in all 50 realizations; and (3) the specific choice of hysteresis model appears to be somewhat more important relative to the choice of three-phase relative permeability model in terms of model uncertainty.

Glassy phases and driven response of the phase-field-crystal model with random pinning.

PubMed

Granato, E; Ramos, J A P; Achim, C V; Lehikoinen, J; Ying, S C; Ala-Nissila, T; Elder, K R

2011-09-01

We study the structural correlations and the nonlinear response to a driving force of a two-dimensional phase-field-crystal model with random pinning. The model provides an effective continuous description of lattice systems in the presence of disordered external pinning centers, allowing for both elastic and plastic deformations. We find that the phase-field crystal with disorder assumes an amorphous glassy ground state, with only short-ranged positional and orientational correlations, even in the limit of weak disorder. Under increasing driving force, the pinned amorphous-glass phase evolves into a moving plastic-flow phase and then, finally, a moving smectic phase. The transverse response of the moving smectic phase shows a vanishing transverse critical force for increasing system sizes.

TESTING MODELS FOR THE SHALLOW DECAY PHASE OF GAMMA-RAY BURST AFTERGLOWS WITH POLARIZATION OBSERVATIONS

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

Lan, Mi-Xiang; Dai, Zi-Gao; Wu, Xue-Feng, E-mail: dzg@nju.edu.cn

2016-08-01

The X-ray afterglows of almost one-half of gamma-ray bursts have been discovered by the Swift satellite to have a shallow decay phase of which the origin remains mysterious. Two main models have been proposed to explain this phase: relativistic wind bubbles (RWBs) and structured ejecta, which could originate from millisecond magnetars and rapidly rotating black holes, respectively. Based on these models, we investigate polarization evolution in the shallow decay phase of X-ray and optical afterglows. We find that in the RWB model, a significant bump of the polarization degree evolution curve appears during the shallow decay phase of both opticalmore » and X-ray afterglows, while the polarization position angle abruptly changes its direction by 90°. In the structured ejecta model, however, the polarization degree does not evolve significantly during the shallow decay phase of afterglows whether the magnetic field configuration in the ejecta is random or globally large-scale. Therefore, we conclude that these two models for the shallow decay phase and relevant central engines would be testable with future polarization observations.« less

Impacts of Subgrid Heterogeneous Mixing between Cloud Liquid and Ice on the Wegner-Bergeron-Findeisen Process and Mixed-phase Clouds in NCAR CAM5

NASA Astrophysics Data System (ADS)

Liu, X.; Zhang, M.; Zhang, D.; Wang, Z.; Wang, Y.

2017-12-01

Mixed-phase clouds are persistently observed over the Arctic and the phase partitioning between cloud liquid and ice hydrometeors in mixed-phase clouds has important impacts on the surface energy budget and Arctic climate. In this study, we test the NCAR Community Atmosphere Model Version 5 (CAM5) with the single-column and weather forecast configurations and evaluate the model performance against observation data from the DOE Atmospheric Radiation Measurement (ARM) Program's M-PACE field campaign in October 2004 and long-term ground-based multi-sensor remote sensing measurements. Like most global climate models, we find that CAM5 also poorly simulates the phase partitioning in mixed-phase clouds by significantly underestimating the cloud liquid water content. Assuming pocket structures in the distribution of cloud liquid and ice in mixed-phase clouds as suggested by in situ observations provides a plausible solution to improve the model performance by reducing the Wegner-Bergeron-Findeisen (WBF) process rate. In this study, the modification of the WBF process in the CAM5 model has been achieved with applying a stochastic perturbation to the time scale of the WBF process relevant to both ice and snow to account for the heterogeneous mixture of cloud liquid and ice. Our results show that this modification of WBF process improves the modeled phase partitioning in the mixed-phase clouds. The seasonal variation of mixed-phase cloud properties is also better reproduced in the model in comparison with the long-term ground-based remote sensing observations. Furthermore, the phase partitioning is insensitive to the reassignment time step of perturbations.

Stochastic dynamics for reinfection by transmitted diseases

NASA Astrophysics Data System (ADS)

Barros, Alessandro S.; Pinho, Suani T. R.

2017-06-01

The use of stochastic models to study the dynamics of infectious diseases is an important tool to understand the epidemiological process. For several directly transmitted diseases, reinfection is a relevant process, which can be expressed by endogenous reactivation of the pathogen or by exogenous reinfection due to direct contact with an infected individual (with smaller reinfection rate σ β than infection rate β ). In this paper, we examine the stochastic susceptible, infected, recovered, infected (SIRI) model simulating the endogenous reactivation by a spontaneous reaction, while exogenous reinfection by a catalytic reaction. Analyzing the mean-field approximations of a site and pairs of sites, and Monte Carlo (MC) simulations for the particular case of exogenous reinfection, we obtained continuous phase transitions involving endemic, epidemic, and no transmission phases for the simple approach; the approach of pairs is better to describe the phase transition from endemic phase (susceptible, infected, susceptible (SIS)-like model) to epidemic phase (susceptible, infected, and removed or recovered (SIR)-like model) considering the comparison with MC results; the reinfection increases the peaks of outbreaks until the system reaches endemic phase. For the particular case of endogenous reactivation, the approach of pairs leads to a continuous phase transition from endemic phase (SIS-like model) to no transmission phase. Finally, there is no phase transition when both effects are taken into account. We hope the results of this study can be generalized for the susceptible, exposed, infected, and removed or recovered (SEIRIE) model, for which the state exposed (infected but not infectious), describing more realistically transmitted diseases such as tuberculosis. In future work, we also intend to investigate the effect of network topology on phase transitions when the SIRI model describes both transmitted diseases (σ <1 ) and social contagions (σ >1 ).

Phase separation and large deviations of lattice active matter

NASA Astrophysics Data System (ADS)

Whitelam, Stephen; Klymko, Katherine; Mandal, Dibyendu

2018-04-01

Off-lattice active Brownian particles form clusters and undergo phase separation even in the absence of attractions or velocity-alignment mechanisms. Arguments that explain this phenomenon appeal only to the ability of particles to move persistently in a direction that fluctuates, but existing lattice models of hard particles that account for this behavior do not exhibit phase separation. Here we present a lattice model of active matter that exhibits motility-induced phase separation in the absence of velocity alignment. Using direct and rare-event sampling of dynamical trajectories, we show that clustering and phase separation are accompanied by pronounced fluctuations of static and dynamic order parameters. This model provides a complement to off-lattice models for the study of motility-induced phase separation.

Two-Phase Model of Combustion in Explosions

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

Kuhl, A L; Khasainov, B; Bell, J

2006-06-19

A two-phase model for Aluminum particle combustion in explosions is proposed. It combines the gas-dynamic conservation laws for the gas phase with the continuum mechanics laws of multi-phase media, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by the Khasainov model. Combustion is specified as material transformations in the Le Chatelier diagram which depicts the locus of thermodynamic states in the internal energy-temperature plane according to Kuhl. Numerical simulations are used to show the evolution of two-phase combustion fields generated by the explosive dissemination of a powdered Al fuel.

Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating Li XFePO 4 electrode particles

DOE PAGES

Heo, Tae Wook; Chen, Long-Qing; Wood, Brandon C.

2015-04-08

In this paper, we present a comprehensive phase-field model for simulating diffusion-mediated kinetic phase behaviors near the surface of a solid particle. The model incorporates elastic inhomogeneity and anisotropy, diffusion mobility anisotropy, interfacial energy anisotropy, and Cahn–Hilliard diffusion kinetics. The free energy density function is formulated based on the regular solution model taking into account the possible solute-surface interaction near the surface. The coherency strain energy is computed using the Fourier-spectral iterative-perturbation method due to the strong elastic inhomogeneity with a zero surface traction boundary condition. Employing a phase-separating Li XFePO 4 electrode particle for Li-ion batteries as a modelmore » system, we perform parametric three-dimensional computer simulations. The model permits the observation of surface phase behaviors that are different from the bulk counterpart. For instance, it reproduces the theoretically well-established surface modes of spinodal decomposition of an unstable solid solution: the surface mode of coherent spinodal decomposition and the surface-directed spinodal decomposition mode. We systematically investigate the influences of major factors on the kinetic surface phase behaviors during the diffusional process. Finally, our simulation study provides insights for tailoring the internal phase microstructure of a particle by controlling the surface phase morphology.« less

Effect of liquid droplets on turbulence in a round gaseous jet

NASA Technical Reports Server (NTRS)

Mostafa, A. A.; Elghobashi, S. E.

1986-01-01

The main objective of this investigation is to develop a two-equation turbulence model for dilute vaporizing sprays or in general for dispersed two-phase flows including the effects of phase changes. The model that accounts for the interaction between the two phases is based on rigorously derived equations for turbulence kinetic energy (K) and its dissipation rate epsilon of the carrier phase using the momentum equation of that phase. Closure is achieved by modeling the turbulent correlations, up to third order, in the equations of the mean motion, concentration of the vapor in the carrier phase, and the kinetic energy of turbulence and its dissipation rate for the carrier phase. The governing equations are presented in both the exact and the modeled formes. The governing equations are solved numerically using a finite-difference procedure to test the presented model for the flow of a turbulent axisymmetric gaseous jet laden with either evaporating liquid droplets or solid particles. The predictions include the distribution of the mean velocity, volume fractions of the different phases, concentration of the evaporated material in the carrier phase, turbulence intensity and shear stress of the carrier phase, droplet diameter distribution, and the jet spreading rate. The predictions are in good agreement with the experimental data.

AQMEII Phase 2: Overview and WRF/CMAQ Application over North America

EPA Science Inventory

In this study, we provide an overview of the second phase of the Air Quality Model Evaluation International Initiative (AQMEII). Activities in this phase are focused on the application and evaluation of coupled meteorologychemistry models. Participating modeling systems are being...

Deformation and Damage Mechanisms in High Temperature Composits with Ductile Matrices

DTIC Science & Technology

1992-06-01

Models 2 2.1.2 Uniform Fields and Phase Eigenstrains 4 in Heterogeneous Media 6 2.1.3 Constitutive Equations of the Phases 10 2.1.4 Comparison with...systems, but the FDM model assumptions may no longer hold and the PHA model is again indicated. 3 I 2.1.2 Uniform Fields and Phase Eigenstrains in...mechanical and eigenstrain -induced local fields, and regard plastic strains as phase eigenstrains . A solution scheme for the PHA and FDM models was

Phase Field Modeling of Directional Fracture in Anisotropic Polycrystals

DTIC Science & Technology

2015-02-01

include [35–37]. The phase field description of fracture should be con- trasted with continuum damage mechanics descriptions such as [38,39] that do not...ARL-RP-0518 ● FEBRUARY 2015 US Army Research Laboratory Phase Field Modeling of Directional Fracture in Anisotropic Polycrystals...0518 ● FEBRUARY 2015 US Army Research Laboratory Phase Field Modeling of Directional Fracture in Anisotropic Polycrystals by JD Clayton

A new mechanistic growth model for simultaneous determination of lag phase duration and exponential growth rate and a new Belehdradek-type model for evaluating the effect of temperature on growth rate

USDA-ARS?s Scientific Manuscript database

A new mechanistic growth model was developed to describe microbial growth under isothermal conditions. The new mathematical model was derived from the basic observation of bacterial growth that may include lag, exponential, and stationary phases. With this model, the lag phase duration and exponen...

Lattice Boltzmann simulations of multiple-droplet interaction dynamics.

PubMed

Zhou, Wenchao; Loney, Drew; Fedorov, Andrei G; Degertekin, F Levent; Rosen, David W

2014-03-01

A lattice Boltzmann (LB) formulation, which is consistent with the phase-field model for two-phase incompressible fluid, is proposed to model the interface dynamics of droplet impingement. The interparticle force is derived by comparing the macroscopic transport equations recovered from LB equations with the governing equations of the continuous phase-field model. The inconsistency between the existing LB implementations and the phase-field model in calculating the relaxation time at the phase interface is identified and an approximation is proposed to ensure the consistency with the phase-field model. It is also shown that the commonly used equilibrium velocity boundary for the binary fluid LB scheme does not conserve momentum at the wall boundary and a modified scheme is developed to ensure the momentum conservation at the boundary. In addition, a geometric formulation of the wetting boundary condition is proposed to replace the popular surface energy formulation and results show that the geometric approach enforces the prescribed contact angle better than the surface energy formulation in both static and dynamic wetting. The proposed LB formulation is applied to simulating droplet impingement dynamics in three dimensions and results are compared to those obtained with the continuous phase-field model, the LB simulations reported in the literature, and experimental data from the literature. The results show that the proposed LB simulation approach yields not only a significant speed improvement over the phase-field model in simulating droplet impingement dynamics on a submillimeter length scale, but also better accuracy than both the phase-field model and the previously reported LB techniques when compared to experimental data. Upon validation, the proposed LB modeling methodology is applied to the study of multiple-droplet impingement and interactions in three dimensions, which demonstrates its powerful capability of simulating extremely complex interface phenomena.

Modelling compressible dense and dilute two-phase flows

NASA Astrophysics Data System (ADS)

Saurel, Richard; Chinnayya, Ashwin; Carmouze, Quentin

2017-06-01

Many two-phase flow situations, from engineering science to astrophysics, deal with transition from dense (high concentration of the condensed phase) to dilute concentration (low concentration of the same phase), covering the entire range of volume fractions. Some models are now well accepted at the two limits, but none are able to cover accurately the entire range, in particular regarding waves propagation. In the present work, an alternative to the Baer and Nunziato (BN) model [Baer, M. R. and Nunziato, J. W., "A two-phase mixture theory for the deflagration-to-detonation transition (DDT) in reactive granular materials," Int. J. Multiphase Flow 12(6), 861 (1986)], initially designed for dense flows, is built. The corresponding model is hyperbolic and thermodynamically consistent. Contrarily to the BN model that involves 6 wave speeds, the new formulation involves 4 waves only, in agreement with the Marble model [Marble, F. E., "Dynamics of a gas containing small solid particles," Combustion and Propulsion (5th AGARD Colloquium) (Pergamon Press, 1963), Vol. 175] based on pressureless Euler equations for the dispersed phase, a well-accepted model for low particle volume concentrations. In the new model, the presence of pressure in the momentum equation of the particles and consideration of volume fractions in the two phases render the model valid for large particle concentrations. A symmetric version of the new model is derived as well for liquids containing gas bubbles. This model version involves 4 characteristic wave speeds as well, but with different velocities. Last, the two sub-models with 4 waves are combined in a unique formulation, valid for the full range of volume fractions. It involves the same 6 wave speeds as the BN model, but at a given point of space, 4 waves only emerge, depending on the local volume fractions. The non-linear pressure waves propagate only in the phase with dominant volume fraction. The new model is tested numerically on various test problems ranging from separated phases in a shock tube to shock-particle cloud interaction. Its predictions are compared to BN and Marble models as well as against experimental data showing clear improvements.

A Mathematical Model of the Circadian Phase-Shifting Effects of Exogenous Melatonin

PubMed Central

Breslow, Emily R.; Phillips, Andrew J.K.; Huang, Jean M.; St. Hilaire, Melissa A.; Klerman, Elizabeth B.

2013-01-01

Melatonin is endogenously produced and released in humans during nighttime darkness and is suppressed by ocular light exposure. Exogenous melatonin is used to induce circadian phase shifts and sleep. The circadian phase-shifting ability of a stimulus (e.g., melatonin or light) relative to its timing may be displayed as a phase response curve (PRC). Published PRCs to exogenous melatonin show a transition from phase advances to delays approximately 1 h after dim light melatonin onset. A previously developed mathematical model simulates endogenous production and clearance of melatonin as a function of circadian phase, light-induced suppression, and resetting of circadian phase by light. We extend this model to include the pharmacokinetics of oral exogenous melatonin and phase-shifting effects via melatonin receptors in the suprachiasmatic nucleus of the mammalian hypothalamus. Model parameters are fit using 2 data sets: (1) blood melatonin concentration following a 0.3- or 5.0-mg dose, and (2) a PRC to a 3.0-mg dose of melatonin. After fitting to the 3.0-mg PRC, the model correctly predicts that, by comparison, the 0.5-mg PRC is slightly decreased in amplitude and shifted to a later circadian phase. This model also reproduces blood concentration profiles of various melatonin preparations that differ only in absorption rate and percentage degradation by first-pass hepatic metabolism. This model can simulate experimental protocols using oral melatonin, with potential application to guide dose size and timing to optimally shift and entrain circadian rhythms. PMID:23382594

A Semiempirical Model for Sigma-Phase Precipitation in Duplex and Superduplex Stainless Steels

NASA Astrophysics Data System (ADS)

Ferro, P.; Bonollo, F.

2012-04-01

Sigma phase is known to reduce the mechanical properties and corrosion resistance of duplex and superduplex stainless steels. Therefore, heat treatments and welding must be carefully performed so as to avoid the appearance of such a detrimental phase, and clearly, models suitable to faithfully predict σ-phase precipitation are very useful tools. Most fully analytical models are based on thermodynamic calculations whose agreement with experimental results is not always good, so that such models should be used for qualitative purposes only. Alternatively, it is possible to exploit semiempirical models, where time-temperature-transformation (TTT) diagrams are empirically determined for a given alloy and the continuous-cooling-transformation (CCT) diagram is calculated from the TTT diagram. In this work, a semiempirical model for σ-phase precipitation in duplex and superduplex stainless steels, under both isothermal and unisothermal conditions, is proposed. Model parameters are calculated from empirical data and CCT diagrams are obtained by means of the additivity rule, whereas experimental measurements for model validation are taken from the literature. This model gives a satisfactory estimation of σ-phase precipitates during both isothermal aging and the continuous cooling process.

Grain Floatation During Equiaxed Solidification of an Al-Cu Alloy in a Side-Cooled Cavity: Part II—Numerical Studies

NASA Astrophysics Data System (ADS)

Kumar, Arvind; Walker, Mike J.; Sundarraj, Suresh; Dutta, Pradip

2011-08-01

In this article, a single-phase, one-domain macroscopic model is developed for studying binary alloy solidification with moving equiaxed solid phase, along with the associated transport phenomena. In this model, issues such as thermosolutal convection, motion of solid phase relative to liquid and viscosity variations of the solid-liquid mixture with solid fraction in the mobile zone are taken into account. Using the model, the associated transport phenomena during solidification of Al-Cu alloys in a rectangular cavity are predicted. The results for temperature variation, segregation patterns, and eutectic fraction distribution are compared with data from in-house experiments. The model predictions compare well with the experimental results. To highlight the influence of solid phase movement on convection and final macrosegregation, the results of the current model are also compared with those obtained from the conventional solidification model with stationary solid phase. By including the independent movement of the solid phase into the fluid transport model, better predictions of macrosegregation, microstructure, and even shrinkage locations were obtained. Mechanical property prediction models based on microstructure will benefit from the improved accuracy of this model.

Characterization and Computational Modeling of Minor Phases in Alloy LSHR

NASA Technical Reports Server (NTRS)

Jou, Herng-Jeng; Olson, Gregory; Gabb, Timothy; Garg, Anita; Miller, Derek

2012-01-01

The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.

Phase unwrapping using region-based markov random field model.

PubMed

Dong, Ying; Ji, Jim

2010-01-01

Phase unwrapping is a classical problem in Magnetic Resonance Imaging (MRI), Interferometric Synthetic Aperture Radar and Sonar (InSAR/InSAS), fringe pattern analysis, and spectroscopy. Although many methods have been proposed to address this problem, robust and effective phase unwrapping remains a challenge. This paper presents a novel phase unwrapping method using a region-based Markov Random Field (MRF) model. Specifically, the phase image is segmented into regions within which the phase is not wrapped. Then, the phase image is unwrapped between different regions using an improved Highest Confidence First (HCF) algorithm to optimize the MRF model. The proposed method has desirable theoretical properties as well as an efficient implementation. Simulations and experimental results on MRI images show that the proposed method provides similar or improved phase unwrapping than Phase Unwrapping MAx-flow/min-cut (PUMA) method and ZpM method.

Verification and Validation Strategy for Implementation of Hybrid Potts-Phase Field Hydride Modeling Capability in MBM

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

Jason D. Hales; Veena Tikare

2014-04-01

The Used Fuel Disposition (UFD) program has initiated a project to develop a hydride formation modeling tool using a hybrid Potts­phase field approach. The Potts model is incorporated in the SPPARKS code from Sandia National Laboratories. The phase field model is provided through MARMOT from Idaho National Laboratory.

Dynamic modeling method for infrared smoke based on enhanced discrete phase model

NASA Astrophysics Data System (ADS)

Zhang, Zhendong; Yang, Chunling; Zhang, Yan; Zhu, Hongbo

2018-03-01

The dynamic modeling of infrared (IR) smoke plays an important role in IR scene simulation systems and its accuracy directly influences the system veracity. However, current IR smoke models cannot provide high veracity, because certain physical characteristics are frequently ignored in fluid simulation; simplifying the discrete phase as a continuous phase and ignoring the IR decoy missile-body spinning. To address this defect, this paper proposes a dynamic modeling method for IR smoke, based on an enhanced discrete phase model (DPM). A mathematical simulation model based on an enhanced DPM is built and a dynamic computing fluid mesh is generated. The dynamic model of IR smoke is then established using an extended equivalent-blackbody-molecule model. Experiments demonstrate that this model realizes a dynamic method for modeling IR smoke with higher veracity.

SURFACTANT-ENHANCED SOLUBILIZATION OF RESIDUAL DODECANE IN SOIL COLUMNS - 2. MATHEMATICAL MODELING

EPA Science Inventory

A mathematical model is developed to describe surfactant-enhanced solubilization of nonaqueous-phase liquids (NAPLs) in porous media. The model incorporates aqueous-phase transport equations for organic and surfactant components as well as a mass balance for the organic phase. Ra...

SURFACTANT ENHANCED SOLUBILIZATION OF RESIDUAL DODECANE IN SOIL COLUMNS 1. MATHEMATICAL MODELING

EPA Science Inventory

A mathematical model is developed to describe surfactant enhanced solubilization of nonaqueous phase liquids (NAPLS) in porous media. he model incorporates aqueous phase transport equations for organic and surfactant components as well as a mass balance on the organic phase. ate-...

Phase diagram of the frustrated J 1 ‑ J 2 transverse field Ising model on the square lattice

NASA Astrophysics Data System (ADS)

Sadrzadeh, M.; Langari, A.

2018-03-01

We study the zero-temperature phase diagram of transverse field Ising model on the J 1 ‑ J 2 square lattice. In zero magnetic field, the model has a classical Néel phase for J 2/J 1 < 0.5 and an antiferromagnetic collinear phase for J 2/J 1 > 0.5. We incorporate harmonic fluctuations by using linear spin wave theory (LSWT) with single spin flip excitations above a magnetic order background and obtain the phase diagram of the model in this approximation. We find that harmonic quantum fluctuations of LSWT fail to lift the large degeneracy at J 2/J 1 = 0.5 and exhibit some inconsistent regions on the phase diagram. However, we show that anharmonic fluctuations of cluster operator approach (COA) resolve the inconsistency of the LSWT, which reveals a string-valence bond solid ordered phase for the highly frustrated region.

SPS pilot signal design and power transponder analysis, volume 2, phase 3

NASA Technical Reports Server (NTRS)

Lindsey, W. C.; Scholtz, R. A.; Chie, C. M.

1980-01-01

The problem of pilot signal parameter optimization and the related problem of power transponder performance analysis for the Solar Power Satellite reference phase control system are addressed. Signal and interference models were established to enable specifications of the front end filters including both the notch filter and the antenna frequency response. A simulation program package was developed to be included in SOLARSIM to perform tradeoffs of system parameters based on minimizing the phase error for the pilot phase extraction. An analytical model that characterizes the overall power transponder operation was developed. From this model, the effects of different phase noise disturbance sources that contribute to phase variations at the output of the power transponders were studied and quantified. Results indicate that it is feasible to hold the antenna array phase error to less than one degree per power module for the type of disturbances modeled.

Probing the limits of the rigid-intensity-shift model in differential-phase-contrast scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Clark, L.; Brown, H. G.; Paganin, D. M.; Morgan, M. J.; Matsumoto, T.; Shibata, N.; Petersen, T. C.; Findlay, S. D.

2018-04-01

The rigid-intensity-shift model of differential-phase-contrast imaging assumes that the phase gradient imposed on the transmitted probe by the sample causes the diffraction pattern intensity to shift rigidly by an amount proportional to that phase gradient. This behavior is seldom realized exactly in practice. Through a combination of experimental results, analytical modeling and numerical calculations, using as case studies electron microscope imaging of the built-in electric field in a p-n junction and nanoscale domains in a magnetic alloy, we explore the breakdown of rigid-intensity-shift behavior and how this depends on the magnitude of the phase gradient and the relative scale of features in the phase profile and the probe size. We present guidelines as to when the rigid-intensity-shift model can be applied for quantitative phase reconstruction using segmented detectors, and propose probe-shaping strategies to further improve the accuracy.

Model forecasting of phase composition of electrolytic alloys Co-Ni-Mn (part 1)

NASA Astrophysics Data System (ADS)

Schmidt, V. V.; Zhikhareva, I. G.

2018-03-01

With the help of four criteria for phase formation, a model forecasting of the phase composition of electrolytic alloy Co-Ni-Mn was carried out; the expected phases were calculated. The boundaries of the chemical content of the metal-solvent (Co) in these phases are determined, depending on the ratio of metal ions in the electrolyte of deposition. Model forecasting of the phase composition of Co-Ni-Mn alloys makes it possible to predict the type and number of Co phases (hexagonal close-packed - HCP-α-Co, face-centered cubic - FCC-β-Co) depending on the mole fraction of the solvent metal (Co). In the first approximation, the forecast allows one to determine the phase and chemical composition of the coating, which corresponds to the specified operational properties.

Three-phase Power Flow Calculation of Low Voltage Distribution Network Considering Characteristics of Residents Load

NASA Astrophysics Data System (ADS)

Wang, Yaping; Lin, Shunjiang; Yang, Zhibin

2017-05-01

In the traditional three-phase power flow calculation of the low voltage distribution network, the load model is described as constant power. Since this model cannot reflect the characteristics of actual loads, the result of the traditional calculation is always different from the actual situation. In this paper, the load model in which dynamic load represented by air conditioners parallel with static load represented by lighting loads is used to describe characteristics of residents load, and the three-phase power flow calculation model is proposed. The power flow calculation model includes the power balance equations of three-phase (A,B,C), the current balance equations of phase 0, and the torque balancing equations of induction motors in air conditioners. And then an alternating iterative algorithm of induction motor torque balance equations with each node balance equations is proposed to solve the three-phase power flow model. This method is applied to an actual low voltage distribution network of residents load, and by the calculation of three different operating states of air conditioners, the result demonstrates the effectiveness of the proposed model and the algorithm.

Study of the slope of the linear relationship between retention and mobile phase composition (Snyder-Soczewiñski model) in normal phase liquid chromatography with bonded and charge-transfer phases.

PubMed

Wu, Di; Lucy, Charles A

2016-12-02

The Snyder model and the Soczewiñski model are compared on classic NPLC bonded phases using literature data, and on the charge transfer 2, 4-dinitroanilinopropyl (DNAP) column using experimentally collected data. Overall, the Snyder model slightly better predicts the n-slope than the Soczewiñski model. However, both models give comparable uncertainty in predicting n-slope for a given compound. The number of aromatic double bonds was the most suitable descriptor for estimating the relative n-slope of PAHs, as it correlated with behavior better than the number of aromatic rings and is simpler to calculate than the solute adsorption area. On the DNAP phase, a modified Soczewiñski model is suggested to allow for the significant contribution of the aromatic rings to the n-slope. For classic NPLC bonded phases and DNAP columns, the contribution of polar group to the n-slope parallels the adsorption energy of each polar group. Copyright © 2016 Elsevier B.V. All rights reserved.

A deformation-formulated micromechanics model of the effective Young's modulus and strength of laminated composites containing local ply curvature

NASA Technical Reports Server (NTRS)

Lee, Jong-Won; Harris, Charles E.

1990-01-01

A mathematical model based on the Euler-Bermoulli beam theory is proposed for predicting the effective Young's moduli of piecewise isotropic composite laminates with local ply curvatures in the main load-carrying layers. Strains in corrugated layers, in-phase layers, and out-of-phase layers are predicted for various geometries and material configurations by assuming matrix layers as elastic foundations of different spring constants. The effective Young's moduli measured from corrugated aluminum specimens and aluminum/epoxy specimens with in-phase and out-of-phase wavy patterns coincide very well with the model predictions. Moire fringe analysis of an in-phase specimen and an out-of-phase specimen are also presented, confirming the main assumption of the model related to the elastic constraint due to the matrix layers. The present model is also compared with the experimental results and other models, including the microbuckling models, published in the literature. The results of the present study show that even a very small-scale local ply curvature produces a noticeable effect on the mechanical constitutive behavior of a laminated composite.

Phase Distribution Phenomena for Simulated Microgravity Conditions: Experimental Work

NASA Technical Reports Server (NTRS)

Singhal, Maneesh; Bonetto, Fabian J.; Lahey, R. T., Jr.

1996-01-01

This report summarizes the work accomplished at Rensselaer to study phase distribution phenomenon under simulated microgravity conditions. Our group at Rensselaer has been able to develop sophisticated analytical models to predict phase distribution in two-phase flows under a variety of conditions. These models are based on physics and data obtained from carefully controlled experiments that are being conducted here. These experiments also serve to verify the models developed.

Phase Distribution Phenomena for Simulated Microgravity Conditions: Experimental Work

NASA Technical Reports Server (NTRS)

Singhal, Maneesh; Bonetto, Fabian J.; Lahey, R. T., Jr.

1996-01-01

This report summarizes the work accomplished at Rensselaer to study phase distribution phenomenon under simulated microgravity conditions. Our group at Rensselaer has been able to develop sophisticated analytical models to predict phase distribution in two-phase flows under variety of conditions. These models are based on physics and data obtained from carefully controlled experiments that are being conducted here. These experiments also serve to verify the models developed.

Gas and grain chemical composition in cold cores as predicted by the Nautilus three-phase model

NASA Astrophysics Data System (ADS)

Ruaud, Maxime; Wakelam, Valentine; Hersant, Franck

2016-07-01

We present an extended version of the two-phase gas-grain code NAUTILUS to the three-phase modelling of gas and grain chemistry of cold cores. In this model, both the mantle and the surface are considered as chemically active. We also take into account the competition among reaction, diffusion and evaporation. The model predictions are confronted to ice observations in the envelope of low-mass and massive young stellar objects as well as towards background stars. Modelled gas-phase abundances are compared to species observed towards TMC-1 (CP) and L134N dark clouds. We find that our model successfully reproduces the observed ice species. It is found that the reaction-diffusion competition strongly enhances reactions with barriers and more specifically reactions with H2, which is abundant on grains. This finding highlights the importance having a good approach to determine the abundance of H2 on grains. Consequently, it is found that the major N-bearing species on grains go from NH3 to N2 and HCN when the reaction-diffusion competition is taken into account. In the gas phase and before a few 105 yr, we find that the three-phase model does not have a strong impact on the observed species compared to the two-phase model. After this time, the computed abundances dramatically decrease due to the strong accretion on dust, which is not counterbalanced by the desorption less efficient than in the two-phase model. This strongly constrains the chemical age of cold cores to be of the order of few 105 yr.

One-dimensional drift-flux model and constitutive equations for relative motion between phases in various two-phase flow regimes

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

Ishii, M.

1977-10-01

In view of the practical importance of the drift-flux model for two-phase flow analysis in general and in the analysis of nuclear-reactor transients and accidents in particular, the kinematic constitutive equation for the drift velocity has been studied for various two-phase flow regimes. The constitutive equation that specifies the relative motion between phases in the drift-flux model has been derived by taking into account the interfacial geometry, the body-force field, shear stresses, and the interfacial momentum transfer, since these macroscopic effects govern the relative velocity between phases. A comparison of the model with various experimental data over various flow regimesmore » and a wide range of flow parameters shows a satisfactory agreement.« less

“AQMEII Phase 2: Overview and WRF/CMAQ Application over North America”.

EPA Science Inventory

This presentation provides an overview of the second phase of the Air Quality Model Evaluation International Initative (AQMEII). Activities in this phase are focused on the application and evaluation of coupled meteorology-chemistry models to assess how well these models can simu...

“Overview and Evaluation of AQMEII Phase 2 Coupled Simulations over North America”

EPA Science Inventory

This presentation provides an overview of the second phase of the Air Quality Model Evaluation International Initative (AQMEII). Activities in this phase are focused on the application and evaluation of coupled meteorology-chemistry models to assess how well these models can simu...

Force transients and minimum cross-bridge models in muscular contraction

PubMed Central

Halvorson, Herbert R.

2010-01-01

Two- and three-state cross-bridge models are considered and examined with respect to their ability to predict three distinct phases of the force transients that occur in response to step change in muscle fiber length. Particular attention is paid to satisfying the Le Châtelier–Brown Principle. This analysis shows that the two-state model can account for phases 1 and 2 of a force transient, but is barely adequate to account for phase 3 (delayed force) unless a stretch results in a sudden increase in the number of cross-bridges in the detached state. The three-state model (A → B → C → A) makes it possible to account for all three phases if we assume that the A → B transition is fast (corresponding to phase 2), the B → C transition is of intermediate speed (corresponding to phase 3), and the C → A transition is slow; in such a scenario, states A and C can support or generate force (high force states) but state B cannot (detached, or low-force state). This model involves at least one ratchet mechanism. In this model, force can be generated by either of two transitions: B → A or B → C. To determine which of these is the major force-generating step that consumes ATP and transduces energy, we examine the effects of ATP, ADP, and phosphate (Pi) on force transients. In doing so, we demonstrate that the fast transition (phase 2) is associated with the nucleotide-binding step, and that the intermediate-speed transition (phase 3) is associated with the Pi-release step. To account for all the effects of ligands, it is necessary to expand the three-state model into a six-state model that includes three ligand-bound states. The slowest phase of a force transient (phase 4) cannot be explained by any of the models described unless an additional mechanism is introduced. Here we suggest a role of series compliance to account for this phase, and propose a model that correlates the slowest step of the cross-bridge cycle (transition C → A) to: phase 4 of step analysis, the rate constant ktr of the quick-release and restretch experiment, and the rate constant kact for force development time course following Ca2+ activation. PMID:18425593

Force transients and minimum cross-bridge models in muscular contraction.

PubMed

Kawai, Masataka; Halvorson, Herbert R

2007-01-01

Two- and three-state cross-bridge models are considered and examined with respect to their ability to predict three distinct phases of the force transients that occur in response to step change in muscle fiber length. Particular attention is paid to satisfying the Le Châtelier-Brown Principle. This analysis shows that the two-state model can account for phases 1 and 2 of a force transient, but is barely adequate to account for phase 3 (delayed force) unless a stretch results in a sudden increase in the number of cross-bridges in the detached state. The three-state model (A-->B-->C-->A) makes it possible to account for all three phases if we assume that the A-->B transition is fast (corresponding to phase 2), the B-->A transition is of intermediate speed (corresponding to phase 3), and the C-->A transition is slow; in such a scenario, states A and C can support or generate force (high force states) but state B cannot (detached, or low-force state). This model involves at least one ratchet mechanism. In this model, force can be generated by either of two transitions: B-->A or B-->C. To determine which of these is the major force-generating step that consumes ATP and transduces energy, we examine the effects of ATP, ADP, and phosphate (Pi) on force transients. In doing so, we demonstrate that the fast transition (phase 2) is associated with the nucleotide-binding step, and that the intermediate-speed transition (phase 3) is associated with the Pi-release step. To account for all the effects of ligands, it is necessary to expand the three-state model into a six-state model that includes three ligand-bound states. The slowest phase of a force transient (phase 4) cannot be explained by any of the models described unless an additional mechanism is introduced. Here we suggest a role of series compliance to account for this phase, and propose a model that correlates the slowest step of the cross-bridge cycle (transition C-->A) to: phase 4 of step analysis, the rate constant k(tr) of the quick-release and restretch experiment, and the rate constant k(act) for force development time course following Ca(2+) activation.

Alpha – omega and omega – alpha phase transformations in zirconium under hydrostatic pressure: A 3D mesoscale study

DOE PAGES

Yeddu, Hemantha Kumar; Zong, Hongxiang; Lookman, Turab

2015-09-28

Here, a three dimensional (3D) elastoplastic phase-field model is developed for modeling the hydrostatic pressure-induced alpha – omega phase transformation and the reverse phase transformation, i.e. omega – alpha, in zirconium (Zr). Plastic deformation and strain hardening of the material are also considered in the model. The microstructure evolution during both phase transformations is studied. The transformation start pressures at different temperatures are predicted and are plotted as a phase diagram. The effect of phase transformations on the mechanical properties of the material is also studied. The input data corresponding to pure Zr are acquired from experimental studies as wellmore » as by using the CALPHAD method. Our simulations show that three different omega variants form as laths. On release of pressure, reverse phase transformation initiates at lath boundaries. We observe that both phase transformations are martensitic in nature and also occur at the same pressure, i.e. little hysteresis. The transformation start pressures and the kinetics of the transformation predicted by our model are in good agreement with experimental results.« less

Modified sedimentation-dispersion model for solids in a three-phase slurry column

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

Smith, D.N.; Ruether, J.A.; Shah, Y.T.

1986-03-01

Solids distribution data for a three-phase, batch-fluidized slurry bubble column (SBC) are presented, using air as the gas phase, pure liquids and solutions as the liquid phase, and glass beads and carborundum catalyst powder as the solid phase. Solids distribution data for the three-phase SBC operated in a continuous mode of operation are also presented, using nitrogen as the gas phase, water as the liquid phase, and glass beads as the solid phase. A new model to provide a reasonable approach to predict solids concentration distributions for systems containing polydispersed solids is presented. The model is a modification of standardmore » sedimentation-dispersion model published earlier. Empirical correlations for prediction of hindered settling velocity and solids dispersion coefficient for systems containing polydispersed solids are presented. A new method of evaluating critical gas velocity (CGV) from concentrations of the sample withdrawn at the same port of the SBC is presented. Also presented is a new mapping for CGV which separates the two regimes in the SBC, namely, incomplete fluidization and complete fluidization.« less

Alpha – omega and omega – alpha phase transformations in zirconium under hydrostatic pressure: A 3D mesoscale study

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

Yeddu, Hemantha Kumar; Zong, Hongxiang; Lookman, Turab

Here, a three dimensional (3D) elastoplastic phase-field model is developed for modeling the hydrostatic pressure-induced alpha – omega phase transformation and the reverse phase transformation, i.e. omega – alpha, in zirconium (Zr). Plastic deformation and strain hardening of the material are also considered in the model. The microstructure evolution during both phase transformations is studied. The transformation start pressures at different temperatures are predicted and are plotted as a phase diagram. The effect of phase transformations on the mechanical properties of the material is also studied. The input data corresponding to pure Zr are acquired from experimental studies as wellmore » as by using the CALPHAD method. Our simulations show that three different omega variants form as laths. On release of pressure, reverse phase transformation initiates at lath boundaries. We observe that both phase transformations are martensitic in nature and also occur at the same pressure, i.e. little hysteresis. The transformation start pressures and the kinetics of the transformation predicted by our model are in good agreement with experimental results.« less

Two-Fluid Models and Interfacial Area Transport in Microgravity Condition

NASA Technical Reports Server (NTRS)

Ishii, Mamoru; Sun, Xiao-Dong; Vasavada, Shilp

2004-01-01

The objective of the present study is to develop a two-fluid model formulation with interfacial area transport equation applicable for microgravity conditions. The new model is expected to make a leapfrog improvement by furnishing the constitutive relations for the interfacial interaction terms with the interfacial area transport equation, which can dynamically model the changes of the interfacial structures. In the first year of this three-year project supported by the U.S. NASA, Office of Biological and Physics Research, the primary focus is to design and construct a ground-based, microgravity two-phase flow simulation facility, in which two immiscible fluids with close density will be used. In predicting the two-phase flow behaviors in any two-phase flow system, the interfacial transfer terms are among the most essential factors in the modeling. These interfacial transfer terms in a two-fluid model specify the rate of phase change, momentum exchange, and energy transfer at the interface between the two phases. For the two-phase flow under the microgravity condition, the stability of the fluid particle interface and the interfacial structures are quite different from those under normal gravity condition. The flow structure may not reach an equilibrium condition and the two fluids may be loosely coupled such that the inertia terms of each fluid should be considered separately by use of the two-fluid model. Previous studies indicated that, unless phase-interaction terms are accurately modeled in the two-fluid model, the complex modeling does not necessarily warrant an accurate solution.

Combined discrete particle and continuum model predicting solid-state fermentation in a drum fermentor.

PubMed

Schutyser, M A I; Briels, W J; Boom, R M; Rinzema, A

2004-05-20

The development of mathematical models facilitates industrial (large-scale) application of solid-state fermentation (SSF). In this study, a two-phase model of a drum fermentor is developed that consists of a discrete particle model (solid phase) and a continuum model (gas phase). The continuum model describes the distribution of air in the bed injected via an aeration pipe. The discrete particle model describes the solid phase. In previous work, mixing during SSF was predicted with the discrete particle model, although mixing simulations were not carried out in the current work. Heat and mass transfer between the two phases and biomass growth were implemented in the two-phase model. Validation experiments were conducted in a 28-dm3 drum fermentor. In this fermentor, sufficient aeration was provided to control the temperatures near the optimum value for growth during the first 45-50 hours. Several simulations were also conducted for different fermentor scales. Forced aeration via a single pipe in the drum fermentors did not provide homogeneous cooling in the substrate bed. Due to large temperature gradients, biomass yield decreased severely with increasing size of the fermentor. Improvement of air distribution would be required to avoid the need for frequent mixing events, during which growth is hampered. From these results, it was concluded that the two-phase model developed is a powerful tool to investigate design and scale-up of aerated (mixed) SSF fermentors. Copyright 2004 Wiley Periodicals, Inc.

Modeling and Observations of Phase-Mask Trapezoidal Profiles with Grating-Fiber Image Reproduction

NASA Technical Reports Server (NTRS)

Lyons, Donald R.; Lindesay, James V.; Lee, Hyung R.; Ndlela, Zolili U.; Thompso, Erica J.

2000-01-01

We report on an investigation of the trapezoidal design and fabrication defects in phase masks used to produce Bragg reflection gratings in optical fibers. We used a direct visualization technique to examine the nonuniformity of the interference patterns generated by several phase masks. Fringe patterns from the phase masks are compared with the analogous patterns resulting from two-beam interference. Atomic force microscope imaging of the actual phase gratings that give rise to anomalous fringe patterns is used to determine input parameters for a general theoretical model. Phase masks with pitches of 0.566 and 1.059 microns are modeled and investigated.

General phase transition models for vehicular traffic with point constraints on the flow

NASA Astrophysics Data System (ADS)

Dal Santo, E.; Rosini, M. D.; Dymski, N.; Benyahia, M.

2017-12-01

We generalize the phase transition model studied in [R. Colombo. Hyperbolic phase transition in traffic flow.\\ SIAM J.\\ Appl.\\ Math., 63(2):708-721, 2002], that describes the evolution of vehicular traffic along a one-lane road. Two different phases are taken into account, according to whether the traffic is low or heavy. The model is given by a scalar conservation law in the \\emph{free-flow} phase and by a system of two conservation laws in the \\emph{congested} phase. In particular, we study the resulting Riemann problems in the case a local point constraint on the flux of the solutions is enforced.

Phase separation in the t-J model. [in theory of high-temperature superconductors

NASA Technical Reports Server (NTRS)

Emery, V. J.; Lin, H. Q.; Kivelson, S. A.

1990-01-01

A detailed understanding of the motion of 'holes' in an antiferromagnet is of fundamental importance for the theory of high-temperature superconductors. It is shown here that, for the t-J model, dilute holes in an antiferromagnet are unstable against phase separation into a hole-rich and a no-hole phase. When the spin-exchange interaction J exceeds a critical value Jc, the hole-rich phase has no electrons. It is proposed that, for J slightly less than Jc, the hole-rich phase is a low-density superfluid of electron pairs. Phase separation in related models is briefly discussed.

Modulated phases in a three-dimensional Maier-Saupe model with competing interactions

NASA Astrophysics Data System (ADS)

Bienzobaz, P. F.; Xu, Na; Sandvik, Anders W.

2017-07-01

This work is dedicated to the study of the discrete version of the Maier-Saupe model in the presence of competing interactions. The competition between interactions favoring different orientational ordering produces a rich phase diagram including modulated phases. Using a mean-field approach and Monte Carlo simulations, we show that the proposed model exhibits isotropic and nematic phases and also a series of modulated phases that meet at a multicritical point, a Lifshitz point. Though the Monte Carlo and mean-field phase diagrams show some quantitative disagreements, the Monte Carlo simulations corroborate the general behavior found within the mean-field approximation.

Mathematic model analysis of Gaussian beam propagation through an arbitrary thickness random phase screen.

PubMed

Tian, Yuzhen; Guo, Jin; Wang, Rui; Wang, Tingfeng

2011-09-12

In order to research the statistical properties of Gaussian beam propagation through an arbitrary thickness random phase screen for adaptive optics and laser communication application in the laboratory, we establish mathematic models of statistical quantities, which are based on the Rytov method and the thin phase screen model, involved in the propagation process. And the analytic results are developed for an arbitrary thickness phase screen based on the Kolmogorov power spectrum. The comparison between the arbitrary thickness phase screen and the thin phase screen shows that it is more suitable for our results to describe the generalized case, especially the scintillation index.

Overlap of two topological phases in the antiferromagnetic Potts model

NASA Astrophysics Data System (ADS)

Zhao, Ran; Ding, Chengxiang; Deng, Youjin

2018-05-01

By controlling the vortex core energy, the three-state ferromagnetic Potts model can exhibit two types of topological paradigms, including the quasi-long-range ordered phase and the vortex lattice phase [Phys. Rev. Lett. 116, 097206 (2016), 10.1103/PhysRevLett.116.097206]. Here, using Monte Carlo simulations using an efficient worm algorithm, we show that by controlling the vortex core energy, the antiferromagnetic Potts model can also exhibit the two topological phases, and, more interestingly, the two topological phases can overlap with each other.

A Physical Model for Three-Phase Compaction in Silicic Magma Reservoirs

NASA Astrophysics Data System (ADS)

Huber, Christian; Parmigiani, Andrea

2018-04-01

We develop a model for phase separation in magma reservoirs containing a mixture of silicate melt, crystals, and fluids (exsolved volatiles). The interplay between the three phases controls the dynamics of phase separation and consequently the chemical and physical evolution of magma reservoirs. The model we propose is based on the two-phase damage theory approach of Bercovici et al. (2001, https://doi.org/10.1029/2000JB900430) and Bercovici and Ricard (2003, https://doi.org/10.1046/j.1365-246X.2003.01854.x) because it offers the leverage of considering interface (in the macroscopic limit) between phases that can deform depending on the mechanical work and phase changes taking place locally in the magma. Damage models also offer the advantage that pressure is defined uniquely to each phase and does not need to be equal among phases, which will enable us to consider, in future studies, the large capillary pressure at which fluids are mobilized in mature, crystal-rich, magma bodies. In this first analysis of three-phase compaction, we solve the three-phase compaction equations numerically for a simple 1-D problem where we focus on the effect of fluids on the efficiency of melt-crystal separation considering the competition between viscous and buoyancy stresses only. We contrast three sets of simulations to explore the behavior of three-phase compaction, a melt-crystal reference compaction scenario (two-phase compaction), a three-phase scenario without phase changes, and finally a three-phase scenario with a parameterized second boiling (crystallization-induced exsolution). The simulations show a dramatic difference between two-phase (melt crystals) and three-phase (melt-crystals-exsolved volatiles) compaction-driven phase separation. We find that the presence of a lighter, significantly less viscous fluid hinders melt-crystal separation.

Diffuse-interface model for rapid phase transformations in nonequilibrium systems.

PubMed

Galenko, Peter; Jou, David

2005-04-01

A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and the space of fast variables, we introduce finiteness of the heat and solute diffusive propagation at the finite speed of the interface advancing. To describe transformations within the diffuse interface, we use the phase-field model which allows us to follow steep but smooth changes of phase within the width of the diffuse interface. Governing equations of the phase-field model are derived for the hyperbolic model, a model with memory, and a model of nonlinear evolution of transformation within the diffuse interface. The consistency of the model is proved by the verification of the validity of the condition of positive entropy production and by outcomes of the fluctuation-dissipation theorem. A comparison with existing sharp-interface and diffuse-interface versions of the model is given.

TOGA: A TOUGH code for modeling three-phase, multi-component, and non-isothermal processes involved in CO 2-based Enhanced Oil Recovery

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

Pan, Lehua; Oldenburg, Curtis M.

TOGA is a numerical reservoir simulator for modeling non-isothermal flow and transport of water, CO 2, multicomponent oil, and related gas components for applications including CO 2-enhanced oil recovery (CO 2-EOR) and geologic carbon sequestration in depleted oil and gas reservoirs. TOGA uses an approach based on the Peng-Robinson equation of state (PR-EOS) to calculate the thermophysical properties of the gas and oil phases including the gas/oil components dissolved in the aqueous phase, and uses a mixing model to estimate the thermophysical properties of the aqueous phase. The phase behavior (e.g., occurrence and disappearance of the three phases, gas +more » oil + aqueous) and the partitioning of non-aqueous components (e.g., CO 2, CH 4, and n-oil components) between coexisting phases are modeled using K-values derived from assumptions of equal-fugacity that have been demonstrated to be very accurate as shown by comparison to measured data. Models for saturated (water) vapor pressure and water solubility (in the oil phase) are used to calculate the partitioning of the water (H 2O) component between the gas and oil phases. All components (e.g., CO 2, H 2O, and n hydrocarbon components) are allowed to be present in all phases (aqueous, gaseous, and oil). TOGA uses a multiphase version of Darcy’s Law to model flow and transport through porous media of mixtures with up to three phases over a range of pressures and temperatures appropriate to hydrocarbon recovery and geologic carbon sequestration systems. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. New methods for phase partitioning and thermophysical property modeling in TOGA have been validated against experimental data published in the literature for describing phase partitioning and phase behavior. Flow and transport has been verified by testing against related TOUGH2 EOS modules and CMG. The code has also been validated against a CO 2-EOR experimental core flood involving flow of three phases and 12 components. Results of simulations of a hypothetical 3D CO 2-EOR problem involving three phases and multiple components are presented to demonstrate the field-scale capabilities of the new code. This user guide provides instructions for use and sample problems for verification and demonstration.« less

Phase Control in Nonlinear Systems

NASA Astrophysics Data System (ADS)

Zambrano, Samuel; Seoane, Jesús M.; Mariño, Inés P.; Sanjuán, Miguel A. F.; Meucci, Riccardo

The following sections are included: * Introduction * Phase Control of Chaos * Description of the model * Numerical exploration of phase control of chaos * Experimental evidence of phase control of chaos * Phase Control of Intermittency in Dynamical Systems * Crisis-induced intermittency and its control * Experimental setup and implementation of the phase control scheme * Phase control of the laser in the pre-crisis regime * Phase control of the intermittency after the crisis * Phase control of the intermittency in the quadratic map * Phase Control of Escapes in Open Dynamical Systems * Control of open dynamical systems * Model description * Numerical simulations and heuristic arguments * Experimental implementation in an electronic circuit * Conclusions and Discussions * Acknowledgments * References

An observational model for biomechanical assessment of sprint kayaking technique.

PubMed

McDonnell, Lisa K; Hume, Patria A; Nolte, Volker

2012-11-01

Sprint kayaking stroke phase descriptions for biomechanical analysis of technique vary among kayaking literature, with inconsistencies not conducive for the advancement of biomechanics applied service or research. We aimed to provide a consistent basis for the categorisation and analysis of sprint kayak technique by proposing a clear observational model. Electronic databases were searched using key words kayak, sprint, technique, and biomechanics, with 20 sources reviewed. Nine phase-defining positions were identified within the kayak literature and were divided into three distinct types based on how positions were defined: water-contact-defined positions, paddle-shaft-defined positions, and body-defined positions. Videos of elite paddlers from multiple camera views were reviewed to determine the visibility of positions used to define phases. The water-contact-defined positions of catch, immersion, extraction, and release were visible from multiple camera views, therefore were suitable for practical use by coaches and researchers. Using these positions, phases and sub-phases were created for a new observational model. We recommend that kayaking data should be reported using single strokes and described using two phases: water and aerial. For more detailed analysis without disrupting the basic two-phase model, a four-sub-phase model consisting of entry, pull, exit, and aerial sub-phases should be used.

The analysis of magnesium oxide hydration in three-phase reaction system

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

Tang, Xiaojia; Guo, Lin; Chen, Chen

In order to investigate the magnesium oxide hydration process in gas–liquid–solid (three-phase) reaction system, magnesium hydroxide was prepared by magnesium oxide hydration in liquid–solid (two-phase) and three-phase reaction systems. A semi-empirical model and the classical shrinking core model were used to fit the experimental data. The fitting result shows that both models describe well the hydration process of three-phase system, while only the semi-empirical model right for the hydration process of two-phase system. The characterization of the hydration product using X-Ray diffraction (XRD) and scanning electron microscope (SEM) was performed. The XRD and SEM show hydration process in the two-phasemore » system follows common dissolution/precipitation mechanism. While in the three-phase system, the hydration process undergo MgO dissolution, Mg(OH){sub 2} precipitation, Mg(OH){sub 2} peeling off from MgO particle and leaving behind fresh MgO surface. - Graphical abstract: There was existence of a peeling-off process in the gas–liquid–solid (three-phase) MgO hydration system. - Highlights: • Magnesium oxide hydration in gas–liquid–solid system was investigated. • The experimental data in three-phase system could be fitted well by two models. • The morphology analysis suggested that there was existence of a peel-off process.« less

Phased models for evaluating the performability of computing systems

NASA Technical Reports Server (NTRS)

Wu, L. T.; Meyer, J. F.

1979-01-01

A phase-by-phase modelling technique is introduced to evaluate a fault tolerant system's ability to execute different sets of computational tasks during different phases of the control process. Intraphase processes are allowed to differ from phase to phase. The probabilities of interphase state transitions are specified by interphase transition matrices. Based on constraints imposed on the intraphase and interphase transition probabilities, various iterative solution methods are developed for calculating system performability.

Phase behavior of ternary polymer brushes

DOE PAGES

Simocko, Chester K.; Frischknecht, Amalie L.; Huber, Dale L.

2016-01-07

Ternary polymer brushes consisting of polystyrene, poly(methyl methacrylate), and poly(4-vinylpyridine) have been synthesized. These brushes laterally phase separate into several distinct phases and can be tailored by altering the relative polymer composition. Self-consistent field theory has been used to predict the phase diagram and model both the horizontal and vertical phase behavior of the polymer brushes. As a result, all phase behaviors observed experimentally correlate well with the theoretical model.

A model for phase noise generation in amplifiers.

PubMed

Tomlin, T D; Fynn, K; Cantoni, A

2001-11-01

In this paper, a model is presented for predicting the phase modulation (PM) and amplitude modulation (AM) noise in bipolar junction transistor (BJT) amplifiers. The model correctly predicts the dependence of phase noise on the signal frequency (at a particular carrier offset frequency), explains the noise shaping of the phase noise about the signal frequency, and shows the functional dependence on the transistor parameters and the circuit parameters. Experimental studies on common emitter (CE) amplifiers have been used to validate the PM noise model at carrier frequencies between 10 and 100 MHz.

A photometric function of planetary surfaces for gourmets

NASA Astrophysics Data System (ADS)

Shkuratov, Yuriy; Korokhin, Viktor; Shevchenko, Vasilij; Mikhalchenko, Olga; Belskaya, Irina; Kaydash, Vadym; Videen, Gorden; Zubko, Evgenij; Velikodsky, Yuriy

2018-03-01

A new photometric model with small number of parameters is presented. The model is based on an assumption that there exist such surfaces for which spatial brightness variations caused by small topography undulations can be reproduced exactly by corresponding spatial variations of albedo. This indistinguishability results in a differential equation suggesting a new photometric function that generalizes, in particular, the Akimov disk-function. Our model provides excellent fits in a wide phase-angle range for integral observations of asteroids of different albedos. We also carried out fitting to integral observations of the Moon and Mercury, confirming difficulties in describing Mercury's phase function at large phase angles, which were also found for the Hapke model. Comparisons of global latitude and longitude trends with our model calculations have shown good coincidence for the Moon. To retrieve the lunar trends, we use the phase-ratio technique, applying it to our telescope observations. Mapping the model parameters using LROC WAC data were carried out for a region comprising the Reiner Gamma formation. This mapping allows us to calculate phase-ratio images of the region, showing at large phase angles systematically steeper phase curves of young craters and smaller steepness for the very Reiner Gamma formation.

Modeling of Focused Acoustic Field of a Concave Multi-annular Phased Array Using Spheroidal Beam Equation

NASA Astrophysics Data System (ADS)

Yu, Li-Li; Shou, Wen-De; Hui, Chun

2012-02-01

A theoretical model of focused acoustic field for a multi-annular phased array on concave spherical surface is proposed. In this model, the source boundary conditions of the spheroidal beam equation (SBE) for multi-annular phased elements are studied. Acoustic field calculated by the dynamic focusing model of SBE is compared with numerical results of the O'Neil and Khokhlov—Zabolotskaya—Kuznetsov (KZK) model, respectively. Axial dynamic focusing and the harmonic effects are presented. The results demonstrate that the dynamic focusing model of SBE is good valid for a concave multi-annular phased array with a large aperture angle in the linear or nonlinear field.

Assessing the feasibility, cost, and utility of developing models of human performance in aviation

NASA Technical Reports Server (NTRS)

Stillwell, William

1990-01-01

The purpose of the effort outlined in this briefing was to determine whether models exist or can be developed that can be used to address aviation automation issues. A multidisciplinary team has been assembled to undertake this effort, including experts in human performance, team/crew, and aviation system modeling, and aviation data used as input to such models. The project consists of two phases, a requirements assessment phase that is designed to determine the feasibility and utility of alternative modeling efforts, and a model development and evaluation phase that will seek to implement the plan (if a feasible cost effective development effort is found) that results from the first phase. Viewgraphs are given.

A fracture mechanics study of the phase separating planar electrodes: Phase field modeling and analytical results

NASA Astrophysics Data System (ADS)

Haftbaradaran, H.; Maddahian, A.; Mossaiby, F.

2017-05-01

It is well known that phase separation could severely intensify mechanical degradation and expedite capacity fading in lithium-ion battery electrodes during electrochemical cycling. Experiments have frequently revealed that such degradation effects could be substantially mitigated via reducing the electrode feature size to the nanoscale. The purpose of this work is to present a fracture mechanics study of the phase separating planar electrodes. To this end, a phase field model is utilized to predict how phase separation affects evolution of the solute distribution and stress profile in a planar electrode. Behavior of the preexisting flaws in the electrode in response to the diffusion induced stresses is then examined via computing the time dependent stress intensity factor arising at the tip of flaws during both the insertion and extraction half-cycles. Further, adopting a sharp-interphase approximation of the system, a critical electrode thickness is derived below which the phase separating electrode becomes flaw tolerant. Numerical results of the phase field model are also compared against analytical predictions of the sharp-interphase model. The results are further discussed with reference to the available experiments in the literature. Finally, some of the limitations of the model are cautioned.

Improving Mixed-phase Cloud Parameterization in Climate Model with the ACRF Measurements

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

Wang, Zhien

Mixed-phase cloud microphysical and dynamical processes are still poorly understood, and their representation in GCMs is a major source of uncertainties in overall cloud feedback in GCMs. Thus improving mixed-phase cloud parameterizations in climate models is critical to reducing the climate forecast uncertainties. This study aims at providing improved knowledge of mixed-phase cloud properties from the long-term ACRF observations and improving mixed-phase clouds simulations in the NCAR Community Atmosphere Model version 5 (CAM5). The key accomplishments are: 1) An improved retrieval algorithm was developed to provide liquid droplet concentration for drizzling or mixed-phase stratiform clouds. 2) A new ice concentrationmore » retrieval algorithm for stratiform mixed-phase clouds was developed. 3) A strong seasonal aerosol impact on ice generation in Arctic mixed-phase clouds was identified, which is mainly attributed to the high dust occurrence during the spring season. 4) A suite of multi-senor algorithms was applied to long-term ARM observations at the Barrow site to provide a complete dataset (LWC and effective radius profile for liquid phase, and IWC, Dge profiles and ice concentration for ice phase) to characterize Arctic stratiform mixed-phase clouds. This multi-year stratiform mixed-phase cloud dataset provides necessary information to study related processes, evaluate model stratiform mixed-phase cloud simulations, and improve model stratiform mixed-phase cloud parameterization. 5). A new in situ data analysis method was developed to quantify liquid mass partition in convective mixed-phase clouds. For the first time, we reliably compared liquid mass partitions in stratiform and convective mixed-phase clouds. Due to the different dynamics in stratiform and convective mixed-phase clouds, the temperature dependencies of liquid mass partitions are significantly different due to much higher ice concentrations in convective mixed phase clouds. 6) Systematic evaluations of mixed-phase cloud simulations by CAM5 were performed. Measurement results indicate that ice concentrations control stratiform mixed-phase cloud properties. The improvement of ice concentration parameterization in the CAM5 was done in close collaboration with Dr. Xiaohong Liu, PNNL (now at University of Wyoming).« less

The Pliocene Model Intercomparison Project (PlioMIP) Phase 2: scientific objectives and experimental design

NASA Astrophysics Data System (ADS)

Haywood, Alan M.; Dowsett, Harry J.; Dolan, Aisling M.; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark A.; Hunter, Stephen J.; Lunt, Daniel J.; Pound, Matthew; Salzmann, Ulrich

2016-03-01

The Pliocene Model Intercomparison Project (PlioMIP) is a co-ordinated international climate modelling initiative to study and understand climate and environments of the Late Pliocene, as well as their potential relevance in the context of future climate change. PlioMIP examines the consistency of model predictions in simulating Pliocene climate and their ability to reproduce climate signals preserved by geological climate archives. Here we provide a description of the aim and objectives of the next phase of the model intercomparison project (PlioMIP Phase 2), and we present the experimental design and boundary conditions that will be utilized for climate model experiments in Phase 2. Following on from PlioMIP Phase 1, Phase 2 will continue to be a mechanism for sampling structural uncertainty within climate models. However, Phase 1 demonstrated the requirement to better understand boundary condition uncertainties as well as uncertainty in the methodologies used for data-model comparison. Therefore, our strategy for Phase 2 is to utilize state-of-the-art boundary conditions that have emerged over the last 5 years. These include a new palaeogeographic reconstruction, detailing ocean bathymetry and land-ice surface topography. The ice surface topography is built upon the lessons learned from offline ice sheet modelling studies. Land surface cover has been enhanced by recent additions of Pliocene soils and lakes. Atmospheric reconstructions of palaeo-CO2 are emerging on orbital timescales, and these are also incorporated into PlioMIP Phase 2. New records of surface and sea surface temperature change are being produced that will be more temporally consistent with the boundary conditions and forcings used within models. Finally we have designed a suite of prioritized experiments that tackle issues surrounding the basic understanding of the Pliocene and its relevance in the context of future climate change in a discrete way.

The Pliocene Model Intercomparison Project (PlioMIP) Phase 2: Scientific Objectives and Experimental Design

NASA Technical Reports Server (NTRS)

Haywood, Alan M.; Dowsett, Harry J.; Dolan, Aisling M.; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark A.; Hunter, Stephen J.; Lunt, Daniel J.; Pound, Matthew;

Phase 1 Free Air CO2 Enrichment Model-Data Synthesis (FACE-MDS): Meteorological Data

DOE Data Explorer

Norby, R. J.; Oren, R.; Boden, T. A. [Carbon Dioxide Information Analysis Center (CDIAC), Oak Ridge National Laboratory (ORNL); De Kauwe, M. G.; Kim, D.; Medlyn, B. E.; Riggs, J. S.; Tharp, M. L.; Walker, A. P.; Yang, B.; Zaehle, S.

2015-01-01

These datasets comprise the meteorological, CO2 and N deposition data used to run models for the Duke and Oak Ridge FACE experiments. Phase 1 datasets are reproduced here for posterity and reproducibility although these meteorological datasets are superseded by the Phase 2 datasets. If you would like to use the meteorological datasets to run your own model or for any other purpose please use the Phase 2 datasets.

Understanding the contribution of phytoplankton phase functions to uncertainties in the water colour signal.

PubMed

Lain, Lisl Robertson; Bernard, Stewart; Matthews, Mark W

2017-02-20

The accurate description of a water body's volume scattering function (VSF), and hence its phase functions, is critical to the determination of the constituent inherent optical properties (IOPs), the associated spectral water-leaving reflectance, and consequently the retrieval of phytoplankton functional type (PFT) information. The equivalent algal populations (EAP) model has previously been evaluated for phytoplankton-dominated waters, and offers the ability to provide phytoplankton population-specific phase functions, unveiling a new opportunity to further understanding of the causality of the PFT signal. This study presents and evaluates the wavelength dependent, spectrally variable EAP particle phase functions and the subsequent effects on water-leaving reflectance. Comparisons are made with frequently used phase function approximations e.g. the Fournier Forand formulation, as well as with phase functions inferred from measured VSFs in coastal waters. Relative differences in shape and magnitude are quantified. Reflectance modelled with the EAP phase functions is then compared against measured reflectance data from phytoplankton-dominated waters. Further examples of modelled phytoplankton-dominated waters are discussed with reference to choice of phase function for two PFTs (eukaryote and prokaryote) across a range of biomass. Finally a demonstration of the sensitivity of reflectance due to the choice of phase function is presented. The EAP model phase functions account for both spectral and angular variability in phytoplankton backscattering i.e. they display variability which is both spectral and shape-related. It is concluded that phase functions modelled in this way are necessary for investigating the effects of assemblage variability on the ocean colour signal, and should be considered for model closure even in relatively low scattering conditions where phytoplankton dominate the IOPs.

Micromechanics and constitutive models for soft active materials with phase evolution

NASA Astrophysics Data System (ADS)

Wang, Binglian

Soft active materials, such as shape memory polymers, liquid crystal elastomers, soft tissues, gels etc., are materials that can deform largely in response to external stimuli. Micromechanics analysis of heterogeneous materials based on finite element method is a typically numerical way to study the thermal-mechanical behaviors of soft active materials with phase evolution. While the constitutive models that can precisely describe the stress and strain fields of materials in the process of phase evolution can not be found in the databases of some commercial finite element analysis (FEA) tools such as ANSYS or Abaqus, even the specific constitutive behavior for each individual phase either the new formed one or the original one has already been well-known. So developing a computationally efficient and general three dimensional (3D) thermal-mechanical constitutive model for soft active materials with phase evolution which can be implemented into FEA is eagerly demanded. This paper first solved this problem theoretically by recording the deformation history of each individual phase in the phase evolution process, and adopted the idea of effectiveness by regarding all the new formed phase as an effective phase with an effective deformation to make this theory computationally efficient. A user material subroutine (UMAT) code based on this theoretical constitutive model has been finished in this work which can be added into the material database in Abaqus or ANSYS and can be easily used for most soft active materials with phase evolution. Model validation also has been done through comparison between micromechanical FEA and experiments on a particular composite material, shape memory elastomeric composite (SMEC) which consisted of an elastomeric matrix and the crystallizable fibre. Results show that the micromechanics and the constitutive models developed in this paper for soft active materials with phase evolution are completely relied on.

Improving Secondary Organic Aerosol (SOA) Models using Global Sensitivity Analysis and by Comparison to Chamber Data.

NASA Astrophysics Data System (ADS)

Miller, D. O.; Brune, W. H.

2017-12-01

Accurate estimates of secondary organic aerosol (SOA) from atmospheric models is a major research challenge due to the complexity of the chemical and physical processes involved in the SOA formation and continuous aging. The primary uncertainties of SOA models include those associated with the formation of gas-phase products, the conversion between gas phase and particle phase, the aging mechanisms of SOA, and other processes related to the heterogeneous and particle-phase reactions. To address this challenge, we us a modular modeling framework that combines both simple and near-explicit gas-phase reactions and a two-dimensional volatility basis set (2D-VBS) to simulate the formation and evolution of SOA. Global sensitivity analysis is used to assess the relative importance of the model input parameters. In addition, the model is compared to the measurements from the Focused Isoprene eXperiment at the California Institute of Technology (FIXCIT).

Thermal modeling of phase change solidification in thermal control devices including natural convection effects

NASA Technical Reports Server (NTRS)

Ukanwa, A. O.; Stermole, F. J.; Golden, J. O.

1972-01-01

Natural convection effects in phase change thermal control devices were studied. A mathematical model was developed to evaluate natural convection effects in a phase change test cell undergoing solidification. Although natural convection effects are minimized in flight spacecraft, all phase change devices are ground tested. The mathematical approach to the problem was to first develop a transient two-dimensional conduction heat transfer model for the solidification of a normal paraffin of finite geometry. Next, a transient two-dimensional model was developed for the solidification of the same paraffin by a combined conduction-natural-convection heat transfer model. Throughout the study, n-hexadecane (n-C16H34) was used as the phase-change material in both the theoretical and the experimental work. The models were based on the transient two-dimensional finite difference solutions of the energy, continuity, and momentum equations.

Effect of atomic disorder on the magnetic phase separation.

PubMed

Groshev, A G; Arzhnikov, A K

2018-05-10

The effect of disorder on the magnetic phase separation between the antiferromagnetic and incommensurate helical [Formula: see text] and [Formula: see text] phases is investigated. The study is based on the quasi-two-dimensional single-band Hubbard model in the presence of atomic disorder (the [Formula: see text] Anderson-Hubbard model). A model of binary alloy disorder is considered, in which the disorder is determined by the difference in energy between the host and impurity atomic levels at a fixed impurity concentration. The problem is solved within the theory of functional integration in static approximation. Magnetic phase diagrams are obtained as functions of the temperature, the number of electrons and impurity concentration with allowance for phase separation. It is shown that for the model parameters chosen, the disorder caused by impurities whose atomic-level energy is greater than that of the host atomic levels, leads to qualitative changes in the phase diagram of the impurity-free system. In the opposite case, only quantitative changes occur. The peculiarities of the effect of disorder on the phase separation regions of the quasi-two-dimensional Hubbard model are discussed.

Gravitation waves from QCD and electroweak phase transitions

NASA Astrophysics Data System (ADS)

Chen, Yidian; Huang, Mei; Yan, Qi-Shu

2018-05-01

We investigate the gravitation waves produced from QCD and electroweak phase transitions in the early universe by using a 5-dimension holographic QCD model and a holographic technicolor model. The dynamical holographic QCD model is to describe the pure gluon system, where a first order confinement-deconfinement phase transition can happen at the critical temperature around 250 MeV. The minimal holographic technicolor model is introduced to model the strong dynamics of electroweak, it can give a first order electroweak phase transition at the critical temperature around 100-360 GeV. We find that for both GW signals produced from QCD and EW phase transitions, in the peak frequency region, the dominant contribution comes from the sound waves, while away from the peak frequency region the contribution from the bubble collision is dominant. The peak frequency of gravitation wave determined by the QCD phase transition is located around 10-7 Hz which is within the detectability of FAST and SKA, and the peak frequency of gravitational wave predicted by EW phase transition is located at 0.002 - 0.007 Hz, which might be detectable by BBO, DECIGO, LISA and ELISA.

Phase-plane analysis of the totally asymmetric simple exclusion process with binding kinetics and switching between antiparallel lanes

PubMed Central

Kuan, Hui-Shun; Betterton, Meredith D.

2016-01-01

Motor protein motion on biopolymers can be described by models related to the totally asymmetric simple exclusion process (TASEP). Inspired by experiments on the motion of kinesin-4 motors on antiparallel microtubule overlaps, we analyze a model incorporating the TASEP on two antiparallel lanes with binding kinetics and lane switching. We determine the steady-state motor density profiles using phase-plane analysis of the steady-state mean field equations and kinetic Monte Carlo simulations. We focus on the density-density phase plane, where we find an analytic solution to the mean field model. By studying the phase-space flows, we determine the model’s fixed points and their changes with parameters. Phases previously identified for the single-lane model occur for low switching rate between lanes. We predict a multiple coexistence phase due to additional fixed points that appear as the switching rate increases: switching moves motors from the higher-density to the lower-density lane, causing local jamming and creating multiple domain walls. We determine the phase diagram of the model for both symmetric and general boundary conditions. PMID:27627345

Effect of atomic disorder on the magnetic phase separation

NASA Astrophysics Data System (ADS)

Groshev, A. G.; Arzhnikov, A. K.

2018-05-01

The effect of disorder on the magnetic phase separation between the antiferromagnetic and incommensurate helical and phases is investigated. The study is based on the quasi-two-dimensional single-band Hubbard model in the presence of atomic disorder (the Anderson–Hubbard model). A model of binary alloy disorder is considered, in which the disorder is determined by the difference in energy between the host and impurity atomic levels at a fixed impurity concentration. The problem is solved within the theory of functional integration in static approximation. Magnetic phase diagrams are obtained as functions of the temperature, the number of electrons and impurity concentration with allowance for phase separation. It is shown that for the model parameters chosen, the disorder caused by impurities whose atomic-level energy is greater than that of the host atomic levels, leads to qualitative changes in the phase diagram of the impurity-free system. In the opposite case, only quantitative changes occur. The peculiarities of the effect of disorder on the phase separation regions of the quasi-two-dimensional Hubbard model are discussed.

Phase diagram for a two-dimensional, two-temperature, diffusive XY model.

PubMed

Reichl, Matthew D; Del Genio, Charo I; Bassler, Kevin E

2010-10-01

Using Monte Carlo simulations, we determine the phase diagram of a diffusive two-temperature conserved order parameter XY model. When the two temperatures are equal the system becomes the equilibrium XY model with the continuous Kosterlitz-Thouless (KT) vortex-antivortex unbinding phase transition. When the two temperatures are unequal the system is driven by an energy flow from the higher temperature heat-bath to the lower temperature one and reaches a far-from-equilibrium steady state. We show that the nonequilibrium phase diagram contains three phases: A homogenous disordered phase and two phases with long range, spin texture order. Two critical lines, representing continuous phase transitions from a homogenous disordered phase to two phases of long range order, meet at the equilibrium KT point. The shape of the nonequilibrium critical lines as they approach the KT point is described by a crossover exponent φ=2.52±0.05. Finally, we suggest that the transition between the two phases with long-range order is first-order, making the KT-point where all three phases meet a bicritical point.

Aerothermal modeling program, phase 2

NASA Technical Reports Server (NTRS)

Mongia, H. C.; Patankar, S. V.; Murthy, S. N. B.; Sullivan, J. P.; Samuelsen, G. S.

1985-01-01

The main objectives of the Aerothermal Modeling Program, Phase 2 are: to develop an improved numerical scheme for incorporation in a 3-D combustor flow model; to conduct a benchmark quality experiment to study the interaction of a primary jet with a confined swirling crossflow and to assess current and advanced turbulence and scalar transport models; and to conduct experimental evaluation of the air swirler interaction with fuel injectors, assessments of current two-phase models, and verification the improved spray evaporation/dispersion models.

A Simplified Micromechanical Modeling Approach to Predict the Tensile Flow Curve Behavior of Dual-Phase Steels

NASA Astrophysics Data System (ADS)

Nanda, Tarun; Kumar, B. Ravi; Singh, Vishal

2017-11-01

Micromechanical modeling is used to predict material's tensile flow curve behavior based on microstructural characteristics. This research develops a simplified micromechanical modeling approach for predicting flow curve behavior of dual-phase steels. The existing literature reports on two broad approaches for determining tensile flow curve of these steels. The modeling approach developed in this work attempts to overcome specific limitations of the existing two approaches. This approach combines dislocation-based strain-hardening method with rule of mixtures. In the first step of modeling, `dislocation-based strain-hardening method' was employed to predict tensile behavior of individual phases of ferrite and martensite. In the second step, the individual flow curves were combined using `rule of mixtures,' to obtain the composite dual-phase flow behavior. To check accuracy of proposed model, four distinct dual-phase microstructures comprising of different ferrite grain size, martensite fraction, and carbon content in martensite were processed by annealing experiments. The true stress-strain curves for various microstructures were predicted with the newly developed micromechanical model. The results of micromechanical model matched closely with those of actual tensile tests. Thus, this micromechanical modeling approach can be used to predict and optimize the tensile flow behavior of dual-phase steels.

Hybrid-dimensional modelling of two-phase flow through fractured porous media with enhanced matrix fracture transmission conditions

NASA Astrophysics Data System (ADS)

Brenner, Konstantin; Hennicker, Julian; Masson, Roland; Samier, Pierre

2018-03-01

In this work, we extend, to two-phase flow, the single-phase Darcy flow model proposed in [26], [12] in which the (d - 1)-dimensional flow in the fractures is coupled with the d-dimensional flow in the matrix. Three types of so called hybrid-dimensional two-phase Darcy flow models are proposed. They all account for fractures acting either as drains or as barriers, since they allow pressure jumps at the matrix-fracture interfaces. The models also permit to treat gravity dominated flow as well as discontinuous capillary pressure at the material interfaces. The three models differ by their transmission conditions at matrix fracture interfaces: while the first model accounts for the nonlinear two-phase Darcy flux conservations, the second and third ones are based on the linear single phase Darcy flux conservations combined with different approximations of the mobilities. We adapt the Vertex Approximate Gradient (VAG) scheme to this problem, in order to account for anisotropy and heterogeneity aspects as well as for applicability on general meshes. Several test cases are presented to compare our hybrid-dimensional models to the generic equi-dimensional model, in which fractures have the same dimension as the matrix, leading to deep insight about the quality of the proposed reduced models.

Evaluation of sticky traps for adult Aedes mosquitoes in Malaysia: a potential monitoring and surveillance tool for the efficacy of control strategies.

PubMed

Roslan, Muhammad Aidil; Ngui, Romano; Vythilingam, Indra; Sulaiman, Wan Yusoff Wan

2017-12-01

The present study compared the performance of sticky traps in order to identify the most effective and practical trap for capturing Aedes aegypti and Aedes albopictus mosquitoes. Three phases were conducted in the study, with Phase 1 evaluating the five prototypes (Models A, B, C, D, and E) of sticky trap release-and-recapture using two groups of mosquito release numbers (five and 50) that were released in each replicate. Similarly, Phase 2 compared the performance between Model E and the classical ovitrap that had been modified (sticky ovitrap), using five and 50 mosquito release numbers. Further assessment of both traps was carried out in Phase 3, in which both traps were installed in nine sampling grids. Results from Phase 1 showed that Model E was the trap that recaptured higher numbers of mosquitoes when compared to Models A, B, C, and D. Further assessment between Model E and the modified sticky ovitrap (known as Model F) found that Model F outperformed Model E in both Phases 2 and 3. Thus, Model F was selected as the most effective and practical sticky trap, which could serve as an alternative tool for monitoring and controlling dengue vectors in Malaysia. © 2017 The Society for Vector Ecology.

Implementing team huddles in small rural hospitals: How does the Kotter model of change apply?

PubMed

Baloh, Jure; Zhu, Xi; Ward, Marcia M

2017-12-17

To examine how the process of change prescribed in Kotter's change model applies in implementing team huddles, and to assess the impact of the execution of early change phases on change success in later phases. Kotter's model can help to guide hospital leaders to implement change and potentially to improve success rates. However, the model is under studied, particularly in health care. We followed eight hospitals implementing team huddles for 2 years, interviewing the change teams quarterly to inquire about implementation progress. We assessed how the hospitals performed in the three overarching phases of the Kotter model, and examined whether performance in the initial phase influenced subsequent performance. In half of the hospitals, change processes were congruent with Kotter's model, where performance in the initial phase influenced their success in subsequent phases. In other hospitals, change processes were incongruent with the model, and their success depended on implementation scope and the strategies employed. We found mixed support for the Kotter model. It better fits implementation that aims to spread to multiple hospital units. When the scope is limited, changes can be successful even when steps are skipped. Kotter's model can be a useful guide for nurse managers implementing changes. © 2017 John Wiley & Sons Ltd.

Single-arm phase II trial design under parametric cure models.

PubMed

Wu, Jianrong

2015-01-01

The current practice of designing single-arm phase II survival trials is limited under the exponential model. Trial design under the exponential model may not be appropriate when a portion of patients are cured. There is no literature available for designing single-arm phase II trials under the parametric cure model. In this paper, a test statistic is proposed, and a sample size formula is derived for designing single-arm phase II trials under a class of parametric cure models. Extensive simulations showed that the proposed test and sample size formula perform very well under different scenarios. Copyright © 2015 John Wiley & Sons, Ltd.

Preliminary Phase Field Computational Model Development

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

Li, Yulan; Hu, Shenyang Y.; Xu, Ke

2014-12-15

This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus ofmore » the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in experiments, special experimental methods were devised to create similar boundary conditions in the iron films. Preliminary MFM studies conducted on single and polycrystalline iron films with small sub-areas created with focused ion beam have correlated quite well qualitatively with phase-field simulations. However, phase-field model dimensions are still small relative to experiments thus far. We are in the process of increasing the size of the models and decreasing specimen size so both have identical dimensions. Ongoing research is focused on validation of the phase-field model. Validation is being accomplished through comparison with experimentally obtained MFM images (in progress), and planned measurements of major hysteresis loops and first order reversal curves. Extrapolation of simulation sizes to represent a more stochastic bulk-like system will require sampling of various simulations (i.e., with single non-magnetic defect, single magnetic defect, single grain boundary, single dislocation, etc.) with distributions of input parameters. These outputs can then be compared to laboratory magnetic measurements and ultimately to simulate magnetic Barkhausen noise signals.« less

Formally verifying human–automation interaction as part of a system model: limitations and tradeoffs

PubMed Central

Bass, Ellen J.

2011-01-01

Both the human factors engineering (HFE) and formal methods communities are concerned with improving the design of safety-critical systems. This work discusses a modeling effort that leveraged methods from both fields to perform formal verification of human–automation interaction with a programmable device. This effort utilizes a system architecture composed of independent models of the human mission, human task behavior, human-device interface, device automation, and operational environment. The goals of this architecture were to allow HFE practitioners to perform formal verifications of realistic systems that depend on human–automation interaction in a reasonable amount of time using representative models, intuitive modeling constructs, and decoupled models of system components that could be easily changed to support multiple analyses. This framework was instantiated using a patient controlled analgesia pump in a two phased process where models in each phase were verified using a common set of specifications. The first phase focused on the mission, human-device interface, and device automation; and included a simple, unconstrained human task behavior model. The second phase replaced the unconstrained task model with one representing normative pump programming behavior. Because models produced in the first phase were too large for the model checker to verify, a number of model revisions were undertaken that affected the goals of the effort. While the use of human task behavior models in the second phase helped mitigate model complexity, verification time increased. Additional modeling tools and technological developments are necessary for model checking to become a more usable technique for HFE. PMID:21572930

A partially coupled, fraction-by-fraction modelling approach to the subsurface migration of gasoline spills

NASA Astrophysics Data System (ADS)

Fagerlund, F.; Niemi, A.

2007-01-01

The subsurface spreading behaviour of gasoline, as well as several other common soil- and groundwater pollutants (e.g. diesel, creosote), is complicated by the fact that it is a mixture of hundreds of different constituents, behaving differently with respect to e.g. dissolution, volatilisation, adsorption and biodegradation. Especially for scenarios where the non-aqueous phase liquid (NAPL) phase is highly mobile, such as for sudden spills in connection with accidents, it is necessary to simultaneously analyse the migration of the NAPL and its individual components in order to assess risks and environmental impacts. Although a few fully coupled, multi-phase, multi-constituent models exist, such models are highly complex and may be time consuming to use. A new, somewhat simplified methodology for modelling the subsurface migration of gasoline while taking its multi-constituent nature into account is therefore introduced here. Constituents with similar properties are grouped together into eight fractions. The migration of each fraction in the aqueous and gaseous phases as well as adsorption is modelled separately using a single-constituent multi-phase flow model, while the movement of the free-phase gasoline is essentially the same for all fractions. The modelling is done stepwise to allow updating of the free-phase gasoline composition at certain time intervals. The output is the concentration of the eight different fractions in the aqueous, gaseous, free gasoline and solid phases with time. The approach is evaluated by comparing it to a fully coupled multi-phase, multi-constituent numerical simulator in the modelling of a typical accident-type spill scenario, based on a tanker accident in northern Sweden. Here the PCFF method produces results similar to those of the more sophisticated, fully coupled model. The benefit of the method is that it is easy to use and can be applied to any single-constituent multi-phase numerical simulator, which in turn may have different strengths in incorporating various processes. The results demonstrate that the different fractions have significantly different migration behaviours and although the methodology involves some simplifications, it is a considerable improvement compared to modelling the gasoline constituents completely individually or as one single mixture.

Modeling and impacts of the latent heat of phase change and specific heat for phase change materials

NASA Astrophysics Data System (ADS)

Scoggin, J.; Khan, R. S.; Silva, H.; Gokirmak, A.

2018-05-01

We model the latent heats of crystallization and fusion in phase change materials with a unified latent heat of phase change, ensuring energy conservation by coupling the heat of phase change with amorphous and crystalline specific heats. We demonstrate the model with 2-D finite element simulations of Ge2Sb2Te5 and find that the heat of phase change increases local temperature up to 180 K in 300 nm × 300 nm structures during crystallization, significantly impacting grain distributions. We also show in electrothermal simulations of 45 nm confined and 10 nm mushroom cells that the higher amorphous specific heat predicted by this model increases nucleation probability at the end of reset operations. These nuclei can decrease set time, leading to variability, as demonstrated for the mushroom cell.

Modeling of metastable phase formation diagrams for sputtered thin films.

PubMed

Chang, Keke; Music, Denis; To Baben, Moritz; Lange, Dennis; Bolvardi, Hamid; Schneider, Jochen M

2016-01-01

A method to model the metastable phase formation in the Cu-W system based on the critical surface diffusion distance has been developed. The driver for the formation of a second phase is the critical diffusion distance which is dependent on the solubility of W in Cu and on the solubility of Cu in W. Based on comparative theoretical and experimental data, we can describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation. Metastable phase formation diagrams for Cu-W and Cu-V thin films are predicted and validated by combinatorial magnetron sputtering experiments. The correlative experimental and theoretical research strategy adopted here enables us to efficiently describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation during magnetron sputtering.

Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.

Optimal Number and Allocation of Data Collection Points for Linear Spline Growth Curve Modeling: A Search for Efficient Designs

ERIC Educational Resources Information Center

Wu, Wei; Jia, Fan; Kinai, Richard; Little, Todd D.

2017-01-01

Spline growth modelling is a popular tool to model change processes with distinct phases and change points in longitudinal studies. Focusing on linear spline growth models with two phases and a fixed change point (the transition point from one phase to the other), we detail how to find optimal data collection designs that maximize the efficiency…

Prediction of U-Mo dispersion nuclear fuels with Al-Si alloy using artificial neural network

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

Susmikanti, Mike, E-mail: mike@batan.go.id; Sulistyo, Jos, E-mail: soj@batan.go.id

2014-09-30

Dispersion nuclear fuels, consisting of U-Mo particles dispersed in an Al-Si matrix, are being developed as fuel for research reactors. The equilibrium relationship for a mixture component can be expressed in the phase diagram. It is important to analyze whether a mixture component is in equilibrium phase or another phase. The purpose of this research it is needed to built the model of the phase diagram, so the mixture component is in the stable or melting condition. Artificial neural network (ANN) is a modeling tool for processes involving multivariable non-linear relationships. The objective of the present work is to developmore » code based on artificial neural network models of system equilibrium relationship of U-Mo in Al-Si matrix. This model can be used for prediction of type of resulting mixture, and whether the point is on the equilibrium phase or in another phase region. The equilibrium model data for prediction and modeling generated from experimentally data. The artificial neural network with resilient backpropagation method was chosen to predict the dispersion of nuclear fuels U-Mo in Al-Si matrix. This developed code was built with some function in MATLAB. For simulations using ANN, the Levenberg-Marquardt method was also used for optimization. The artificial neural network is able to predict the equilibrium phase or in the phase region. The develop code based on artificial neural network models was built, for analyze equilibrium relationship of U-Mo in Al-Si matrix.« less

Photometric properties of Ceres from telescopic observations using Dawn Framing Camera color filters

NASA Astrophysics Data System (ADS)

Reddy, Vishnu; Li, Jian-Yang; Gary, Bruce L.; Sanchez, Juan A.; Stephens, Robert D.; Megna, Ralph; Coley, Daniel; Nathues, Andreas; Le Corre, Lucille; Hoffmann, Martin

2015-11-01

The dwarf planet Ceres is likely differentiated similar to the terrestrial planets but with a water/ice dominated mantle and an aqueously altered crust. Detailed modeling of Ceres' phase function has never been performed to understand its surface properties. The Dawn spacecraft began orbital science operations at the dwarf planet in April 2015. We observed Ceres with flight spares of the seven Dawn Framing Camera color filters mounted on ground-based telescopes over the course of three years to model its phase function versus wavelength. Our analysis shows that the modeled geometric albedos derived from both the IAU HG model and the Hapke model are consistent with a flat and featureless spectrum of Ceres, although the values are ∼10% higher than previous measurements. Our models also suggest a wavelength dependence of Ceres' phase function. The IAU G-parameter and the Hapke single-particle phase function parameter, g, are both consistent with decreasing (shallower) phase slope with increasing wavelength. Such a wavelength dependence of phase function is consistent with reddening of spectral slope with increasing phase angle, or phase-reddening. This phase reddening is consistent with previous spectra of Ceres obtained at various phase angles archived in the literature, and consistent with the fact that the modeled geometric albedo spectrum of Ceres is the bluest of all spectra because it represents the spectrum at 0° phase angle. Ground-based FC color filter lightcurve data are consistent with HST albedo maps confirming that Ceres' lightcurve is dominated by albedo and not shape. We detected a positive correlation between 1.1-μm absorption band depth and geometric albedo suggesting brighter areas on Ceres have absorption bands that are deeper. We did not see the "extreme" slope values measured by Perna et al. (Perna, D., et al. [2015]. Astron. Astrophys. 575 (L1-6)), which they have attributed to "resurfacing episodes" on Ceres.

Phase diagram and criticality of the two-dimensional prisoner's dilemma model

NASA Astrophysics Data System (ADS)

Santos, M.; Ferreira, A. L.; Figueiredo, W.

2017-07-01

The stationary states of the prisoner's dilemma model are studied on a square lattice taking into account the role of a noise parameter in the decision-making process. Only first neighboring players—defectors and cooperators—are considered in each step of the game. Through Monte Carlo simulations we determined the phase diagrams of the model in the plane noise versus the temptation to defect for a large range of values of the noise parameter. We observed three phases: cooperators and defectors absorbing phases, and a coexistence phase between them. The phase transitions as well as the critical exponents associated with them were determined using both static and dynamical scaling laws.

A Model for Ferroelectric Phase Shifters

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R.; Qureshi, A. Haq

2000-01-01

Novel microwave phase shifters consisting of coupled microstrip lines on thin ferroelectric films have been demonstrated recently. A theoretical model useful for predicting the propagation characteristics (insertion phase shift, dielectric loss, impedance, and bandwidth) is presented here. The model is based on a variational solution for line capacitance and coupled strip transmission line theory.

The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations

NASA Astrophysics Data System (ADS)

Paula Leite, Rodolfo; Freitas, Rodrigo; Azevedo, Rodolfo; de Koning, Maurice

2016-11-01

The Uhlenbeck-Ford (UF) model was originally proposed for the theoretical study of imperfect gases, given that all its virial coefficients can be evaluated exactly, in principle. Here, in addition to computing the previously unknown coefficients B11 through B13, we assess its applicability as a reference system in fluid-phase free-energy calculations using molecular simulation techniques. Our results demonstrate that, although the UF model itself is too soft, appropriately scaled Uhlenbeck-Ford (sUF) models provide robust reference systems that allow accurate fluid-phase free-energy calculations without the need for an intermediate reference model. Indeed, in addition to the accuracy with which their free energies are known and their convenient scaling properties, the fluid is the only thermodynamically stable phase for a wide range of sUF models. This set of favorable properties may potentially put the sUF fluid-phase reference systems on par with the standard role that harmonic and Einstein solids play as reference systems for solid-phase free-energy calculations.

Universality in the Self Organized Critical behavior of a cellular model of superconducting vortex dynamics

NASA Astrophysics Data System (ADS)

Sun, Yudong; Vadakkan, Tegy; Bassler, Kevin

2007-03-01

We study the universality and robustness of variants of the simple model of superconducting vortex dynamics first introduced by Bassler and Paczuski in Phys. Rev. Lett. 81, 3761 (1998). The model is a coarse-grained model that captures the essential features of the plastic vortex motion. It accounts for the repulsive interaction between vortices, the pining of vortices at quenched disordered locations in the material, and the over-damped dynamics of the vortices that leads to tearing of the flux line lattice. We report the results of extensive simulations of the critical ``Bean state" dynamics of the model. We find a phase diagram containing four distinct phases of dynamical behavior, including two phases with distinct Self Organized Critical (SOC) behavior. Exponents describing the avalanche scaling behavior in the two SOC phases are determined using finite-size scaling. The exponents are found to be robust within each phase and for different variants of the model. The difference of the scaling behavior in the two phases is also observed in the morphology of the avalanches.

Observational test of empirical magnetopause location models using geosynchronous satellite data

NASA Astrophysics Data System (ADS)

Park, Eunsu; Moon, Y.-J.; Lee, Kangjin

2016-11-01

In this study, we identify 123 geosynchronous magnetopause crossings using geosynchronous satellite observation data from 1996 to 2010 as well as make an observational test of magnetopause location models using the identified events. For this, we consider three models: Petrinec and Russell (1996), Shue et al. (1998), and Lin et al. (2010). To evaluate the models, we estimate a probability of detection (PoD) and a critical success index (CSI) as a function of year. To examine the effect of solar cycle phase, we consider three different time periods: (1) ascending phase (1996-1999), (2) maximum phase (2000-2002), and (3) descending phase (2003-2008). Major results from this study are as follows. First, the PoD values of all models range from 0.4 to 0.8 for the most of years. Second, the PoD values of Lin et al. (2010) are noticeably higher than those of the other models. Third, the CSI values of all models range from 0.1 to 0.3, and those of Shue et al. (1998) are slightly higher than those of the other models. Fourth, the predicted magnetopause radii based on Lin et al.(2010) well match the observed ones within 1 Earth radius, while those on Shue et al. (1998) overestimate the observed ones by about 2 Earth radii. Fifth, the PoD and critical success index (CSI) values of all the models are better for the solar maximum phase than those for the other phases, implying that the models are more optimized for the phase.

Swelling equilibrium of dentin adhesive polymers formed on the water-adhesive phase boundary: Experiments and micromechanical model

PubMed Central

Misra, Anil; Parthasarathy, Ranganathan; Ye, Qiang; Singh, Viraj; Spencer, Paulette

2013-01-01

During their application to the wet, oral environment, dentin adhesives can experience phase separation and composition change which can compromise the quality of the hybrid layer formed at the dentin-adhesive interface. The chemical composition of polymer phases formed in the hybrid layer can be represented using a ternary water-adhesive phase diagram. In this paper, these polymer phases have been characterized using a suite of mechanical tests and swelling experiments. The experimental results were evaluated using granular micromechanics based model that incorporates poro-mechanical effects and polymer-solvent thermodynamics. The variation of the model parameters and model-predicted polymer properties has been studied as a function of composition along the phase boundary. The resulting structure-property correlations provide insight into interactions occurring at the molecular level in the saturated polymer system. These correlations can be used for modeling the mechanical behavior of hybrid layer, and are expected to aid in the design and improvement of water-compatible dentin adhesive polymers. PMID:24076070

Experiment evaluates ocean models and data assimiliation in the Gulf Stream

NASA Astrophysics Data System (ADS)

Willems, Robert C.; Glenn, S. M.; Crowley, M. F.; Malanotte-Rizzoli, P.; Young, R. E.; Ezer, T.; Mellor, G. L.; Arango, H. G.; Robinson, A. R.; Lai, C.-C. A.

Using data sets of known quality as the basis for comparison, a recent experiment explored the Gulf Stream Region at 27°-47°N and 80°-50°W to assess the nowcast/forecast capability of specific ocean models and the impact of data assimilation. Scientists from five universities and the Naval Research Laboratory/Stennis Space Center participated in the Data Assimilation and Model Evaluation Experiment (DAMEÉ-GSR).DAMEÉ-GSR was based on case studies, each successively more complex, and was divided into three phases using case studies (data) from 1987 and 1988. Phase I evaluated models' forecast capability using common initial conditions and comparing model forecast fields with observational data at forecast time over a 2-week period. Phase II added data assimilation and assessed its impact on forecast capability, using the same case studies as in phase I, and phase III added a 2-month case study overlapping some periods in Phases I and II.

A class of all digital phase locked loops - Modeling and analysis

NASA Technical Reports Server (NTRS)

Reddy, C. P.; Gupta, S. C.

1973-01-01

An all digital phase locked loop which tracks the phase of the incoming signal once per carrier cycle is proposed. The different elements and their functions, and the phase lock operation are explained in detail. The general digital loop operation is governed by a nonlinear difference equation from which a suitable model is developed. The lock range for the general model is derived. The performance of the digital loop for phase step and frequency step inputs for different levels of quantization without loop filter are studied. The analytical results are checked by simulating the actual system on the digital computer.

Modeling quiescent phase transport of air bubbles induced by breaking waves

NASA Astrophysics Data System (ADS)

Shi, Fengyan; Kirby, James T.; Ma, Gangfeng

Simultaneous modeling of both the acoustic phase and quiescent phase of breaking wave-induced air bubbles involves a large range of length scales from microns to meters and time scales from milliseconds to seconds, and thus is computational unaffordable in a surfzone-scale computational domain. In this study, we use an air bubble entrainment formula in a two-fluid model to predict air bubble evolution in the quiescent phase in a breaking wave event. The breaking wave-induced air bubble entrainment is formulated by connecting the shear production at the air-water interface and the bubble number intensity with a certain bubble size spectra observed in laboratory experiments. A two-fluid model is developed based on the partial differential equations of the gas-liquid mixture phase and the continuum bubble phase, which has multiple size bubble groups representing a polydisperse bubble population. An enhanced 2-DV VOF (Volume of Fluid) model with a k - ɛ turbulence closure is used to model the mixture phase. The bubble phase is governed by the advection-diffusion equations of the gas molar concentration and bubble intensity for groups of bubbles with different sizes. The model is used to simulate air bubble plumes measured in laboratory experiments. Numerical results indicate that, with an appropriate parameter in the air entrainment formula, the model is able to predict the main features of bubbly flows as evidenced by reasonable agreement with measured void fraction. Bubbles larger than an intermediate radius of O(1 mm) make a major contribution to void fraction in the near-crest region. Smaller bubbles tend to penetrate deeper and stay longer in the water column, resulting in significant contribution to the cross-sectional area of the bubble cloud. An underprediction of void fraction is found at the beginning of wave breaking when large air pockets take place. The core region of high void fraction predicted by the model is dislocated due to use of the shear production in the algorithm for initial bubble entrainment. The study demonstrates a potential use of an entrainment formula in simulations of air bubble population in a surfzone-scale domain. It also reveals some difficulties in use of the two-fluid model for predicting large air pockets induced by wave breaking, and suggests that it may be necessary to use a gas-liquid two-phase model as the basic model framework for the mixture phase and to develop an algorithm to allow for transfer of discrete air pockets to the continuum bubble phase. A more theoretically justifiable air entrainment formulation should be developed.

Dynamics of Electronically Excited Species in Gaseous and Condensed Phase

DTIC Science & Technology

1989-12-01

heatbath models of condensed phase helium, (3) development of models of condensed phase hydrogen and (4) development of simulation procedures for solution... Modelling and Computer Experiments 93 Introduction 93 Monte Carlo Simulations of Helium Bubble States 94 Heatbath Models f6r Helium Bubble States 114...ILLUSTRATIONS 1 He-He* potential energy curves and couplings for two-state model . 40 2 Cross section for He(1P) quenching to He( 3S) 42 3 Opacity

Model Transformation for a System of Systems Dependability Safety Case

NASA Technical Reports Server (NTRS)

Murphy, Judy; Driskell, Steve

2011-01-01

The presentation reviews the dependability and safety effort of NASA's Independent Verification and Validation Facility. Topics include: safety engineering process, applications to non-space environment, Phase I overview, process creation, sample SRM artifact, Phase I end result, Phase II model transformation, fault management, and applying Phase II to individual projects.

Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM

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

Roldin, P.; Eriksson, A. C.; Nordin, E. Z.

2014-08-11

We have developed the novel Aerosol Dynamics, gas- and particle- phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas phase Master Chemical Mechanism version 3.2, an aerosol dynamics and particle phase chemistry module (which considers acid catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study: 1) the mass transfer limited uptake of ammonia (NH3)more » and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), 2) the slow and almost particle size independent evaporation of α-pinene secondary organic aerosol (SOA) particles, and 3) the influence of chamber wall effects on the observed SOA formation in smog chambers.« less

Superradiant phase transition in a model of three-level-Λ systems interacting with two bosonic modes

NASA Astrophysics Data System (ADS)

Hayn, Mathias; Emary, Clive; Brandes, Tobias

2012-12-01

We consider an ensemble of three-level particles in Lambda configuration interacting with two bosonic modes. The Hamiltonian has the form of a generalized Dicke model. We show that in the thermodynamic limit this model supports a superradiant quantum phase transition. Remarkably, this can be both a first- and a second-order phase transition. A connection of the phase diagram to the symmetries of the Hamiltonian is also given. In addition, we show that this model can describe atoms interacting with an electromagnetic field in which the microscopic Hamiltonian includes a diamagnetic contribution. Even though the parameters of the atomic system respect the Thomas-Reiche-Kuhn sum rule, the system still shows a superradiant phase transition.

A Study on Phase Changes of Heterogeneous Composite Materials

NASA Astrophysics Data System (ADS)

Hirasawa, Yoshio; Saito, Akio; Takegoshi, Eisyun

In this study, a phase change process in heterogeneous composite materials which consist of water and coiled copper wires as conductive solid is investigated by four kinds of typical calculation models : 1) model-1 in which the effective thermal conductivity of the composite material is used, 2) model-2 in which a fin metal acts for many conductive solids, 3) model-3 in which the effective thermal conductivities between nodes are estimated and three-dimensional calculation is performed, 4) model-4 proposed by authors in the previous paper in which effective thermal conductivity is not needed. Consequently, model-1 showed the phase change rate considerably lower than the experimental results. Model-2 gave the larger amount of the phase change rate. Model-3 agreed well with the experiment in the case of small coil diameter and relatively large Vd. Model-4 showed a very well agreement with the experiment in the range of this study.

Development of the self-learning machine for creating models of microprocessor of single-phase earth fault protection devices in networks with isolated neutral voltage above 1000 V

NASA Astrophysics Data System (ADS)

Utegulov, B. B.; Utegulov, A. B.; Meiramova, S.

2018-02-01

The paper proposes the development of a self-learning machine for creating models of microprocessor-based single-phase ground fault protection devices in networks with an isolated neutral voltage higher than 1000 V. Development of a self-learning machine for creating models of microprocessor-based single-phase earth fault protection devices in networks with an isolated neutral voltage higher than 1000 V. allows to effectively implement mathematical models of automatic change of protection settings. Single-phase earth fault protection devices.

A phase code for memory could arise from circuit mechanisms in entorhinal cortex

PubMed Central

Hasselmo, Michael E.; Brandon, Mark P.; Yoshida, Motoharu; Giocomo, Lisa M.; Heys, James G.; Fransen, Erik; Newman, Ehren L.; Zilli, Eric A.

2009-01-01

Neurophysiological data reveals intrinsic cellular properties that suggest how entorhinal cortical neurons could code memory by the phase of their firing. Potential cellular mechanisms for this phase coding in models of entorhinal function are reviewed. This mechanism for phase coding provides a substrate for modeling the responses of entorhinal grid cells, as well as the replay of neural spiking activity during waking and sleep. Efforts to implement these abstract models in more detailed biophysical compartmental simulations raise specific issues that could be addressed in larger scale population models incorporating mechanisms of inhibition. PMID:19656654

interThermalPhaseChangeFoam-A framework for two-phase flow simulations with thermally driven phase change

NASA Astrophysics Data System (ADS)

Nabil, Mahdi; Rattner, Alexander S.

The volume-of-fluid (VOF) approach is a mature technique for simulating two-phase flows. However, VOF simulation of phase-change heat transfer is still in its infancy. Multiple closure formulations have been proposed in the literature, each suited to different applications. While these have enabled significant research advances, few implementations are publicly available, actively maintained, or inter-operable. Here, a VOF solver is presented (interThermalPhaseChangeFoam), which incorporates an extensible framework for phase-change heat transfer modeling, enabling simulation of diverse phenomena in a single environment. The solver employs object oriented OpenFOAM library features, including Run-Time-Type-Identification to enable rapid implementation and run-time selection of phase change and surface tension force models. The solver is packaged with multiple phase change and surface tension closure models, adapted and refined from earlier studies. This code has previously been applied to study wavy film condensation, Taylor flow evaporation, nucleate boiling, and dropwise condensation. Tutorial cases are provided for simulation of horizontal film condensation, smooth and wavy falling film condensation, nucleate boiling, and bubble condensation. Validation and grid sensitivity studies, interfacial transport models, effects of spurious currents from surface tension models, effects of artificial heat transfer due to numerical factors, and parallel scaling performance are described in detail in the Supplemental Material (see Appendix A). By incorporating the framework and demonstration cases into a single environment, users can rapidly apply the solver to study phase-change processes of interest.

Fermion masses through four-fermion condensates

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

Ayyar, Venkitesh; Chandrasekharan, Shailesh

Fermion masses can be generated through four-fermion condensates when symmetries prevent fermion bilinear condensates from forming. This less explored mechanism of fermion mass generation is responsible for making four reduced staggered lattice fermions massive at strong couplings in a lattice model with a local four-fermion coupling. The model has a massless fermion phase at weak couplings and a massive fermion phase at strong couplings. In particular there is no spontaneous symmetry breaking of any lattice symmetries in both these phases. Recently it was discovered that in three space-time dimensions there is a direct second order phase transition between the twomore » phases. Here we study the same model in four space-time dimensions and find results consistent with the existence of a narrow intermediate phase with fermion bilinear condensates, that separates the two asymptotic phases by continuous phase transitions.« less

Impact of the volume of gaseous phase in closed reactors on ANC results and modelling

NASA Astrophysics Data System (ADS)

Drapeau, Clémentine; Delolme, Cécile; Lassabatere, Laurent; Blanc, Denise

2016-04-01

The understanding of the geochemical behavior of polluted solid materials is often challenging and requires huge expenses of time and money. Nevertheless, given the increasing amounts of polluted solid materials and related risks for the environment, it is more and more crucial to understand the leaching of majors and trace metals elements from these matrices. In the designs of methods to quantify pollutant solubilization, the combination of experimental procedures with modeling approaches has recently gained attention. Among usual methods, some rely on the association of ANC and geochemical modeling. ANC experiments - Acid Neutralization Capacity - consists in adding known quantities of acid or base to a mixture of water and contaminated solid materials at a given liquid / solid ratio in closed reactors. Reactors are agitated for 48h and then pH, conductivity, redox potential, carbon, majors and heavy metal solubilized are quantified. However, in most cases, the amounts of matrix and water do not reach the total volume of reactors, leaving some space for air (gaseous phase). Despite this fact, no clear indication is given in standard procedures about the effect of this gaseous phase. Even worse, the gaseous phase is never accounted for when exploiting or modeling ANC data. The gaseous phase may exchange CO2 with the solution, which may, in turn, impact both pH and element release. This study lies within the most general framework for the use of geochemical modeling for the prediction of ANC results for the case of pure phases to real phase assemblages. In this study, we focus on the effect of the gaseous phase on ANC experiments on different mineral phases through geochemical modeling. To do so, we use PHREEQC code to model the evolution of pH and element release (including majors and heavy metals) when several matrices are put in contact with acid or base. We model the following scenarios for the gaseous phase: no gas, contact with the atmosphere (open system) and real reactors conditions (semi-closed systems). The solid phases tested are pure phases (calcite, sulfides, etc.) and synthetic assemblages mimicking complex polluted matrices. The modeling clearly shows that the systems are sensitive to the opening to the atmosphere. If the open system and the system with no gas are entirely different, "real" reactors also differ significantly from the other systems. Apparently, the presence of the gaseous phase in reactors greatly impacts pH and element release. This parameter should be accounted for in ANC experimental procedures and modeling. In addition to this numerical study, experimental results, previously obtained for urban polluted sediments, are analyzed in lights of the findings of the numerical study. This step allows us to strengthen conclusions and to pinpoint at the necessity to account for the gaseous phase when performing and modeling ANC experiments.

Low Activation Joining of SiC/SiC Composites for Fusion Applications: Thermomechanical Modeling of Dual-Phase Microstructures and Dissimilar Material Joints

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

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

2016-09-30

Finite element (FE) continuum damage mechanics (CDM) models have been developed to simulate and model dual-phase joints and cracked joints for improved analysis of SiC materials in nuclear environments. This report extends the analysis from the last reporting cycle by including preliminary thermomechanical analyses of cracked joints and implementation of dual-phase damage models.

Numerical modeling of experimental observations on gas formation and multi-phase flow of carbon dioxide in subsurface formations

NASA Astrophysics Data System (ADS)

Pawar, R.; Dash, Z.; Sakaki, T.; Plampin, M. R.; Lassen, R. N.; Illangasekare, T. H.; Zyvoloski, G.

2011-12-01

One of the concerns related to geologic CO2 sequestration is potential leakage of CO2 and its subsequent migration to shallow groundwater resources leading to geochemical impacts. Developing approaches to monitor CO2 migration in shallow aquifer and mitigate leakage impacts will require improving our understanding of gas phase formation and multi-phase flow subsequent to CO2 leakage in shallow aquifers. We are utilizing an integrated approach combining laboratory experiments and numerical simulations to characterize the multi-phase flow of CO2 in shallow aquifers. The laboratory experiments involve a series of highly controlled experiments in which CO2 dissolved water is injected in homogeneous and heterogeneous soil columns and tanks. The experimental results are used to study the effects of soil properties, temperature, pressure gradients and heterogeneities on gas formation and migration. We utilize the Finite Element Heat and Mass (FEHM) simulator (Zyvoloski et al, 2010) to numerically model the experimental results. The numerical models capture the physics of CO2 exsolution, multi-phase fluid flow as well as sand heterogeneity. Experimental observations of pressure, temperature and gas saturations are used to develop and constrain conceptual models for CO2 gas-phase formation and multi-phase CO2 flow in porous media. This talk will provide details of development of conceptual models based on experimental observation, development of numerical models for laboratory experiments and modelling results.

The Secondary Organic Aerosol Processor (SOAP v1.0) model: a unified model with different ranges of complexity based on the molecular surrogate approach

NASA Astrophysics Data System (ADS)

Couvidat, F.; Sartelet, K.

2015-04-01

In this paper the Secondary Organic Aerosol Processor (SOAP v1.0) model is presented. This model determines the partitioning of organic compounds between the gas and particle phases. It is designed to be modular with different user options depending on the computation time and the complexity required by the user. This model is based on the molecular surrogate approach, in which each surrogate compound is associated with a molecular structure to estimate some properties and parameters (hygroscopicity, absorption into the aqueous phase of particles, activity coefficients and phase separation). Each surrogate can be hydrophilic (condenses only into the aqueous phase of particles), hydrophobic (condenses only into the organic phases of particles) or both (condenses into both the aqueous and the organic phases of particles). Activity coefficients are computed with the UNIFAC (UNIversal Functional group Activity Coefficient; Fredenslund et al., 1975) thermodynamic model for short-range interactions and with the Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) parameterization for medium- and long-range interactions between electrolytes and organic compounds. Phase separation is determined by Gibbs energy minimization. The user can choose between an equilibrium representation and a dynamic representation of organic aerosols (OAs). In the equilibrium representation, compounds in the particle phase are assumed to be at equilibrium with the gas phase. However, recent studies show that the organic aerosol is not at equilibrium with the gas phase because the organic phases could be semi-solid (very viscous liquid phase). The condensation-evaporation of organic compounds could then be limited by the diffusion in the organic phases due to the high viscosity. An implicit dynamic representation of secondary organic aerosols (SOAs) is available in SOAP with OAs divided into layers, the first layer being at the center of the particle (slowly reaches equilibrium) and the final layer being near the interface with the gas phase (quickly reaches equilibrium). Although this dynamic implicit representation is a simplified approach to model condensation-evaporation with a low number of layers and short CPU (central processing unit) time, it shows good agreements with an explicit representation of condensation-evaporation (no significant differences after a few hours of condensation).

Using the phase-space imager to analyze partially coherent imaging systems: bright-field, phase contrast, differential interference contrast, differential phase contrast, and spiral phase contrast

NASA Astrophysics Data System (ADS)

Mehta, Shalin B.; Sheppard, Colin J. R.

2010-05-01

Various methods that use large illumination aperture (i.e. partially coherent illumination) have been developed for making transparent (i.e. phase) specimens visible. These methods were developed to provide qualitative contrast rather than quantitative measurement-coherent illumination has been relied upon for quantitative phase analysis. Partially coherent illumination has some important advantages over coherent illumination and can be used for measurement of the specimen's phase distribution. However, quantitative analysis and image computation in partially coherent systems have not been explored fully due to the lack of a general, physically insightful and computationally efficient model of image formation. We have developed a phase-space model that satisfies these requirements. In this paper, we employ this model (called the phase-space imager) to elucidate five different partially coherent systems mentioned in the title. We compute images of an optical fiber under these systems and verify some of them with experimental images. These results and simulated images of a general phase profile are used to compare the contrast and the resolution of the imaging systems. We show that, for quantitative phase imaging of a thin specimen with matched illumination, differential phase contrast offers linear transfer of specimen information to the image. We also show that the edge enhancement properties of spiral phase contrast are compromised significantly as the coherence of illumination is reduced. The results demonstrate that the phase-space imager model provides a useful framework for analysis, calibration, and design of partially coherent imaging methods.

Phase transformations at interfaces: Observations from atomistic modeling

DOE PAGES

Frolov, T.; Asta, M.; Mishin, Y.

2016-10-01

Here, we review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from suchmore » simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.« less

Effects of in-sewer processes: a stochastic model approach.

PubMed

Vollertsen, J; Nielsen, A H; Yang, W; Hvitved-Jacobsen, T

2005-01-01

Transformations of organic matter, nitrogen and sulfur in sewers can be simulated taking into account the relevant transformation and transport processes. One objective of such simulation is the assessment and management of hydrogen sulfide formation and corrosion. Sulfide is formed in the biofilms and sediments of the water phase, but corrosion occurs on the moist surfaces of the sewer gas phase. Consequently, both phases and the transport of volatile substances between these phases must be included. Furthermore, wastewater composition and transformations in sewers are complex and subject to high, natural variability. This paper presents the latest developments of the WATS model concept, allowing integrated aerobic, anoxic and anaerobic simulation of the water phase and of gas phase processes. The resulting model is complex and with high parameter variability. An example applying stochastic modeling shows how this complexity and variability can be taken into account.

The mathematical cell model reconstructed from interference microscopy data

NASA Astrophysics Data System (ADS)

Rogotnev, A. A.; Nikitiuk, A. S.; Naimark, O. B.; Nebogatikov, V. O.; Grishko, V. V.

2017-09-01

The mathematical model of cell dynamics is developed to link the dynamics of the phase cell thickness with the signs of the oncological pathology. The measurements of irregular oscillations of cancer cells phase thickness were made with laser interference microscope MIM-340 in order to substantiate this model. These data related to the dynamics of phase thickness for different cross-sections of cells (nuclei, nucleolus, and cytoplasm) allow the reconstruction of the attractor of dynamic system. The attractor can be associated with specific types of collective modes of phase thickness responsible for the normal and cancerous cell dynamics. Specific type of evolution operator was determined using an algorithm of designing of the mathematical cell model and temporal phase thickness data for cancerous and normal cells. Qualitative correspondence of attractor types to the cell states was analyzed in terms of morphological signs associated with maximum value of mean square irregular oscillations of phase thickness dynamics.

Liquid part of the phase diagram and percolation line for two-dimensional Mercedes-Benz water.

PubMed

Urbic, T

2017-09-01

Monte Carlo simulations and Wertheim's thermodynamic perturbation theory (TPT) are used to predict the phase diagram and percolation curve for the simple two-dimensional Mercedes-Benz (MB) model of water. The MB model of water is quite popular for explaining water properties, but the phase diagram has not been reported till now. In the MB model, water molecules are modeled as two-dimensional Lennard-Jones disks, with three orientation-dependent hydrogen-bonding arms, arranged as in the MB logo. The liquid part of the phase space is explored using grand canonical Monte Carlo simulations and two versions of Wertheim's TPT for associative fluids, which have been used before to predict the properties of the simple MB model. We find that the theory reproduces well the physical properties of hot water but is less successful at capturing the more structured hydrogen bonding that occurs in cold water. In addition to reporting the phase diagram and percolation curve of the model, it is shown that the improved TPT predicts the phase diagram rather well, while the standard one predicts a phase transition at lower temperatures. For the percolation line, both versions have problems predicting the correct position of the line at high temperatures.

Liquid part of the phase diagram and percolation line for two-dimensional Mercedes-Benz water

NASA Astrophysics Data System (ADS)

Urbic, T.

2017-09-01

Monte Carlo simulations and Wertheim's thermodynamic perturbation theory (TPT) are used to predict the phase diagram and percolation curve for the simple two-dimensional Mercedes-Benz (MB) model of water. The MB model of water is quite popular for explaining water properties, but the phase diagram has not been reported till now. In the MB model, water molecules are modeled as two-dimensional Lennard-Jones disks, with three orientation-dependent hydrogen-bonding arms, arranged as in the MB logo. The liquid part of the phase space is explored using grand canonical Monte Carlo simulations and two versions of Wertheim's TPT for associative fluids, which have been used before to predict the properties of the simple MB model. We find that the theory reproduces well the physical properties of hot water but is less successful at capturing the more structured hydrogen bonding that occurs in cold water. In addition to reporting the phase diagram and percolation curve of the model, it is shown that the improved TPT predicts the phase diagram rather well, while the standard one predicts a phase transition at lower temperatures. For the percolation line, both versions have problems predicting the correct position of the line at high temperatures.

Seasonal ENSO phase locking in the Kiel Climate Model: The importance of the equatorial cold sea surface temperature bias

NASA Astrophysics Data System (ADS)

Wengel, C.; Latif, M.; Park, W.; Harlaß, J.; Bayr, T.

2018-02-01

The El Niño/Southern Oscillation (ENSO) is characterized by a seasonal phase locking, with strongest eastern and central equatorial Pacific sea surface temperature (SST) anomalies during boreal winter and weakest SST anomalies during boreal spring. In this study, key feedbacks controlling seasonal ENSO phase locking in the Kiel Climate Model (KCM) are identified by employing Bjerknes index stability analysis. A large ensemble of simulations with the KCM is analyzed, where the individual runs differ in either the number of vertical atmospheric levels or coefficients used in selected atmospheric parameterizations. All integrations use the identical ocean model. The ensemble-mean features realistic seasonal ENSO phase locking. ENSO phase locking is very sensitive to changes in the mean-state realized by the modifications described above. An excessive equatorial cold tongue leads to weak phase locking by reducing the Ekman feedback and thermocline feedback in late boreal fall and early boreal winter. Seasonal ENSO phase locking also is sensitive to the shortwave feedback as part of the thermal damping in early boreal spring, which strongly depends on eastern and central equatorial Pacific SST. The results obtained from the KCM are consistent with those from models participating in the Coupled Model Intercomparison Project phase 5 (CMIP5).

A Theoretical Model for Thin Film Ferroelectric Coupled Microstripline Phase Shifters

NASA Technical Reports Server (NTRS)

Romanofsky, R. R.; Quereshi, A. H.

2000-01-01

Novel microwave phase shifters consisting of coupled microstriplines on thin ferroelectric films have been demonstrated recently. A theoretical model useful for predicting the propagation characteristics (insertion phase shift, dielectric loss, impedance, and bandwidth) is presented here. The model is based on a variational solution for line capacitance and coupled strip transmission line theory.

First principles numerical model of avalanche-induced arc discharges in electron-irradiated dielectrics

NASA Technical Reports Server (NTRS)

Beers, B. L.; Pine, V. W.; Hwang, H. C.; Bloomberg, H. W.; Lin, D. L.; Schmidt, M. J.; Strickland, D. J.

1979-01-01

The model consists of four phases: single electron dynamics, single electron avalanche, negative streamer development, and tree formation. Numerical algorithms and computer code implementations are presented for the first three phases. An approach to developing a code description of fourth phase is discussed. Numerical results are presented for a crude material model of Teflon.

Proton-neutron sdg boson model and spherical-deformed phase transition

NASA Astrophysics Data System (ADS)

Otsuka, Takaharu; Sugita, Michiaki

1988-12-01

The spherical-deformed phase transition in nuclei is described in terms of the proton-neutron sdg interacting boson model. The sdg hamiltonian is introduced to model the pairing+quadrupole interaction. The phase transition is reproduced in this framework as a function of the boson number in the Sm isotopes, while all parameters in the hamiltonian are kept constant at values reasonable from the shell-model point of view. The sd IBM is derived from this model through the renormalization of g-boson effects.

Non-equilibrium phase transitions in a driven-dissipative system of interacting bosons

NASA Astrophysics Data System (ADS)

Young, Jeremy T.; Foss-Feig, Michael; Gorshkov, Alexey V.; Maghrebi, Mohammad F.

2017-04-01

Atomic, molecular, and optical systems provide unique opportunities to study simple models of driven-dissipative many-body quantum systems. Typically, one is interested in the resultant steady state, but the non-equilibrium nature of the physics involved presents several problems in understanding its behavior theoretically. Recently, it has been shown that in many of these models, it is possible to map the steady-state phase transitions onto classical equilibrium phase transitions. In the language of Keldysh field theory, this relation typically only becomes apparent after integrating out massive fields near the critical point, leaving behind a single massless field undergoing near-equilibrium dynamics. In this talk, we study a driven-dissipative XXZ bosonic model and discover critical points at which two fields become gapless. Each critical point separates three different possible phases: a uniform phase, an anti-ferromagnetic phase, and a limit cycle phase. Furthermore, a description in terms of an equilibrium phase transition does not seem possible, so the associated phase transitions appear to be inherently non-equilibrium.

Dynamic phase transitions of the Blume-Emery-Griffiths model under an oscillating external magnetic field by the path probability method

NASA Astrophysics Data System (ADS)

Ertaş, Mehmet; Keskin, Mustafa

2015-03-01

By using the path probability method (PPM) with point distribution, we study the dynamic phase transitions (DPTs) in the Blume-Emery-Griffiths (BEG) model under an oscillating external magnetic field. The phases in the model are obtained by solving the dynamic equations for the average order parameters and a disordered phase, ordered phase and four mixed phases are found. We also investigate the thermal behavior of the dynamic order parameters to analyze the nature dynamic transitions as well as to obtain the DPT temperatures. The dynamic phase diagrams are presented in three different planes in which exhibit the dynamic tricritical point, double critical end point, critical end point, quadrupole point, triple point as well as the reentrant behavior, strongly depending on the values of the system parameters. We compare and discuss the dynamic phase diagrams with dynamic phase diagrams that were obtained within the Glauber-type stochastic dynamics based on the mean-field theory.

Investigation of representing hysteresis in macroscopic models of two-phase flow in porous media using intermediate scale experimental data

NASA Astrophysics Data System (ADS)

Cihan, Abdullah; Birkholzer, Jens; Trevisan, Luca; Gonzalez-Nicolas, Ana; Illangasekare, Tissa

2017-01-01

Incorporating hysteresis into models is important to accurately capture the two phase flow behavior when porous media systems undergo cycles of drainage and imbibition such as in the cases of injection and post-injection redistribution of CO2 during geological CO2 storage (GCS). In the traditional model of two-phase flow, existing constitutive models that parameterize the hysteresis associated with these processes are generally based on the empirical relationships. This manuscript presents development and testing of mathematical hysteretic capillary pressure—saturation—relative permeability models with the objective of more accurately representing the redistribution of the fluids after injection. The constitutive models are developed by relating macroscopic variables to basic physics of two-phase capillary displacements at pore-scale and void space distribution properties. The modeling approach with the developed constitutive models with and without hysteresis as input is tested against some intermediate-scale flow cell experiments to test the ability of the models to represent movement and capillary trapping of immiscible fluids under macroscopically homogeneous and heterogeneous conditions. The hysteretic two-phase flow model predicted the overall plume migration and distribution during and post injection reasonably well and represented the postinjection behavior of the plume more accurately than the nonhysteretic models. Based on the results in this study, neglecting hysteresis in the constitutive models of the traditional two-phase flow theory can seriously overpredict or underpredict the injected fluid distribution during post-injection under both homogeneous and heterogeneous conditions, depending on the selected value of the residual saturation in the nonhysteretic models.

Multi-phase SPH model for simulation of erosion and scouring by means of the shields and Drucker-Prager criteria.

NASA Astrophysics Data System (ADS)

Zubeldia, Elizabeth H.; Fourtakas, Georgios; Rogers, Benedict D.; Farias, Márcio M.

2018-07-01

A two-phase numerical model using Smoothed Particle Hydrodynamics (SPH) is developed to model the scouring of two-phase liquid-sediments flows with large deformation. The rheology of sediment scouring due to flows with slow kinematics and high shear forces presents a challenge in terms of spurious numerical fluctuations. This paper bridges the gap between the non-Newtonian and Newtonian flows by proposing a model that combines the yielding, shear and suspension layer mechanics which are needed to predict accurately the local erosion phenomena. A critical bed-mobility condition based on the Shields criterion is imposed to the particles located at the sediment surface. Thus, the onset of the erosion process is independent on the pressure field and eliminates the numerical problem of pressure dependant erosion at the interface. This is combined with the Drucker-Prager yield criterion to predict the onset of yielding of the sediment surface and a concentration suspension model. The multi-phase model has been implemented in the open-source DualSPHysics code accelerated with a graphics processing unit (GPU). The multi-phase model has been compared with 2-D reference numerical models and new experimental data for scour with convergent results. Numerical results for a dry-bed dam break over an erodible bed shows improved agreement with experimental scour and water surface profiles compared to well-known SPH multi-phase models.

Numerical evidence of liquid crystalline mesophases of a lollipop shaped model in two dimensions

NASA Astrophysics Data System (ADS)

Pérez-Lemus, G. R.; Armas-Pérez, J. C.; Chapela, G. A.; Quintana-H., J.

2017-12-01

Small alterations in the molecular details may produce noticeable changes in the symmetry of the resulting phase behavior. It is possible to produce morphologies having different n-fold symmetries by manipulating molecular features such as chirality, polarity or anisotropy. In this paper, a two dimensional hard molecular model is introduced to study the formation of liquid crystalline phases in low dimensionality. The model is similar to that reported by Julio C. Armas-Pérez and Jacqueline Quintana-H., Phys. Rev. E 83, 051709 (2011). The main difference is the lack of chirality in the model proposed, although they share some characteristics like the geometrical polarity. Our model is called a lollipop model, because its shape is constructed by a rounded section attached to the end of a stick. Contrary to what happens in three dimensions where chiral nematogens produce interesting and complex phases such as blue phases, the lack of molecular chirality of our model generates a richer phase diagram compared to the chiral system. We show numerical and some geometrical evidences that the lack of laterality of the non chiral model seems to provide more routes of molecular self-assembly, producing triatic, a random cluster and possibly a tetratic phase behavior which were not presented in the previous work. We support our conclusions using results obtained from isobaric and isochoric Monte Carlo simulations. Properties as the n-fold order parameters such as the nematic, tetratic and triatic as well as their correlation functions were used to characterize the phases. We also provide the Fourier transform of equilibrium configurations to analyze the n-fold symmetry characteristic of each phase.

Results and Lessons Learned from Phase 1 of the Air Quality Model Evaluation International Initiative (AQMEII)

EPA Science Inventory

A summary of the key findings from the model evaluation studies performed for the Phase 1 annual 2006 North American and European simulations, as well as reflections on experiences gained during Phase 1 that will be important for guiding the implementation of Phase 2 of the Air Q...

Modeling phase separation in mixtures of intrinsically-disordered proteins

NASA Astrophysics Data System (ADS)

Gu, Chad; Zilman, Anton

Phase separation in a pure or mixed solution of intrinsically-disordered proteins (IDPs) and its role in various biological processes has generated interest from the theoretical biophysics community. Phase separation of IDPs has been implicated in the formation of membrane-less organelles such as nucleoli, as well as in a mechanism of selectivity in transport through the nuclear pore complex. Based on a lattice model of polymers, we study the phase diagram of IDPs in a mixture and describe the selective exclusion of soluble proteins from the dense-phase IDP aggregates. The model captures the essential behaviour of phase separation by a minimal set of coarse-grained parameters, corresponding to the average monomer-monomer and monomer-protein attraction strength, as well as the protein-to-monomer size ratio. Contrary to the intuition that strong monomer-monomer interaction increases exclusion of soluble proteins from the dense IDP aggregates, our model predicts that the concentration of soluble proteins in the aggregate phase as a function of monomer-monomer attraction is non-monotonic. We corroborate the predictions of the lattice model using Langevin dynamics simulations of grafted polymers in planar and cylindrical geometries, mimicking various in-vivo and in-vitro conditions.

In-Vitro Approaches for Studying Blast-Induced Traumatic Brain Injury

PubMed Central

Chen, Yung Chia; Smith, Douglas H.

2009-01-01

Abstract Traumatic brain injury caused by explosive or blast events is currently divided into four phases: primary, secondary, tertiary, and quaternary blast injury. These phases of blast-induced traumatic brain injury (bTBI) are biomechanically distinct, and can be modeled in both in-vivo and in-vitro systems. The purpose of this review is to consider the mechanical phases of bTBI, how these phases are reproduced with in-vitro models, and to review findings from these models to assess how each phase of bTBI can be examined in more detail. Highlighted are some important gaps in the literature that may be addressed in the future to better identify the exact contributing mechanisms for bTBI. These in-vitro models, viewed in combination with in-vivo models and clinical studies, can be used to assess both the mechanisms and possible treatments for this type of trauma. PMID:19397424

From the S U (2 ) quantum link model on the honeycomb lattice to the quantum dimer model on the kagome lattice: Phase transition and fractionalized flux strings

NASA Astrophysics Data System (ADS)

Banerjee, D.; Jiang, F.-J.; Olesen, T. Z.; Orland, P.; Wiese, U.-J.

2018-05-01

We consider the (2 +1 ) -dimensional S U (2 ) quantum link model on the honeycomb lattice and show that it is equivalent to a quantum dimer model on the kagome lattice. The model has crystalline confined phases with spontaneously broken translation invariance associated with pinwheel order, which is investigated with either a Metropolis or an efficient cluster algorithm. External half-integer non-Abelian charges [which transform nontrivially under the Z (2 ) center of the S U (2 ) gauge group] are confined to each other by fractionalized strings with a delocalized Z (2 ) flux. The strands of the fractionalized flux strings are domain walls that separate distinct pinwheel phases. A second-order phase transition in the three-dimensional Ising universality class separates two confining phases: one with correlated pinwheel orientations, and the other with uncorrelated pinwheel orientations.

ENSO Frequency Asymmetry and the Pacific Decadal Oscillation in Observations and 19 CMIP5 Models

NASA Astrophysics Data System (ADS)

Lin, Renping; Zheng, Fei; Dong, Xiao

2018-05-01

Using observational data and the pre-industrial simulations of 19 models from the Coupled Model Intercomparison Project Phase 5 (CMIP5), the El Niño (EN) and La Niña (LN) events in positive and negative Pacific Decadal Oscillation (PDO) phases are examined. In the observational data, with EN (LN) events the positive (negative) SST anomaly in the equatorial eastern Pacific is much stronger in positive (negative) PDO phases than in negative (positive) phases. Meanwhile, the models cannot reasonably reproduce this difference. Besides, the modulation of ENSO frequency asymmetry by the PDO is explored. Results show that, in the observational data, EN is 300% more (58% less) frequent than LN in positive (negative) PDO phases, which is significant at the 99% confidence level using the Monte Carlo test. Most of the CMIP5 models exhibit results that are consistent with the observational data.

Multiscale Modeling of PEEK Using Reactive Molecular Dynamics Modeling and Micromechanics

NASA Technical Reports Server (NTRS)

Pisani, William A.; Radue, Matthew; Chinkanjanarot, Sorayot; Bednarcyk, Brett A.; Pineda, Evan J.; King, Julia A.; Odegard, Gregory M.

2018-01-01

Polyether ether ketone (PEEK) is a high-performance, semi-crystalline thermoplastic that is used in a wide range of engineering applications, including some structural components of aircraft. The design of new PEEK-based materials requires a precise understanding of the multiscale structure and behavior of semi-crystalline PEEK. Molecular Dynamics (MD) modeling can efficiently predict bulk-level properties of single phase polymers, and micromechanics can be used to homogenize those phases based on the overall polymer microstructure. In this study, MD modeling was used to predict the mechanical properties of the amorphous and crystalline phases of PEEK. The hierarchical microstructure of PEEK, which combines the aforementioned phases, was modeled using a multiscale modeling approach facilitated by NASA's MSGMC. The bulk mechanical properties of semi-crystalline PEEK predicted using MD modeling and MSGMC agree well with vendor data, thus validating the multiscale modeling approach.

Computer and online health information literacy among Belgrade citizens aged 66-89 years.

PubMed

Gazibara, Tatjana; Kurtagic, Ilma; Kisic-Tepavcevic, Darija; Nurkovic, Selmina; Kovacevic, Nikolina; Gazibara, Teodora; Pekmezovic, Tatjana

2016-06-01

Computer users over 65 years of age in Serbia are rare. The purpose of this study was to (i) describe main demographic characteristics of computer users older than 65; (ii) evaluate their online health information literacy and (iii) assess factors associated with computer use in this population. Persons above 65 years of age were recruited at the Community Health Center 'Vračar' in Belgrade from November 2012 to January 2013. Data were collected after medical checkups using a questionnaire. Of 480 persons who were invited to participate 354 (73.7%) agreed to participate, while 346 filled in the questionnaire (72.1%). A total of 70 (20.2%) older persons were computer users (23.4% males vs. 17.7% females). Of those, 23.7% explored health-related web sites. The majority of older persons who do not use computers reported that they do not have a reason to use a computer (76.5%), while every third senior (30.4%) did not own a computer. Predictors of computer use were being younger [odds ratio (OR) = 2.14, 95% confidence interval (CI) 1.30-4.04; p = 0.019], having less members of household (OR = 2.97, 95% CI 1.45-6.08; p = 0.003), being more educated (OR = 3.53, 95% CI 1.88-6.63; p = 0.001), having higher income (OR = 2.31, 95% CI 1.17-4.58; p = 0.016) as well as fewer comorbidities (OR = 0.42, 95% CI 0.23-0.79; p = 0.007). Being male was independent predictor of online health information use at the level of marginal significance (OR = 4.43, 95% CI 1.93-21.00; p = 0.061). Frequency of computer and Internet use among older adults in Belgrade is similar to other populations. Patterns of Internet use as well as non-use demonstrate particular socio-cultural characteristics. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Motherhood and the "Madness of Hunger": "...Want Almal Vra vir My vir 'n Stukkie Brood" ("...Because Everyone Asks Me for a Little Piece of Bread").

PubMed

Kruger, Lou-Marié; Lourens, Marleen

2016-03-01

It is widely assumed that the social and economic conditions of poverty can be linked to common mental disorders in low-, middle- and high-income countries. Despite the considerable increase in quantitative studies investigating the link between poverty and mental health, the nature of the connection between poverty and emotional well-being/distress is still not fully comprehended. In this qualitative study, exploring how one group of Coloured South African women, diagnosed with depression and residing in a semi-rural low-income South African community, subjectively understand and experience their emotional distress, data was collected by means of in-depth semi-structured interviews and social constructionist grounded theory was used to analyse the data. We will attempt to show (1) that the depressed women in this group of respondents frequently refer to the emotional distress caused by hungry children and (2) that the emotional distress described by the respondents included emotions typically associated with depression (such as sadness, hopelessness and guilt), but also included emotions not necessarily associated with depression (such as anxiety, anger and anomie). In our attempt to understand (both psychologically and politically) the complex emotional response of mothers to their children's hunger, we argue that powerful gender and neo-liberal discourses within which mothers are interpellated to care for children, and more specifically, to make sure that children are not hungry, mean that the mothers of hungry children felt that they were not fulfilling their responsibilities and thus felt guilty and ashamed. This shame seemed, in turn, to lead to anger and/or anomie, informing acting out behaviours ranging from verbal and physical aggression to passive withdrawal. A vicious cycle of hunger, sadness and anxiety, shame, anger and anomie, aggression and withdrawal, negative judgement, and more shame, are thus maintained. As such, the unbearable rebukes of hungry children can be thought of as evoking a kind of "madness" in low-income mothers.

Antimicrobial Activity Of Essential Oils Against Vancomycin-Resistant Enterococci (Vre) And Escherichia Coli O157:H7 In Feta Soft Cheese And Minced Beef Meat

PubMed Central

Selim, Samy

2011-01-01

Eleven essential oils (EOs) were evaluated for their antibacterial properties, against Vancomycin-Resistant Enterococci (VRE) and E. coli O157:H7. EOs were introduced into Brain Heart Infusion agar (BHI) (15ml) at a concentration of 0.25 to 2% (vol/vol) to determine the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) for each pathogen evaluated. Results showed that the most active essential oils against bacteria tested were thyme oil, with MIC90 and MBC90 for the VRA strains of 0.25% and 0.5%, respectively. Eucalyptus, juniper and clove oils were the least potent agent, with MIC90 and MBC90 of 2%. Furthermore, the inhibitory effect of these EO were evaluated against VRE and E. coli O157:H7, experimentally inoculated (103 cfu/g) in Feta soft cheese and minced beef meat, which was mixed with different concentrations (0.1%, 0.5% and 1%) of the EO and stored at 7 °C for 14 days. Out of eucalyptus, juniper, mint, rosemary, sage, clove and thyme oils tested against target bacteria sage and thyme showed the best results. Clove and mint did not show any effect on VRE and E. coli O157:H7 in both kinds of studied foods. The addition of thyme oil at concentrations of 0.5 and 1% caused best significant reduction in the growth rate of VRE and E. coli O157:H7 in cheese and meat at 7 oC. It is concluded that selected plant EOs can act as potent inhibitors of both microorganisms in a food product. The results revealed the potential of thyme oil as a natural preservative in feta soft cheese and minced beef meat against VRE and E. coli O157:H7 contamination. PMID:24031620

Second-site changes affect viability of amphotropic/ecotropic chimeric enveloped murine leukemia viruses.

PubMed

O'Reilly, L; Roth, M J

2000-01-01

Chimeras were previously generated between the ecotropic (Moloney-MuLV) and amphotropic (4070A) SU and TM proteins of murine leukemia virus (MuLV). After passage in D17 cells, three chimeras with junctions in the C terminus of SU (AE5, AE6, and AE7), showed improved kinetics of viral spreading, suggesting that they had adapted. Sequencing of the viruses derived from the D17 cell lines revealed second-site changes within the env gene. Changes were detected in the receptor binding domain, the proline-rich region, the C terminus of SU, and the ectodomain of TM. Second-site changes were subcloned into the parental DNA, singly and in combination, and tested for viability. All viruses had maintained their original cloned mutations and junctions. Reconstruction and passage of AE7 or AE6 virus with single point mutations recovered the additional second-site changes identified in the parental population. The AE5 isolate required changes in the VRA, the VRC, the VRB-hinge region, and the C terminus of SU for efficient infection. Passage of virus, including the parental 4070A, in D17 cells resulted in a predominant G100R mutation within the receptor binding domain. Viruses were subjected to titer determination in three cell types, NIH 3T3, canine D17, and 293T. AE6 viruses with changes in the proline-rich region initially adapted for growth on D17 cells could infect all cell types tested. AE6-based chimeras with additional mutations in the C terminus of SU could infect D17 and 293T cells. Infection of NIH 3T3 cells was dependent on the proline-rich mutation. AE7-based chimeras encoding L538Q and G100R were impaired in infecting NIH 3T3 and 293T cells.

Second-Site Changes Affect Viability of Amphotropic/Ecotropic Chimeric Enveloped Murine Leukemia Viruses

PubMed Central

O'Reilly, Lucille; Roth, Monica J.

2000-01-01

Chimeras were previously generated between the ecotropic (Moloney-MuLV) and amphotropic (4070A) SU and TM proteins of murine leukemia virus (MuLV). After passage in D17 cells, three chimeras with junctions in the C terminus of SU (AE5, AE6, and AE7), showed improved kinetics of viral spreading, suggesting that they had adapted. Sequencing of the viruses derived from the D17 cell lines revealed second-site changes within the env gene. Changes were detected in the receptor binding domain, the proline-rich region, the C terminus of SU, and the ectodomain of TM. Second-site changes were subcloned into the parental DNA, singly and in combination, and tested for viability. All viruses had maintained their original cloned mutations and junctions. Reconstruction and passage of AE7 or AE6 virus with single point mutations recovered the additional second-site changes identified in the parental population. The AE5 isolate required changes in the VRA, the VRC, the VRB-hinge region, and the C terminus of SU for efficient infection. Passage of virus, including the parental 4070A, in D17 cells resulted in a predominant G100R mutation within the receptor binding domain. Viruses were subjected to titer determination in three cell types, NIH 3T3, canine D17, and 293T. AE6 viruses with changes in the proline-rich region initially adapted for growth on D17 cells could infect all cell types tested. AE6-based chimeras with additional mutations in the C terminus of SU could infect D17 and 293T cells. Infection of NIH 3T3 cells was dependent on the proline-rich mutation. AE7-based chimeras encoding L538Q and G100R were impaired in infecting NIH 3T3 and 293T cells. PMID:10623753

The evolution of vancomycin intermediate Staphylococcus aureus (VISA) and heterogenous-VISA.

PubMed

Howden, Benjamin P; Peleg, Anton Y; Stinear, Timothy P

2014-01-01

Resistance to new antimicrobials is generally recognized in Staphylococcus aureus soon after they are released for clinical use. In the case of vancomycin, which was first released in the 1950s, resistance was not reported until the mid 1990s, with the description of vancomycin-intermediate S. aureus (VISA), and heterogenous-VISA (hVISA). Unraveling the complex genetic and cell wall structural changes conferring low-level vancomycin resistance in S. aureus has proved challenging. However the recent advances in high throughput whole-genome sequencing has played a key role in determining the breadth of bacterial chromosomal changes linked with resistance. Diverse mutations in a small number of staphylococcal regulatory genes, in particular walKR, graRS, vraSR and rpoB, have been associated with hVISA and VISA. Only a small number of these mutations have been experimentally proven to confer the resistance phenotype and some of these only partially contribute to resistance. It also appears that the evolution of VISA from VSSA is a step-wise process. Transcriptomics studies, and analysis of host pathogen interactions, indicate that the evolution of vancomycin-susceptible S. aureus to VISA is associated not only with antibiotic resistance, but with other changes likely to promote persistent infection. These include predicted alterations in central metabolism, altered expression of virulence associated factors, attenuated virulence in vivo, and alterations in susceptibility to host innate immune responses, together with reduced susceptibility to other antibiotics. In fact, current data suggests that hVISA and VISA represent a bacterial evolutionary state favoring persistence in the face of not only antibiotics, but also the host environment. The additional knowledge of staphylococcal biology that has been uncovered during the study of hVISA and VISA is significant. The present review will detail the current understanding of the evolutionary process in the generation of hVISA and VISA, and explore the diverse additional changes that occur in these strains. Copyright © 2013 Elsevier B.V. All rights reserved.

Finite Difference modeling of VLF Propagation in the Earth-Ionosphere Waveguide

NASA Astrophysics Data System (ADS)

Marshall, R. A.; Wallace, T.; Turbe, M.

2016-12-01

Very-low-frequency (VLF, 3—30 kHz) waves can propagate efficiently in the waveguide formed by the Earth and the D-region ionosphere. vVariation in the signals monitored by a stationary receiver can be attributed to variations in the lower ionosphere. As such, these signals are used to monitor the D-region ionosphere in daytime and nighttime. However, the use of VLF transmitter signals to quantitatively diagnose the D-region ionosphere is complicated by i) the propagation of many modes in the waveguide, and their interference, and ii) the effect of the ionosphere along the entire path on the receiver signal at a single location. In this paper, we compare the modeled phase and amplitude of VLF signals using three methods: a Finite-Difference Time-Domain (FDTD) model, a Finite-Difference Frequency-Domain (FDFD) model, and the Long-Wave Prediction Capability (LWPC) model, which has been the method de rigueur since the 1970s. While LWPC solves mode propagation and coupling in the anisotropic waveguide, the FD methods directly solve for electric and magnetic fields from Maxwell's equations on a finite-difference grid. Thus, FD methods provide greater freedom to vary the physical inputs of the model, limited only by the spatial resolution, but at the expense of computation time. We compare the simulated amplitude and phase of these models by running them with identical physical inputs. In this work we compare both i) the absolute amplitude and phase trends as a function of distance, and ii) the magnitude of amplitude and phase variations for given ionosphere changes. Modeling results show that FDTD and FDFD simulations track the amplitude and phase as a function of distance very closely when compared to LWPC. Phase drift due to numerical dispersion is observed at large distances, of a few tens of degrees per 1000 km. These phase drifts increase quadratically with frequency, as expected from numerical dispersion in FD methods. In fact, the phase drift can be mostly removed by applying a simple Richardson extrapolation. After extrapolating, FDTD and LWPC differences can be mapped to a phase velocity difference of <0.07%. When we compare phase changes due to ionospheric variations (Figure 1), we find that all three models show similar magnitudes of phase changes, to within 20%, and similar trends with frequency.­­­

Numerical modelling of distributed vibration sensor based on phase-sensitive OTDR

NASA Astrophysics Data System (ADS)

Masoudi, A.; Newson, T. P.

2017-04-01

A Distributed Vibration Sensor Based on Phase-Sensitive OTDR is numerically modeled. The advantage of modeling the building blocks of the sensor individually and combining the blocks to analyse the behavior of the sensing system is discussed. It is shown that the numerical model can accurately imitate the response of the experimental setup to dynamic perturbations a signal processing procedure similar to that used to extract the phase information from sensing setup.

Investigation of wing crack formation with a combined phase-field and experimental approach

NASA Astrophysics Data System (ADS)

Lee, Sanghyun; Reber, Jacqueline E.; Hayman, Nicholas W.; Wheeler, Mary F.

2016-08-01

Fractures that propagate off of weak slip planes are known as wing cracks and often play important roles in both tectonic deformation and fluid flow across reservoir seals. Previous numerical models have produced the basic kinematics of wing crack openings but generally have not been able to capture fracture geometries seen in nature. Here we present both a phase-field modeling approach and a physical experiment using gelatin for a wing crack formation. By treating the fracture surfaces as diffusive zones instead of as discontinuities, the phase-field model does not require consideration of unpredictable rock properties or stress inhomogeneities around crack tips. It is shown by benchmarking the models with physical experiments that the numerical assumptions in the phase-field approach do not affect the final model predictions of wing crack nucleation and growth. With this study, we demonstrate that it is feasible to implement the formation of wing cracks in large scale phase-field reservoir models.

Quantum matter bounce with a dark energy expanding phase

NASA Astrophysics Data System (ADS)

Colin, Samuel; Pinto-Neto, Nelson

2017-09-01

Analyzing quantum cosmological scenarios containing one scalar field with exponential potential, we have obtained a universe model which realizes a classical dust contraction from very large scales, the initial repeller of the model, and moves to a stiff matter contraction near the singularity, which is avoided due to a quantum bounce. The universe is then launched in a stiff matter expanding phase, which then moves to a dark energy era, finally returning to the dust expanding phase, the final attractor of the model. Hence, one has obtained a nonsingular cosmological model where a single scalar field can describe both the matter contracting phase of a bouncing model, necessary to give an almost scale invariant spectrum of scalar cosmological perturbations, and a transient expanding dark energy phase. As the universe is necessarily dust dominated in the far past, usual adiabatic vacuum initial conditions can be easily imposed in this era, avoiding the usual issues appearing when dark energy is considered in bouncing models.

A class of all digital phase locked loops - Modelling and analysis.

NASA Technical Reports Server (NTRS)

Reddy, C. P.; Gupta, S. C.

1972-01-01

An all digital phase locked loop which tracks the phase of the incoming signal once per carrier cycle is proposed. The different elements and their functions, and the phase lock operation are explained in detail. The general digital loop operation is governed by a non-linear difference equation from which a suitable model is developed. The lock range for the general model is derived. The performance of the digital loop for phase step, and frequency step inputs for different levels of quantization without loop filter, are studied. The analytical results are checked by simulating the actual system on the digital computer.

Simulation model for a seven-phase BLDCM drive system

NASA Astrophysics Data System (ADS)

Park, Sang-Hoon; Lee, Won-Cheol; Lee, Jung-Hyo; Yu, Jae-Sung; Kim, Gyu-Sik; Won, Chung-Yuen

2007-12-01

BLDC motors have many advantages over brushed DC motors and induction motors. So, BLDC motors extend their application to many industrial fields. In this paper, the digital simulation and modeling of a 7-phase brushless DC motor have been presented. The 14-switch inverter and a 7-phase brushless DC motor drive system are simulated using hysteresis current controller and logic of switching pattern with the Boolean¡s function. Through some simulations, we found that our modeling and analysis of a 7-phase BLDCM with PWM inverter would be helpful for the further studies of the multi-phase BLDCM drive systems.

The microscopic structure of an exactly solvable model binary solution that exhibits two closed loops in the phase diagram.

PubMed

Lungu, Radu P; Huckaby, Dale A

2008-07-21

An exactly solvable lattice model describing a binary solution is considered where rodlike molecules of types AA and BB cover the links of a honeycomb lattice, the neighboring molecular ends having three-body and orientation-dependent bonding interactions. At phase coexistence of AA-rich and BB-rich phases, the average fraction of each type of triangle of neighboring molecular ends is calculated exactly. The fractions of the different types of triangles are then used to deduce the local microscopic structure of the coexisting phases for a case of the model that contains two closed loops in the phase diagram.

Non-minimally coupled condensate cosmologies: a phase space analysis

NASA Astrophysics Data System (ADS)

Carloni, Sante; Vignolo, Stefano; Cianci, Roberto

2014-09-01

We present an analysis of the phase space of cosmological models based on a non-minimal coupling between the geometry and a fermionic condensate. We observe that the strong constraint coming from the Dirac equations allows a detailed design of the cosmology of these models, and at the same time guarantees an evolution towards a state indistinguishable from general relativistic cosmological models. In this light, we show in detail how the use of some specific potentials can naturally reproduce a phase of accelerated expansion. In particular, we find for the first time that an exponential potential is able to induce two de Sitter phases separated by a power law expansion, which could be an interesting model for the unification of an inflationary phase and a dark energy era.

T- P Phase Diagram of Nitrogen at High Pressures

NASA Astrophysics Data System (ADS)

Algul, G.; Enginer, Y.; Yurtseven, H.

2018-05-01

By employing a mean field model, calculation of the T- P phase diagram of molecular nitrogen is performed at high pressures up to 200 GPa. Experimental data from the literature are used to fit a quadratic function in T and P, describing the phase line equations which have been derived using the mean field model studied here for N 2, and the fitted parameters are determined. Our model study gives that the observed T- P phase diagram can be described satisfactorily for the first-order transitions between the phases at low as well as high pressures in nitrogen. Some thermodynamic quantities can also be predicted as functions of temperature and pressure from the mean field model studied here and they can be compared with the experimental data.

Comparative study of solvation parameter models accounting the effects of mobile phase composition in reversed-phase liquid chromatography.

PubMed

Torres-Lapasió, J R; Ruiz-Angel, M J; García-Alvarez-Coque, M C

2007-09-28

Solvation parameter models relate linearly compound properties with five fundamental solute descriptors (excess molar refraction, dipolarity/polarizability, effective hydrogen-bond acidity and basicity, and McGowan volume). These models are widely used, due to the availability of protocols to obtain the descriptors, good performance, and general applicability. Several approaches to predict retention in reversed-phase liquid chromatography (RPLC) as a function of these descriptors and mobile phase composition are compared, assaying the performance with a set of 146 organic compounds of diverse nature, eluted with acetonitrile and methanol. The approaches are classified in two groups: those that only allow predictions of retention for the mobile phases used to build the models, and those valid at any other mobile phase composition. The first group includes the use of ratios between the regressed coefficients of the solvation models that are assumed to be characteristic for a column/solvent system, and the application of offsets to transfer the retention from a reference mobile phase to any other. Maximal accuracy in predictions corresponded, however, to the approaches in the second group, which were based on models that describe the retention as a function of mobile phase composition (expressed as the solvent volume fraction or a normalised polarity measurement), where the coefficients were made dependent on the solvent descriptors. The study revealed the properties that influence the retention and distinguish the particular behaviour of acetonitrile and methanol in RPLC.

Self-duality and phase structure of the 4D random-plaquette Z2 gauge model

NASA Astrophysics Data System (ADS)

Arakawa, Gaku; Ichinose, Ikuo; Matsui, Tetsuo; Takeda, Koujin

2005-03-01

In the present paper, we shall study the 4-dimensional Z lattice gauge model with a random gauge coupling; the random-plaquette gauge model (RPGM). The random gauge coupling at each plaquette takes the value J with the probability 1-p and - J with p. This model exhibits a confinement-Higgs phase transition. We numerically obtain a phase boundary curve in the (p-T)-plane where T is the "temperature" measured in unit of J/k. This model plays an important role in estimating the accuracy threshold of a quantum memory of a toric code. In this paper, we are mainly interested in its "self-duality" aspect, and the relationship with the random-bond Ising model (RBIM) in 2-dimensions. The "self-duality" argument can be applied both for RPGM and RBIM, giving the same duality equations, hence predicting the same phase boundary. The phase boundary curve obtained by our numerical simulation almost coincides with this predicted phase boundary at the high-temperature region. The phase transition is of first order for relatively small values of p<0.08, but becomes of second order for larger p. The value of p at the intersection of the phase boundary curve and the Nishimori line is regarded as the accuracy threshold of errors in a toric quantum memory. It is estimated as p=0.110±0.002, which is very close to the value conjectured by Takeda and Nishimori through the "self-duality" argument.

OPTIMIZING MODEL PERFORMANCE: VARIABLE SIZE RESOLUTION IN CLOUD CHEMISTRY MODELING. (R826371C005)

EPA Science Inventory

Under many conditions size-resolved aqueous-phase chemistry models predict higher sulfate production rates than comparable bulk aqueous-phase models. However, there are special circumstances under which bulk and size-resolved models offer similar predictions. These special con...

A Multi-Model Analysis of the Cloud Phase Transition in 16 GCMs Using Satellite Observations (CALIPSO/GPCP) and Reanalysis Data (ECMWF/MERRA).

NASA Astrophysics Data System (ADS)

Cesana, G.; Waliser, D. E.; Jiang, X.; Li, J. L. F.

2014-12-01

The ubiquitous presence of clouds within the troposphere contributes to modulate the radiative balance of the earth-atmosphere system. Depending on their cloud phase, clouds may have different microphysical and macrophysical properties, and hence, different radiative effects. In this study, we took advantage of climate runs from the GASS-YoTC and AMIP multi-model experiments to document the differences associated to the cloud phase parameterizations of 16 GCMs. A particular emphasize has been put on the vertical structure of the transition between liquid and ice in clouds. A way to intercompare the models regardless of their cloud fraction is to study the ratio of the ice mass to the total mass of the condensed water. To address the challenge of evaluating the modeled cloud phase, we profited from the cloud phase climatology so called CALIPSO-GOCCP, which separates liquid clouds from ice clouds at global scale, with a high vertical resolution (480m), above all surfaces. We also used reanalysis data and GPCP satellite observations to investigate the influence of the temperature, the relative humidity, the vertical wind speed and the precipitations on the cloud phase transition. In 12 (of 16) models, there are too few super cooled liquid in clouds compared to observations, mostly in the high troposphere. We exhibited evidences of the link between the cloud phase transition and the humidity, the vertical wind speed as well as the precipitations. Some cloud phase schemes are more affected by the humidity and the vertical velocity and some other by the precipitations. Although a few models can reproduce the observe relation between cloud phase and temperature, humidity, vertical velocity or precipitations, none of them perform well for all the parameters. An important result of this study is that the T-dependent phase parameterizations do not allow simulating the complexity of the observed cloud phase transition. Unfortunately, more complex microphysics schemes do not succeed to reproduce all the processes neither. Finally, thanks to the combined use of CALIPSO-GOCCP and ECMWF water vapor pressure, we showed an updated version of the Clausius-Clapeyron water vapor phase diagram. This diagram represents a new tool to improve the simulation of the cloud phase transition in climate models.

A Lattice Boltzmann Framework for the simulation of boiling hydrodynamics in BWRs.

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

Jain, P. K.; Tentner, A.; Uddin, R.

2008-01-01

Multi phase and multi component flows are ubiquitous in nature as well as in many man-made processes. A specific example is the Boiling Water Reactor (BWR) core, in which the coolant enters the core as liquid, undergoes a phase change as it traverses the core and exits as a high quality two-phase mixture. Two-phase flows in BWRs typically manifest a wide variety of geometrical patterns of the co-existing phases depending on the local system conditions. Modeling of such flows currently relies on empirical correlations (for example, in the simulation of bubble nucleation, bubble growth and coalescence, and inter-phase surface topologymore » transitions) that hinder the accurate simulation of two-phase phenomena using Computational Fluid Dynamics (CFD) approaches. The Lattice Boltzmann Method (LBM) is in rapid development as a modeling tool to understand these macro-phenomena by coupling them with their underlying micro-dynamics. This paper presents a consistent LBM formulation for the simulation of a two-phase water-steam system. Results of initial model validation in a range of thermodynamic conditions typical for BWRs are also shown. The interface between the two coexisting phases is captured from the dynamics of the model itself, i.e., no interface tracking is needed. The model is based on the Peng-Robinson (P-R) non-ideal equation of state and can quantitatively approximate the phase-coexistence curve for water at different temperatures ranging from 125 to 325 oC. Consequently, coexisting phases with large density ratios (up to {approx}1000) may be simulated. Two-phase models in the 200-300 C temperature range are of significant importance to nuclear engineers since most BWRs operate under similar thermodynamic conditions. Simulation of bubbles and droplets in a gravity-free environment of the corresponding coexisting phase until steady state is reached satisfies Laplace law at different temperatures and thus, yield the surface tension of the fluid. Comparing the LBM surface tension thus calculated using the LBM to the corresponding experimental values for water, the LBM lattice unit (lu) can be scaled to the physical units. Using this approach, spatial scaling of the LBM emerges from the model itself and is not imposed externally.« less

Highlights from AQMEII Phase 2 & Next Steps

EPA Science Inventory

We present highlights of the results obtained in the second phase of the Air Quality Model Evaluation International Initiative (AQMEII) that was completed in May 2014. Activities in this phase were focused on the application and evaluation of coupled meteorology-chemistry models ...

Associations between the Classroom Learning Environment and Student Engagement in Learning 2: A Structural Equation Modelling Approach

ERIC Educational Resources Information Center

Harbaugh, Allen G.; Cavanagh, Robert F.

2012-01-01

This report is about the second of two phases in an investigation into associations between student engagement in classroom learning and the classroom-learning environment. Whereas the first phase utilized Rasch modelling (Cavanagh, 2012), this report uses latent variable modelling to explore the data. The investigations in both phases of this…

First-order inflation

NASA Technical Reports Server (NTRS)

Kolb, Edward W.

1991-01-01

In the original proposal, inflation occurred in the process of a strongly first-order phase transition. This model was soon demonstrated to be fatally flawed. Subsequent models for inflation involved phase transitions that were second-order, or perhaps weakly first-order; some even involved no phase transition at all. Recently the possibility of inflation during a strongly first-order phase transition has been revived. In this talk I will discuss some models for first-order inflation, and emphasize unique signatures that result if inflation is realized in a first-order transition. Before discussing first-order inflation, I will briefly review some of the history of inflation to demonstrate how first-order inflation differs from other models.

First-order inflation. [in cosmology

NASA Technical Reports Server (NTRS)

Kolb, Edward W.

1991-01-01

In the original proposal, inflation occurred in the process of a strongly first-order phase transition. This model was soon demonstrated to be fatally flawed. Subsequent models for inflation involved phase transitions that were second-order, or perhaps weakly first-order; some even involved no phase transition at all. Recently the possibility of inflation during a strongly first-order phase transition has been revived. In this paper, some models for first-order inflation are discussed, and unique signatures that result if inflation is realized in a first-order transition are emphasized. Some of the history of inflation is reviewed to demonstrate how first-order inflation differs from other models.

Langley's CSI evolutionary model: Phase O

NASA Technical Reports Server (NTRS)

Belvin, W. Keith; Elliott, Kenny B.; Horta, Lucas G.; Bailey, Jim P.; Bruner, Anne M.; Sulla, Jeffrey L.; Won, John; Ugoletti, Roberto M.

1991-01-01

A testbed for the development of Controls Structures Interaction (CSI) technology to improve space science platform pointing is described. The evolutionary nature of the testbed will permit the study of global line-of-sight pointing in phases 0 and 1, whereas, multipayload pointing systems will be studied beginning with phase 2. The design, capabilities, and typical dynamic behavior of the phase 0 version of the CSI evolutionary model (CEM) is documented for investigator both internal and external to NASA. The model description includes line-of-sight pointing measurement, testbed structure, actuators, sensors, and real time computers, as well as finite element and state space models of major components.

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

DOE PAGES

Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

2015-04-28

Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique valuemore » but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.« less

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

NASA Astrophysics Data System (ADS)

Wang, Chi-Jen; Liu, Da-Jiang; Evans, James W.

2015-04-01

Threshold versions of Schloegl's model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

Phase Behavior Modeling of Asphaltene Precipitation for Heavy Crudes: A Promising Tool Along with Experimental Data

NASA Astrophysics Data System (ADS)

Tavakkoli, M.; Kharrat, R.; Masihi, M.; Ghazanfari, M. H.; Fadaei, S.

2012-12-01

Thermodynamic modeling is known as a promising tool for phase behavior modeling of asphaltene precipitation under different conditions such as pressure depletion and CO2 injection. In this work, a thermodynamic approach is used for modeling the phase behavior of asphaltene precipitation. The precipitated asphaltene phase is represented by an improved solid model, while the oil and gas phases are modeled with an equation of state. The PR-EOS was used to perform flash calculations. Then, the onset point and the amount of precipitated asphaltene were predicted. A computer code based on an improved solid model has been developed and used for predicting asphaltene precipitation data for one of Iranian heavy crudes, under pressure depletion and CO2 injection conditions. A significant improvement has been observed in predicting the asphaltene precipitation data under gas injection conditions. Especially for the maximum value of asphaltene precipitation and for the trend of the curve after the peak point, good agreement was observed. For gas injection conditions, comparison of the thermodynamic micellization model and the improved solid model showed that the thermodynamic micellization model cannot predict the maximum of precipitation as well as the improved solid model. The non-isothermal improved solid model has been used for predicting asphaltene precipitation data under pressure depletion conditions. The pressure depletion tests were done at different levels of temperature and pressure, and the parameters of a non-isothermal model were tuned using three onset pressures at three different temperatures for the considered crude. The results showed that the model is highly sensitive to the amount of solid molar volume along with the interaction coefficient parameter between the asphaltene component and light hydrocarbon components. Using a non-isothermal improved solid model, the asphaltene phase envelope was developed. It has been revealed that at high temperatures, an increase in the temperature results in a lower amount of asphaltene precipitation and also it causes the convergence of lower and upper boundaries of the asphaltene phase envelope. This work illustrates successful application of a non-isothermal improved solid model for developing the asphaltene phase envelope of heavy crude which can be helpful for monitoring and controlling of asphaltene precipitation through the wellbore and surface facilities during heavy oil production.

Wavelength Does Not Equal Pressure: Vertical Contribution Functions and Their Implications for Mapping Hot Jupiters

NASA Astrophysics Data System (ADS)

Dobbs-Dixon, Ian; Cowan, Nicolas B.

2017-12-01

Multi-band phase variations, in principle, allow us to infer the longitudinal temperature distributions of planets as a function of height in their atmospheres. For example, 3.6 μm emission originates from deeper layers of the atmosphere than 4.5 μm due to greater water vapor absorption at the longer wavelength. Because heat transport efficiency increases with pressure, we expect thermal phase curves at 3.6 μm to exhibit smaller amplitudes and greater phase offsets than at 4.5 μm—yet this trend is not observed. Of the seven hot Jupiters with full-orbit phase curves at 3.6 and 4.5 μm, all of them have greater phase amplitude at 3.6 μm than at 4.5 μm, while four of the seven exhibit a greater phase offset at 3.6 μm. We use a 3D radiative-hydrodynamic model to calculate theoretical phase curves of HD 189733b, assuming thermo-chemical equilibrium. The model exhibits temperature, pressure, and wavelength-dependent opacity, primarily driven by carbon chemistry: CO is energetically favored on the dayside, while CH4 is favored on the cooler nightside. Infrared opacity, therefore, changes by orders of magnitude between day and night, producing dramatic vertical shifts in the wavelength-specific photospheres, which would complicate eclipse or phase mapping with spectral data. The model predicts greater relative phase amplitude and greater phase offset at 3.6 μm than at 4.5 μm, in agreement with the data. Our model qualitatively explains the observed phase curves, but it is in tension with current thermo-chemical kinetics models that predict zonally uniform atmospheric composition due to the transport of CO from the hot regions of the atmosphere.

Phase-locking of bursting neuronal firing to dominant LFP frequency components.

PubMed

Constantinou, Maria; Elijah, Daniel H; Squirrell, Daniel; Gigg, John; Montemurro, Marcelo A

2015-10-01

Neuronal firing in the hippocampal formation relative to the phase of local field potentials (LFP) has a key role in memory processing and spatial navigation. Firing can be in either tonic or burst mode. Although bursting neurons are common in the hippocampal formation, the characteristics of their locking to LFP phase are not completely understood. We investigated phase-locking properties of bursting neurons using simulations generated by a dual compartmental model of a pyramidal neuron adapted to match the bursting activity in the subiculum of a rat. The model was driven with stochastic input signals containing a power spectral profile consistent with physiologically relevant frequencies observed in LFP. The single spikes and spike bursts fired by the model were locked to a preferred phase of the predominant frequency band where there was a peak in the power of the driving signal. Moreover, the preferred phase of locking shifted with increasing burst size, providing evidence that LFP phase can be encoded by burst size. We also provide initial support for the model results by analysing example data of spontaneous LFP and spiking activity recorded from the subiculum of a single urethane-anaesthetised rat. Subicular neurons fired single spikes, two-spike bursts and larger bursts that locked to a preferred phase of either dominant slow oscillations or theta rhythms within the LFP, according to the model prediction. Both power-modulated phase-locking and gradual shift in the preferred phase of locking as a function of burst size suggest that neurons can use bursts to encode timing information contained in LFP phase into a spike-count code. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

Combining phase-field crystal methods with a Cahn-Hilliard model for binary alloys

NASA Astrophysics Data System (ADS)

Balakrishna, Ananya Renuka; Carter, W. Craig

2018-04-01

Diffusion-induced phase transitions typically change the lattice symmetry of the host material. In battery electrodes, for example, Li ions (diffusing species) are inserted between layers in a crystalline electrode material (host). This diffusion induces lattice distortions and defect formations in the electrode. The structural changes to the lattice symmetry affect the host material's properties. Here, we propose a 2D theoretical framework that couples a Cahn-Hilliard (CH) model, which describes the composition field of a diffusing species, with a phase-field crystal (PFC) model, which describes the host-material lattice symmetry. We couple the two continuum models via coordinate transformation coefficients. We introduce the transformation coefficients in the PFC method to describe affine lattice deformations. These transformation coefficients are modeled as functions of the composition field. Using this coupled approach, we explore the effects of coarse-grained lattice symmetry and distortions on a diffusion-induced phase transition process. In this paper, we demonstrate the working of the CH-PFC model through three representative examples: First, we describe base cases with hexagonal and square symmetries for two composition fields. Next, we illustrate how the CH-PFC method interpolates lattice symmetry across a diffuse phase boundary. Finally, we compute a Cahn-Hilliard type of diffusion and model the accompanying changes to lattice symmetry during a phase transition process.

Phase precession through acceleration of local theta rhythm: a biophysical model for the interaction between place cells and local inhibitory neurons.

PubMed

Castro, Luísa; Aguiar, Paulo

2012-08-01

Phase precession is one of the most well known examples within the temporal coding hypothesis. Here we present a biophysical spiking model for phase precession in hippocampal CA1 which focuses on the interaction between place cells and local inhibitory interneurons. The model's functional block is composed of a place cell (PC) connected with a local inhibitory cell (IC) which is modulated by the population theta rhythm. Both cells receive excitatory inputs from the entorhinal cortex (EC). These inputs are both theta modulated and space modulated. The dynamics of the two neuron types are described by integrate-and-fire models with conductance synapses, and the EC inputs are described using non-homogeneous Poisson processes. Phase precession in our model is caused by increased drive to specific PC/IC pairs when the animal is in their place field. The excitation increases the IC's firing rate, and this modulates the PC's firing rate such that both cells precess relative to theta. Our model implies that phase coding in place cells may not be independent from rate coding. The absence of restrictive connectivity constraints in this model predicts the generation of phase precession in any network with similar architecture and subject to a clocking rhythm, independently of the involvement in spatial tasks.

A multiscale microstructural approach to ductile-phase toughened tungsten for plasma-facing materials

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

Nguyen, Ba Nghiep; Henager, Jr., Charles H.; Overman, Nicole R.

Increasing fracture toughness and modifying the ductile-brittle transition temperature of a tungsten-alloy relative to pure tungsten has been shown to be feasible by ductile-phase toughening (DPT) of tungsten for future plasma-facing materials for fusion energy. In DPT, a ductile phase is included in a brittle tungsten matrix to increase the overall work of fracture for the material. This research models the deformation behavior of DPT tungsten materials, such as tungsten-copper composites, using a multiscale modeling approach that involves a microstructural dual-phase (copper-tungsten) region of interest where the constituent phases are finely discretized and are described by a continuum damage mechanicsmore » model. Large deformation, damage, and fracture are allowed to occur and are modeled in a region that is connected to adjacent homogenized elastic regions to form a macroscopic structure, such as a test specimen. The present paper illustrates this multiscale modeling approach to analyze unnotched and single-edge notched (SENB) tungsten-copper composite specimens subjected to three-point bending. The predicted load-displacement responses and crack propagation patterns are compared to the corresponding experimental results to validate the model. Furthermore, such models may help design future DPT composite configurations for fusion materials, including volume fractions of ductile phase and microstructural optimization.« less

A multiscale microstructural approach to ductile-phase toughened tungsten for plasma-facing materials

DOE PAGES

Nguyen, Ba Nghiep; Henager, Jr., Charles H.; Overman, Nicole R.; ...

2018-05-23

Increasing fracture toughness and modifying the ductile-brittle transition temperature of a tungsten-alloy relative to pure tungsten has been shown to be feasible by ductile-phase toughening (DPT) of tungsten for future plasma-facing materials for fusion energy. In DPT, a ductile phase is included in a brittle tungsten matrix to increase the overall work of fracture for the material. This research models the deformation behavior of DPT tungsten materials, such as tungsten-copper composites, using a multiscale modeling approach that involves a microstructural dual-phase (copper-tungsten) region of interest where the constituent phases are finely discretized and are described by a continuum damage mechanicsmore » model. Large deformation, damage, and fracture are allowed to occur and are modeled in a region that is connected to adjacent homogenized elastic regions to form a macroscopic structure, such as a test specimen. The present paper illustrates this multiscale modeling approach to analyze unnotched and single-edge notched (SENB) tungsten-copper composite specimens subjected to three-point bending. The predicted load-displacement responses and crack propagation patterns are compared to the corresponding experimental results to validate the model. Furthermore, such models may help design future DPT composite configurations for fusion materials, including volume fractions of ductile phase and microstructural optimization.« less

High-temperature experimental and thermodynamic modelling research on the pyrometallurgical processing of copper

NASA Astrophysics Data System (ADS)

Hidayat, Taufiq; Shishin, Denis; Decterov, Sergei A.; Hayes, Peter C.; Jak, Evgueni

2017-01-01

Uncertainty in the metal price and competition between producers mean that the daily operation of a smelter needs to target high recovery of valuable elements at low operating cost. Options for the improvement of the plant operation can be examined and decision making can be informed based on accurate information from laboratory experimentation coupled with predictions using advanced thermodynamic models. Integrated high-temperature experimental and thermodynamic modelling research on phase equilibria and thermodynamics of copper-containing systems have been undertaken at the Pyrometallurgy Innovation Centre (PYROSEARCH). The experimental phase equilibria studies involve high-temperature equilibration, rapid quenching and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA). The thermodynamic modelling deals with the development of accurate thermodynamic database built through critical evaluation of experimental data, selection of solution models, and optimization of models parameters. The database covers the Al-Ca-Cu-Fe-Mg-O-S-Si chemical system. The gas, slag, matte, liquid and solid metal phases, spinel solid solution as well as numerous solid oxide and sulphide phases are included. The database works within the FactSage software environment. Examples of phase equilibria data and thermodynamic models of selected systems, as well as possible implementation of the research outcomes to selected copper making processes are presented.

Role of phonons in the metal-insulator phase transition.

NASA Technical Reports Server (NTRS)

Langer, W. D.

1972-01-01

Review, for the transition series oxides, of the Mattis and Lander model, which is one of electrons interacting with lattice vibrations (electron and phonon interaction). The model displays superconducting, insulating, and metallic phases. Its basic properties evolve from a finite crystallographic distortion associated with a dominant phonon mode and the splitting of the Brillouin zone into two subzones, a property of simple cubic and body centered cubic lattices. The order of the metal-insulator phase transition is examined. The basic model has a second-order phase transition and the effects of additional mechanisms on the model are calculated. The way in which these mechanisms affect the magnetically ordered transition series oxides as described by the Hubbard model is discussed.

Designing an activity-based costing model for a non-admitted prisoner healthcare setting.

PubMed

Cai, Xiao; Moore, Elizabeth; McNamara, Martin

2013-09-01

To design and deliver an activity-based costing model within a non-admitted prisoner healthcare setting. Key phases from the NSW Health clinical redesign methodology were utilised: diagnostic, solution design and implementation. The diagnostic phase utilised a range of strategies to identify issues requiring attention in the development of the costing model. The solution design phase conceptualised distinct 'building blocks' of activity and cost based on the speciality of clinicians providing care. These building blocks enabled the classification of activity and comparisons of costs between similar facilities. The implementation phase validated the model. The project generated an activity-based costing model based on actual activity performed, gained acceptability among clinicians and managers, and provided the basis for ongoing efficiency and benchmarking efforts.

Prediction of Continuous Cooling Transformation Diagrams for Dual-Phase Steels from the Intercritical Region

NASA Astrophysics Data System (ADS)

Colla, V.; Desanctis, M.; Dimatteo, A.; Lovicu, G.; Valentini, R.

2011-09-01

The purpose of the present work is the implementation and validation of a model able to predict the microstructure changes and the mechanical properties in the modern high-strength dual-phase steels after the continuous annealing process line (CAPL) and galvanizing (Galv) process. Experimental continuous cooling transformation (CCT) diagrams for 13 differently alloying dual-phase steels were measured by dilatometry from the intercritical range and were used to tune the parameters of the microstructural prediction module of the model. Mechanical properties and microstructural features were measured for more than 400 dual-phase steels simulating the CAPL and Galv industrial process, and the results were used to construct the mechanical model that predicts mechanical properties from microstructural features, chemistry, and process parameters. The model was validated and proved its efficiency in reproducing the transformation kinetic and mechanical properties of dual-phase steels produced by typical industrial process. Although it is limited to the dual-phase grades and chemical compositions explored, this model will constitute a useful tool for the steel industry.

The role of phase dynamics in a stochastic model of a passively advected scalar

NASA Astrophysics Data System (ADS)

Moradi, Sara; Anderson, Johan

2016-05-01

Collective synchronous motion of the phases is introduced in a model for the stochastic passive advection-diffusion of a scalar with external forcing. The model for the phase coupling dynamics follows the well known Kuramoto model paradigm of limit-cycle oscillators. The natural frequencies in the Kuramoto model are assumed to obey a given scale dependence through a dispersion relation of the drift-wave form -βk/1 +k2 , where β is a constant representing the typical strength of the gradient. The present aim is to study the importance of collective phase dynamics on the characteristic time evolution of the fluctuation energy and the formation of coherent structures. Our results show that the assumption of a fully stochastic phase state of turbulence is more relevant for high values of β, where we find that the energy spectrum follows a k-7 /2 scaling. Whereas for lower β there is a significant difference between a-synchronised and synchronised phase states, one could expect the formation of coherent modulations in the latter case.

M-type potassium conductance controls the emergence of neural phase codes: a combined experimental and neuron modelling study

PubMed Central

Kwag, Jeehyun; Jang, Hyun Jae; Kim, Mincheol; Lee, Sujeong

2014-01-01

Rate and phase codes are believed to be important in neural information processing. Hippocampal place cells provide a good example where both coding schemes coexist during spatial information processing. Spike rate increases in the place field, whereas spike phase precesses relative to the ongoing theta oscillation. However, what intrinsic mechanism allows for a single neuron to generate spike output patterns that contain both neural codes is unknown. Using dynamic clamp, we simulate an in vivo-like subthreshold dynamics of place cells to in vitro CA1 pyramidal neurons to establish an in vitro model of spike phase precession. Using this in vitro model, we show that membrane potential oscillation (MPO) dynamics is important in the emergence of spike phase codes: blocking the slowly activating, non-inactivating K+ current (IM), which is known to control subthreshold MPO, disrupts MPO and abolishes spike phase precession. We verify the importance of adaptive IM in the generation of phase codes using both an adaptive integrate-and-fire and a Hodgkin–Huxley (HH) neuron model. Especially, using the HH model, we further show that it is the perisomatically located IM with slow activation kinetics that is crucial for the generation of phase codes. These results suggest an important functional role of IM in single neuron computation, where IM serves as an intrinsic mechanism allowing for dual rate and phase coding in single neurons. PMID:25100320

Proposed three-phase modeling of Be stars from combined UV and visual observations

NASA Technical Reports Server (NTRS)

Doazan, V.; Stalio, R.; Thomas, R. N.

1981-01-01

Far ultraviolet observations of the behavior of wind velocity and superionization values as a function of the phase of the (Be, B shell, B normal) pattern established by visual observations for gamma Cas and 59 Cyg are translated into a crude atmospheric model for the Be phase and several kinds of mass flux variability across the three phases.

Spiral computed tomography phase-space source model in the BEAMnrc/EGSnrc Monte Carlo system: implementation and validation.

PubMed

Kim, Sangroh; Yoshizumi, Terry T; Yin, Fang-Fang; Chetty, Indrin J

2013-04-21

Currently, the BEAMnrc/EGSnrc Monte Carlo (MC) system does not provide a spiral CT source model for the simulation of spiral CT scanning. We developed and validated a spiral CT phase-space source model in the BEAMnrc/EGSnrc system. The spiral phase-space source model was implemented in the DOSXYZnrc user code of the BEAMnrc/EGSnrc system by analyzing the geometry of spiral CT scan-scan range, initial angle, rotational direction, pitch, slice thickness, etc. Table movement was simulated by changing the coordinates of the isocenter as a function of beam angles. Some parameters such as pitch, slice thickness and translation per rotation were also incorporated into the model to make the new phase-space source model, designed specifically for spiral CT scan simulations. The source model was hard-coded by modifying the 'ISource = 8: Phase-Space Source Incident from Multiple Directions' in the srcxyznrc.mortran and dosxyznrc.mortran files in the DOSXYZnrc user code. In order to verify the implementation, spiral CT scans were simulated in a CT dose index phantom using the validated x-ray tube model of a commercial CT simulator for both the original multi-direction source (ISOURCE = 8) and the new phase-space source model in the DOSXYZnrc system. Then the acquired 2D and 3D dose distributions were analyzed with respect to the input parameters for various pitch values. In addition, surface-dose profiles were also measured for a patient CT scan protocol using radiochromic film and were compared with the MC simulations. The new phase-space source model was found to simulate the spiral CT scanning in a single simulation run accurately. It also produced the equivalent dose distribution of the ISOURCE = 8 model for the same CT scan parameters. The MC-simulated surface profiles were well matched to the film measurement overall within 10%. The new spiral CT phase-space source model was implemented in the BEAMnrc/EGSnrc system. This work will be beneficial in estimating the spiral CT scan dose in the BEAMnrc/EGSnrc system.

Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Chibbaro, Sergio; Pope, Stephen B.

2014-11-01

In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangian stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future developments can be safely built, which is also relevant for stochastic subgrid models for particle-laden flows in the context of Large Eddy Simulations.

Spiral computed tomography phase-space source model in the BEAMnrc/EGSnrc Monte Carlo system: implementation and validation

NASA Astrophysics Data System (ADS)

Kim, Sangroh; Yoshizumi, Terry T.; Yin, Fang-Fang; Chetty, Indrin J.

2013-04-01

Currently, the BEAMnrc/EGSnrc Monte Carlo (MC) system does not provide a spiral CT source model for the simulation of spiral CT scanning. We developed and validated a spiral CT phase-space source model in the BEAMnrc/EGSnrc system. The spiral phase-space source model was implemented in the DOSXYZnrc user code of the BEAMnrc/EGSnrc system by analyzing the geometry of spiral CT scan—scan range, initial angle, rotational direction, pitch, slice thickness, etc. Table movement was simulated by changing the coordinates of the isocenter as a function of beam angles. Some parameters such as pitch, slice thickness and translation per rotation were also incorporated into the model to make the new phase-space source model, designed specifically for spiral CT scan simulations. The source model was hard-coded by modifying the ‘ISource = 8: Phase-Space Source Incident from Multiple Directions’ in the srcxyznrc.mortran and dosxyznrc.mortran files in the DOSXYZnrc user code. In order to verify the implementation, spiral CT scans were simulated in a CT dose index phantom using the validated x-ray tube model of a commercial CT simulator for both the original multi-direction source (ISOURCE = 8) and the new phase-space source model in the DOSXYZnrc system. Then the acquired 2D and 3D dose distributions were analyzed with respect to the input parameters for various pitch values. In addition, surface-dose profiles were also measured for a patient CT scan protocol using radiochromic film and were compared with the MC simulations. The new phase-space source model was found to simulate the spiral CT scanning in a single simulation run accurately. It also produced the equivalent dose distribution of the ISOURCE = 8 model for the same CT scan parameters. The MC-simulated surface profiles were well matched to the film measurement overall within 10%. The new spiral CT phase-space source model was implemented in the BEAMnrc/EGSnrc system. This work will be beneficial in estimating the spiral CT scan dose in the BEAMnrc/EGSnrc system.

Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

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

Minier, Jean-Pierre, E-mail: Jean-Pierre.Minier@edf.fr; Chibbaro, Sergio; Pope, Stephen B.

In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangianmore » stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future developments can be safely built, which is also relevant for stochastic subgrid models for particle-laden flows in the context of Large Eddy Simulations.« less

Modeling mass transfer and reaction of dilute solutes in a ternary phase system by the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Fu, Yu-Hang; Bai, Lin; Luo, Kai-Hong; Jin, Yong; Cheng, Yi

2017-04-01

In this work, we propose a general approach for modeling mass transfer and reaction of dilute solute(s) in incompressible three-phase flows by introducing a collision operator in lattice Boltzmann (LB) method. An LB equation was used to simulate the solute dynamics among three different fluids, in which the newly expanded collision operator was used to depict the interface behavior of dilute solute(s). The multiscale analysis showed that the presented model can recover the macroscopic transport equations derived from the Maxwell-Stefan equation for dilute solutes in three-phase systems. Compared with the analytical equation of state of solute and dynamic behavior, these results are proven to constitute a generalized framework to simulate solute distributions in three-phase flows, including compound soluble in one phase, compound adsorbed on single-interface, compound in two phases, and solute soluble in three phases. Moreover, numerical simulations of benchmark cases, such as phase decomposition, multilayered planar interfaces, and liquid lens, were performed to test the stability and efficiency of the model. Finally, the multiphase mass transfer and reaction in Janus droplet transport in a straight microchannel were well reproduced.

Rationalizing the light-induced phase separation of mixed halide organic-inorganic perovskites.

PubMed

Draguta, Sergiu; Sharia, Onise; Yoon, Seog Joon; Brennan, Michael C; Morozov, Yurii V; Manser, Joseph S; Kamat, Prashant V; Schneider, William F; Kuno, Masaru

2017-08-04

Mixed halide hybrid perovskites, CH 3 NH 3 Pb(I 1-x Br x ) 3 , represent good candidates for low-cost, high efficiency photovoltaic, and light-emitting devices. Their band gaps can be tuned from 1.6 to 2.3 eV, by changing the halide anion identity. Unfortunately, mixed halide perovskites undergo phase separation under illumination. This leads to iodide- and bromide-rich domains along with corresponding changes to the material's optical/electrical response. Here, using combined spectroscopic measurements and theoretical modeling, we quantitatively rationalize all microscopic processes that occur during phase separation. Our model suggests that the driving force behind phase separation is the bandgap reduction of iodide-rich phases. It additionally explains observed non-linear intensity dependencies, as well as self-limited growth of iodide-rich domains. Most importantly, our model reveals that mixed halide perovskites can be stabilized against phase separation by deliberately engineering carrier diffusion lengths and injected carrier densities.Mixed halide hybrid perovskites possess tunable band gaps, however, under illumination they undergo phase separation. Using spectroscopic measurements and theoretical modelling, Draguta and Sharia et al. quantitatively rationalize the microscopic processes that occur during phase separation.

Dynamics of coarsening in multicomponent lipid vesicles with non-uniform mechanical properties

NASA Astrophysics Data System (ADS)

Funkhouser, Chloe M.; Solis, Francisco J.; Thornton, K.

2014-04-01

Multicomponent lipid vesicles are commonly used as a model system for the complex plasma membrane. One phenomenon that is studied using such model systems is phase separation. Vesicles composed of simple lipid mixtures can phase-separate into liquid-ordered and liquid-disordered phases, and since these phases can have different mechanical properties, this separation can lead to changes in the shape of the vesicle. In this work, we investigate the dynamics of phase separation in multicomponent lipid vesicles, using a model that couples composition to mechanical properties such as bending rigidity and spontaneous curvature. The model allows the vesicle surface to deform while conserving surface area and composition. For vesicles initialized as spheres, we study the effects of phase fraction and spontaneous curvature. We additionally initialize two systems with elongated, spheroidal shapes. Dynamic behavior is contrasted in systems where only one phase has a spontaneous curvature similar to the overall vesicle surface curvature and systems where the spontaneous curvatures of both phases are similar to the overall curvature. The bending energy contribution is typically found to slow the dynamics by stabilizing configurations with multiple domains. Such multiple-domain configurations are found more often in vesicles with spheroidal shapes than in nearly spherical vesicles.

Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

NASA Astrophysics Data System (ADS)

Ali, A. N.; Son, S. F.; Asay, B. W.; Sander, R. K.

2005-03-01

Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6mm±0.4mm exists below which ignition by CO2 laser is not possible at the tested irradiances of 29W /cm2 and 38W/cm2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials.

Modelling Phase Transition Phenomena in Fluids

DTIC Science & Technology

2015-07-01

Sublimation line r @@I Triple point ? Vapourisation liner @@I Critical point -Fusion line Solid Liquid Gas Figure 1: Schematic of a phase diagram means that the...velocity field can be set zero, and only the balance of energy constitutes the Stefan model. In contrast to this the liquid - gas phase transitions...defined by requiring that the phase-transition line is crossed in a direction from solid to liquid or from liquid to gas (vapour) phases. The term T∗ δs is

Safety performance of traffic phases and phase transitions in three phase traffic theory.

PubMed

Xu, Chengcheng; Liu, Pan; Wang, Wei; Li, Zhibin

2015-12-01

Crash risk prediction models were developed to link safety to various phases and phase transitions defined by the three phase traffic theory. Results of the Bayesian conditional logit analysis showed that different traffic states differed distinctly with respect to safety performance. The random-parameter logit approach was utilized to account for the heterogeneity caused by unobserved factors. The Bayesian inference approach based on the Markov Chain Monte Carlo (MCMC) method was used for the estimation of the random-parameter logit model. The proposed approach increased the prediction performance of the crash risk models as compared with the conventional logit model. The three phase traffic theory can help us better understand the mechanism of crash occurrences in various traffic states. The contributing factors to crash likelihood can be well explained by the mechanism of phase transitions. We further discovered that the free flow state can be divided into two sub-phases on the basis of safety performance, including a true free flow state in which the interactions between vehicles are minor, and a platooned traffic state in which bunched vehicles travel in successions. The results of this study suggest that a safety perspective can be added to the three phase traffic theory. The results also suggest that the heterogeneity between different traffic states should be considered when estimating the risks of crash occurrences on freeways. Copyright © 2015 Elsevier Ltd. All rights reserved.

Silicon nitride equation of state

NASA Astrophysics Data System (ADS)

Brown, Robert C.; Swaminathan, Pazhayannur K.

2017-01-01

This report presents the development of a global, multi-phase equation of state (EOS) for the ceramic silicon nitride (Si3N4).1 Structural forms include amorphous silicon nitride normally used as a thin film and three crystalline polymorphs. Crystalline phases include hexagonal α-Si3N4, hexagonal β-Si3N4, and the cubic spinel c-Si3N4. Decomposition at about 1900 °C results in a liquid silicon phase and gas phase products such as molecular nitrogen, atomic nitrogen, and atomic silicon. The silicon nitride EOS was developed using EOSPro which is a new and extended version of the PANDA II code. Both codes are valuable tools and have been used successfully for a variety of material classes. Both PANDA II and EOSPro can generate a tabular EOS that can be used in conjunction with hydrocodes. The paper describes the development efforts for the component solid phases and presents results obtained using the EOSPro phase transition model to investigate the solid-solid phase transitions in relation to the available shock data that have indicated a complex and slow time dependent phase change to the c-Si3N4 phase. Furthermore, the EOSPro mixture model is used to develop a model for the decomposition products; however, the need for a kinetic approach is suggested to combine with the single component solid models to simulate and further investigate the global phase coexistences.

Complete analysis of ensemble inequivalence in the Blume-Emery-Griffiths model

NASA Astrophysics Data System (ADS)

Hovhannisyan, V. V.; Ananikian, N. S.; Campa, A.; Ruffo, S.

2017-12-01

We study inequivalence of canonical and microcanonical ensembles in the mean-field Blume-Emery-Griffiths model. This generalizes previous results obtained for the Blume-Capel model. The phase diagram strongly depends on the value of the biquadratic exchange interaction K , the additional feature present in the Blume-Emery-Griffiths model. At small values of K , as for the Blume-Capel model, lines of first- and second-order phase transitions between a ferromagnetic and a paramagnetic phase are present, separated by a tricritical point whose location is different in the two ensembles. At higher values of K the phase diagram changes substantially, with the appearance of a triple point in the canonical ensemble, which does not find any correspondence in the microcanonical ensemble. Moreover, one of the first-order lines that starts from the triple point ends in a critical point, whose position in the phase diagram is different in the two ensembles. This line separates two paramagnetic phases characterized by a different value of the quadrupole moment. These features were not previously studied for other models and substantially enrich the landscape of ensemble inequivalence, identifying new aspects that had been discussed in a classification of phase transitions based on singularity theory. Finally, we discuss ergodicity breaking, which is highlighted by the presence of gaps in the accessible values of magnetization at low energies: it also displays new interesting patterns that are not present in the Blume-Capel model.

Correlation between the change in the kinetics of the ribosomal RNA rrnB P2 promoter and the transition from lag to exponential phase with Pseudomonas fluorescens.

PubMed

McKellar, Robin C

2008-01-15

Developing accurate mathematical models to describe the pre-exponential lag phase in food-borne pathogens presents a considerable challenge to food microbiologists. While the growth rate is influenced by current environmental conditions, the lag phase is affected in addition by the history of the inoculum. A deeper understanding of physiological changes taking place during the lag phase would improve accuracy of models, and in earlier studies a strain of Pseudomonas fluorescens containing the Tn7-luxCDABE gene cassette regulated by the rRNA promoter rrnB P2 was used to measure the influence of starvation, growth temperature and sub-lethal heating on promoter expression and subsequent growth. The present study expands the models developed earlier to include a model which describes the change from exponential to linear increase in promoter expression with time when the exponential phase of growth commences. A two-phase linear model with Poisson weighting was used to estimate the lag (LPDLin) and the rate (RLin) for this linear increase in bioluminescence. The Spearman rank correlation coefficient (r=0.830) between the LPDLin and the growth lag phase (LPDOD) was extremely significant (P

Analytical Study on the Saturated Polarization Under Electric Field and Phase Equilibrium of Three-Phase Polycrystalline Ferroelectrics by Using the Generalized Inverse-Pole-Figure Model

NASA Astrophysics Data System (ADS)

Ju, Kyong-Sik; Ryo, Hyok-Su; Pak, Sung-Nam; Pak, Chang-Su; Ri, Sung-Guk; Ri, Dok-Hwan

2018-07-01

By using the generalized inverse-pole-figure model, the numbers of crystalline particles involved in different domain-switching near the triple tetragonal-rhombohedral-orthorhombic (T-R-O) points of three-phase polycrystalline ferroelectrics have been analytically calculated and domain-switching which can bring out phase transformations has been considered. Through polarization by an electric field, different numbers of crystalline particles can be involved in different phase transformations. According to the phase equilibrium conditions, the phase equilibrium compositions of the three phases coexisting near the T-R-O triple point have been evaluated from the results of the numbers of crystalline particles involved in different phase transformations.

Large-N solution of the heterotic CP(N-1) model with twisted masses

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

Bolokhov, Pavel A.; Department of Physics and Astronomy, University of Victoria, Victoria, BC, V8P 1A1; Shifman, Mikhail

2010-07-15

We address a number of unanswered questions in the N=(0,2)-deformed CP(N-1) model with twisted masses. In particular, we complete the program of solving the CP(N-1) model with twisted masses in the large-N limit. In A. Gorsky, M. Shifman, and A. Yung, Phys. Rev. D 73, 065011 (2006), a nonsupersymmetric version of the model with the Z{sub N} symmetric twisted masses was analyzed in the framework of Witten's method. In M. Shifman and A. Yung, Phys. Rev. D 77, 125017 (2008), this analysis was extended: the large-N solution of the heterotic N=(0,2) CP(N-1) model with no twisted masses was found. Heremore » we solve this model with the twisted masses switched on. Dynamical scenarios at large and small m are studied (m is the twisted-mass scale). We found three distinct phases and two phase transitions on the m plane. Two phases with the spontaneously broken Z{sub N} symmetry are separated by a phase with unbroken Z{sub N}. This latter phase is characterized by a unique vacuum and confinement of all U(1) charged fields (''quarks''). In the broken phases (one of them is at strong coupling) there are N degenerate vacua and no confinement, similarly to the situation in the N=(2,2) model. Supersymmetry is spontaneously broken everywhere except a circle |m|={Lambda} in the Z{sub N}-unbroken phase. Related issues are considered. In particular, we discuss the mirror representation for the heterotic model in a certain limiting case.« less

First-principles calculations, experimental study, and thermodynamic modeling of the Al-Co-Cr system.

PubMed

Liu, Xuan L; Gheno, Thomas; Lindahl, Bonnie B; Lindwall, Greta; Gleeson, Brian; Liu, Zi-Kui

2015-01-01

The phase relations and thermodynamic properties of the condensed Al-Co-Cr ternary alloy system are investigated using first-principles calculations based on density functional theory (DFT) and phase-equilibria experiments that led to X-ray diffraction (XRD) and electron probe micro-analysis (EPMA) measurements. A thermodynamic description is developed by means of the calculations of phase diagrams (CALPHAD) method using experimental and computational data from the present work and the literature. Emphasis is placed on modeling the bcc-A2, B2, fcc-γ, and tetragonal-σ phases in the temperature range of 1173 to 1623 K. Liquid, bcc-A2 and fcc-γ phases are modeled using substitutional solution descriptions. First-principles special quasirandom structures (SQS) calculations predict a large bcc-A2 (disordered)/B2 (ordered) miscibility gap, in agreement with experiments. A partitioning model is then used for the A2/B2 phase to effectively describe the order-disorder transitions. The critically assessed thermodynamic description describes all phase equilibria data well. A2/B2 transitions are also shown to agree well with previous experimental findings.

Liquid-liquid phase transition in an ionic model of silica

NASA Astrophysics Data System (ADS)

Chen, Renjie; Lascaris, Erik; Palmer, Jeremy C.

2017-06-01

Recent equation of state calculations [E. Lascaris, Phys. Rev. Lett. 116, 125701 (2016)] for an ionic model of silica suggest that it undergoes a density-driven, liquid-liquid phase transition (LLPT) similar to the controversial transition hypothesized to exist in deeply supercooled water. Here, we perform extensive free energy calculations to scrutinize the model's low-temperature phase behavior and confirm the existence of a first-order phase transition between two liquids with identical compositions but different densities. The low-density liquid (LDL) exhibits tetrahedral order, which is partially disrupted in the high-density liquid (HDL) by the intrusion of additional particles into the primary neighbor shell. Histogram reweighting methods are applied to locate conditions of HDL-LDL coexistence and the liquid spinodals that bound the two-phase region. Spontaneous liquid-liquid phase separation is also observed directly in large-scale molecular dynamics simulations performed inside the predicted two-phase region. Given its clear LLPT, we anticipate that this model may serve as a paradigm for understanding whether similar transitions occur in water and other tetrahedral liquids.

Disturbed diurnal rhythm of three classical phase markers in the chronic mild stress rat model of depression.

PubMed

Christiansen, S L; Højgaard, K; Wiborg, O; Bouzinova, E V

2016-09-01

Disturbances of circadian rhythms have been suggested to be a causal factor in the development of major depressive disorder. However, the mechanisms underlying the association between circadian rhythm abnormalities and mood disorders are still unknown. In the current study the association between diurnal pattern of key phase markers (melatonin, corticosterone, and core body temperature) and anhedonic-like behavior was investigated using the highly validated rat chronic mild stress (CMS) model of depression. Phase marker measurements were done after 3.5 weeks of CMS in 48 control rats and 48 anhedonic-like rats at 6 time points within 24h. The results showed that anhedonic-like behavior associates with changes in all three phase markers: an increased dark phase melatonin secretion, an additional peak in corticosterone level in the beginning of the light phase, and hypothermia in the dark phase. The result adds to the validity of the CMS model in general and in particular to be adequate as a model for studying the chronobiology of depressive disorder. Copyright © 2016 Elsevier Ireland Ltd and Japan Neuroscience Society. All rights reserved.

Topology-driven phase transitions in the classical monomer-dimer-loop model.

PubMed

Li, Sazi; Li, Wei; Chen, Ziyu

2015-06-01

In this work, we investigate the classical loop models doped with monomers and dimers on a square lattice, whose partition function can be expressed as a tensor network (TN). In the thermodynamic limit, we use the boundary matrix product state technique to contract the partition function TN, and determine the thermodynamic properties with high accuracy. In this monomer-dimer-loop model, we find a second-order phase transition between a trivial monomer-condensation and a loop-condensation (LC) phase, which cannot be distinguished by any local order parameter, while nevertheless the two phases have distinct topological properties. In the LC phase, we find two degenerate dominating eigenvalues in the transfer-matrix spectrum, as well as a nonvanishing (nonlocal) string order parameter, both of which identify the topological ergodicity breaking in the LC phase and can serve as the order parameter for detecting the phase transitions.

Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

DOE PAGES

Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

2014-09-04

We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV 4O 9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to themore » Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

A self-resetting spiking phase-change neuron

NASA Astrophysics Data System (ADS)

Cobley, R. A.; Hayat, H.; Wright, C. D.

2018-05-01

Neuromorphic, or brain-inspired, computing applications of phase-change devices have to date concentrated primarily on the implementation of phase-change synapses. However, the so-called accumulation mode of operation inherent in phase-change materials and devices can also be used to mimic the integrative properties of a biological neuron. Here we demonstrate, using physical modelling of nanoscale devices and SPICE modelling of associated circuits, that a single phase-change memory cell integrated into a comparator type circuit can deliver a basic hardware mimic of an integrate-and-fire spiking neuron with self-resetting capabilities. Such phase-change neurons, in combination with phase-change synapses, can potentially open a new route for the realisation of all-phase-change neuromorphic computing.

A self-resetting spiking phase-change neuron.

PubMed

Cobley, R A; Hayat, H; Wright, C D

2018-05-11

Neuromorphic, or brain-inspired, computing applications of phase-change devices have to date concentrated primarily on the implementation of phase-change synapses. However, the so-called accumulation mode of operation inherent in phase-change materials and devices can also be used to mimic the integrative properties of a biological neuron. Here we demonstrate, using physical modelling of nanoscale devices and SPICE modelling of associated circuits, that a single phase-change memory cell integrated into a comparator type circuit can deliver a basic hardware mimic of an integrate-and-fire spiking neuron with self-resetting capabilities. Such phase-change neurons, in combination with phase-change synapses, can potentially open a new route for the realisation of all-phase-change neuromorphic computing.

Ice polyamorphism in the minimal Mercedes-Benz model of water.

PubMed

Cartwright, Julyan H E; Piro, Oreste; Sánchez, Pedro A; Sintes, Tomás

2012-12-28

We investigate ice polyamorphism in the context of the two-dimensional Mercedes-Benz model of water. We find a first-order phase transition between a crystalline phase and a high-density amorphous phase. Furthermore, we find a reversible transformation between two amorphous structures of high and low density; however, we find this to be a continuous and not an abrupt transition, as the low-density amorphous phase does not show structural stability. We discuss the origin of this behavior and its implications with regard to the minimal generic modeling of polyamorphism.

Ice polyamorphism in the minimal Mercedes-Benz model of water

NASA Astrophysics Data System (ADS)

Cartwright, Julyan H. E.; Piro, Oreste; Sánchez, Pedro A.; Sintes, Tomás

2012-12-01

We investigate ice polyamorphism in the context of the two-dimensional Mercedes-Benz model of water. We find a first-order phase transition between a crystalline phase and a high-density amorphous phase. Furthermore, we find a reversible transformation between two amorphous structures of high and low density; however, we find this to be a continuous and not an abrupt transition, as the low-density amorphous phase does not show structural stability. We discuss the origin of this behavior and its implications with regard to the minimal generic modeling of polyamorphism.

System identification of propagating wave segments in excitable media and its application to advanced control

NASA Astrophysics Data System (ADS)

Katsumata, Hisatoshi; Konishi, Keiji; Hara, Naoyuki

2018-04-01

The present paper proposes a scheme for controlling wave segments in excitable media. This scheme consists of two phases: in the first phase, a simple mathematical model for wave segments is derived using only the time series data of input and output signals for the media; in the second phase, the model derived in the first phase is used in an advanced control technique. We demonstrate with numerical simulations of the Oregonator model that this scheme performs better than a conventional control scheme.

Kinetic modeling of sporulation and product formation in stationary phase by Bacillus coagulans RK-02 vis-à-vis other Bacilli.

PubMed

Das, Subhasish; Sen, Ramkrishna

2011-10-01

A logistic kinetic model was derived and validated to characterize the dynamics of a sporogenous bacterium in stationary phase with respect to sporulation and product formation. The kinetic constants as determined using this model are particularly important for describing intrinsic properties of a sporogenous bacterial culture in stationary phase. Non-linear curve fitting of the experimental data into the mathematical model showed very good correlation with the predicted values for sporulation and lipase production by Bacillus coagulans RK-02 culture in minimal media. Model fitting of literature data of sporulation and product (protease and amylase) formation in the stationary phase by some other Bacilli and comparison of the results of model fitting with those of Bacillus coagulans helped validate the significance and robustness of the developed kinetic model. Copyright © 2011 Elsevier Ltd. All rights reserved.

Extended lattice Boltzmann scheme for droplet combustion.

PubMed

Ashna, Mostafa; Rahimian, Mohammad Hassan; Fakhari, Abbas

2017-05-01

The available lattice Boltzmann (LB) models for combustion or phase change are focused on either single-phase flow combustion or two-phase flow with evaporation assuming a constant density for both liquid and gas phases. To pave the way towards simulation of spray combustion, we propose a two-phase LB method for modeling combustion of liquid fuel droplets. We develop an LB scheme to model phase change and combustion by taking into account the density variation in the gas phase and accounting for the chemical reaction based on the Cahn-Hilliard free-energy approach. Evaporation of liquid fuel is modeled by adding a source term, which is due to the divergence of the velocity field being nontrivial, in the continuity equation. The low-Mach-number approximation in the governing Navier-Stokes and energy equations is used to incorporate source terms due to heat release from chemical reactions, density variation, and nonluminous radiative heat loss. Additionally, the conservation equation for chemical species is formulated by including a source term due to chemical reaction. To validate the model, we consider the combustion of n-heptane and n-butanol droplets in stagnant air using overall single-step reactions. The diameter history and flame standoff ratio obtained from the proposed LB method are found to be in good agreement with available numerical and experimental data. The present LB scheme is believed to be a promising approach for modeling spray combustion.

Translating landfill methane generation parameters among first-order decay models.

PubMed

Krause, Max J; Chickering, Giles W; Townsend, Timothy G

2016-11-01

Landfill gas (LFG) generation is predicted by a first-order decay (FOD) equation that incorporates two parameters: a methane generation potential (L 0 ) and a methane generation rate (k). Because non-hazardous waste landfills may accept many types of waste streams, multiphase models have been developed in an attempt to more accurately predict methane generation from heterogeneous waste streams. The ability of a single-phase FOD model to predict methane generation using weighted-average methane generation parameters and tonnages translated from multiphase models was assessed in two exercises. In the first exercise, waste composition from four Danish landfills represented by low-biodegradable waste streams was modeled in the Afvalzorg Multiphase Model and methane generation was compared to the single-phase Intergovernmental Panel on Climate Change (IPCC) Waste Model and LandGEM. In the second exercise, waste composition represented by IPCC waste components was modeled in the multiphase IPCC and compared to single-phase LandGEM and Australia's Solid Waste Calculator (SWC). In both cases, weight-averaging of methane generation parameters from waste composition data in single-phase models was effective in predicting cumulative methane generation from -7% to +6% of the multiphase models. The results underscore the understanding that multiphase models will not necessarily improve LFG generation prediction because the uncertainty of the method rests largely within the input parameters. A unique method of calculating the methane generation rate constant by mass of anaerobically degradable carbon was presented (k c ) and compared to existing methods, providing a better fit in 3 of 8 scenarios. Generally, single phase models with weighted-average inputs can accurately predict methane generation from multiple waste streams with varied characteristics; weighted averages should therefore be used instead of regional default values when comparing models. Translating multiphase first-order decay model input parameters by weighted average shows that single-phase models can predict cumulative methane generation within the level of uncertainty of many of the input parameters as defined by the Intergovernmental Panel on Climate Change (IPCC), which indicates that decreasing the uncertainty of the input parameters will make the model more accurate rather than adding multiple phases or input parameters.

A semi-empirical model for the complete orientation dependence of the growth rate for vapor phase epitaxy - Chloride VPE of GaAs

NASA Technical Reports Server (NTRS)

Seidel-Salinas, L. K.; Jones, S. H.; Duva, J. M.

1992-01-01

A semi-empirical model has been developed to determine the complete crystallographic orientation dependence of the growth rate for vapor phase epitaxy (VPE). Previous researchers have been able to determine this dependence for a limited range of orientations; however, our model yields relative growth rate information for any orientation. This model for diamond and zincblende structure materials is based on experimental growth rate data, gas phase diffusion, and surface reactions. Data for GaAs chloride VPE is used to illustrate the model. The resulting growth rate polar diagrams are used in conjunction with Wulff constructions to simulate epitaxial layer shapes as grown on patterned substrates. In general, this model can be applied to a variety of materials and vapor phase epitaxy systems.

On the relation between phase-field crack approximation and gradient damage modelling

NASA Astrophysics Data System (ADS)

Steinke, Christian; Zreid, Imadeddin; Kaliske, Michael

2017-05-01

The finite element implementation of a gradient enhanced microplane damage model is compared to a phase-field model for brittle fracture. Phase-field models and implicit gradient damage models share many similarities despite being conceived from very different standpoints. In both approaches, an additional differential equation and a length scale are introduced. However, while the phase-field method is formulated starting from the description of a crack in fracture mechanics, the gradient method starts from a continuum mechanics point of view. At first, the scope of application for both models is discussed to point out intersections. Then, the analysis of the employed mathematical methods and their rigorous comparison are presented. Finally, numerical examples are introduced to illustrate the findings of the comparison which are summarized in a conclusion at the end of the paper.

Understanding agent-based models of financial markets: A bottom-up approach based on order parameters and phase diagrams

NASA Astrophysics Data System (ADS)

Lye, Ribin; Tan, James Peng Lung; Cheong, Siew Ann

2012-11-01

We describe a bottom-up framework, based on the identification of appropriate order parameters and determination of phase diagrams, for understanding progressively refined agent-based models and simulations of financial markets. We illustrate this framework by starting with a deterministic toy model, whereby N independent traders buy and sell M stocks through an order book that acts as a clearing house. The price of a stock increases whenever it is bought and decreases whenever it is sold. Price changes are updated by the order book before the next transaction takes place. In this deterministic model, all traders based their buy decisions on a call utility function, and all their sell decisions on a put utility function. We then make the agent-based model more realistic, by either having a fraction fb of traders buy a random stock on offer, or a fraction fs of traders sell a random stock in their portfolio. Based on our simulations, we find that it is possible to identify useful order parameters from the steady-state price distributions of all three models. Using these order parameters as a guide, we find three phases: (i) the dead market; (ii) the boom market; and (iii) the jammed market in the phase diagram of the deterministic model. Comparing the phase diagrams of the stochastic models against that of the deterministic model, we realize that the primary effect of stochasticity is to eliminate the dead market phase.

Evaluating and improving cloud phase in the Community Atmosphere Model version 5 using spaceborne lidar observations

NASA Astrophysics Data System (ADS)

Kay, Jennifer E.; Bourdages, Line; Miller, Nathaniel B.; Morrison, Ariel; Yettella, Vineel; Chepfer, Helene; Eaton, Brian

2016-04-01

Spaceborne lidar observations from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) satellite are used to evaluate cloud amount and cloud phase in the Community Atmosphere Model version 5 (CAM5), the atmospheric component of a widely used state-of-the-art global coupled climate model (Community Earth System Model). By embedding a lidar simulator within CAM5, the idiosyncrasies of spaceborne lidar cloud detection and phase assignment are replicated. As a result, this study makes scale-aware and definition-aware comparisons between model-simulated and observed cloud amount and cloud phase. In the global mean, CAM5 has insufficient liquid cloud and excessive ice cloud when compared to CALIPSO observations. Over the ice-covered Arctic Ocean, CAM5 has insufficient liquid cloud in all seasons. Having important implications for projections of future sea level rise, a liquid cloud deficit contributes to a cold bias of 2-3°C for summer daily maximum near-surface air temperatures at Summit, Greenland. Over the midlatitude storm tracks, CAM5 has excessive ice cloud and insufficient liquid cloud. Storm track cloud phase biases in CAM5 maximize over the Southern Ocean, which also has larger-than-observed seasonal variations in cloud phase. Physical parameter modifications reduce the Southern Ocean cloud phase and shortwave radiation biases in CAM5 and illustrate the power of the CALIPSO observations as an observational constraint. The results also highlight the importance of using a regime-based, as opposed to a geographic-based, model evaluation approach. More generally, the results demonstrate the importance and value of simulator-enabled comparisons of cloud phase in models used for future climate projection.

Three-phase boundary length in solid-oxide fuel cells: A mathematical model

NASA Astrophysics Data System (ADS)

Janardhanan, Vinod M.; Heuveline, Vincent; Deutschmann, Olaf

A mathematical model to calculate the volume specific three-phase boundary length in the porous composite electrodes of solid-oxide fuel cell is presented. The model is exclusively based on geometrical considerations accounting for porosity, particle diameter, particle size distribution, and solids phase distribution. Results are presented for uniform particle size distribution as well as for non-uniform particle size distribution.

Airflow and Particle Transport Through Human Airways: A Systematic Review

NASA Astrophysics Data System (ADS)

Kharat, S. B.; Deoghare, A. B.; Pandey, K. M.

2017-08-01

This paper describes review of the relevant literature about two phase analysis of air and particle flow through human airways. An emphasis of the review is placed on elaborating the steps involved in two phase analysis, which are Geometric modelling methods and Mathematical models. The first two parts describes various approaches that are followed for constructing an Airway model upon which analysis are conducted. Broad two categories of geometric modelling viz. Simplified modelling and Accurate modelling using medical scans are discussed briefly. Ease and limitations of simplified models, then examples of CT based models are discussed. In later part of the review different mathematical models implemented by researchers for analysis are briefed. Mathematical models used for Air and Particle phases are elaborated separately.

Investigating gas-phase defect formation in late-stage solidification using a novel phase-field crystal alloy model

NASA Astrophysics Data System (ADS)

Wang, Nan; Smith, Nathan; Provatas, Nikolas

2017-09-01

We study late-stage solidification and the associated formation of defects in alloy materials using a novel model based on the phase-field-crystal technique. It is shown that our model successfully captures several important physical phenomena that occur in the late stages of solidification, including solidification shrinkage, liquid cavitation and microsegregation, all in a single framework. By examining the interplay of solidification shrinkage and solute segregation, this model reveals that the formation of gas pore defects at the late stage of solidification can lead to nucleation of second phase solid particles due to solute enrichment in the eutectic liquid driven by gas-phase nucleation and growth. We also predict a modification of the Gulliver-Scheil equation in the presence of gas pockets in confined liquid pools.

Topological Sachdev-Ye-Kitaev model

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Zhai, Hui

2018-05-01

In this Rapid Communication, we construct a large-N exactly solvable model to study the interplay between interaction and topology, by connecting the Sachdev-Ye-Kitaev (SYK) model with constant hopping. The hopping forms a band structure that can exhibit both topologically trivial and nontrivial phases. Starting from a topologically trivial insulator with zero Hall conductance, we show that the interaction can drive a phase transition to a topologically nontrivial insulator with quantized nonzero Hall conductance, and a single gapless Dirac fermion emerges when the interaction is fine tuned to the critical point. The finite temperature effect is also considered, and we show that the topological phase with a stronger interaction is less stable against temperature. Our model provides a concrete example to illustrate the interacting topological phases and phase transitions, and can shed light on similar problems in physical systems.

A theoretical model of grain boundary self-diffusion in metals with phase transitions (case study into titanium and zirconium)

NASA Astrophysics Data System (ADS)

Semenycheva, Alexandra V.; Chuvil'deev, Vladimir N.; Nokhrin, Aleksey V.

2018-05-01

The paper offers a model describing the process of grain boundary self-diffusion in metals with phase transitions in the solid state. The model is based on ideas and approaches found in the theory of non-equilibrium grain boundaries. The range of application of basic relations contained in this theory is shown to expand, as they can be used to calculate the parameters of grain boundary self-diffusion in high-temperature and low-temperature phases of metals with a phase transition. The model constructed is used to calculate grain boundary self-diffusion activation energy in titanium and zirconium and an explanation is provided as to their abnormally low values in the low-temperature phase. The values of grain boundary self-diffusion activation energy are in good agreement with the experiment.

Phase-field crystal modeling of compositional domain formation in ultrathin films.

PubMed

Muralidharan, Srevatsan; Haataja, Mikko

2010-09-17

Bulk-immiscible binary systems often form stress-induced miscible alloy phases when deposited on a substrate. Both alloying and surface dislocation formation lead to the decrease of the elastic strain energy, and the competition between these two strain-relaxation mechanisms gives rise to the emergence of pseudomorphic compositional nanoscale domains, often coexisting with a partially coherent single phase. In this work, we develop a phase-field crystal model for compositional patterning in monolayer aggregates of binary metallic systems. We first demonstrate that the model naturally incorporates the competition between alloying and misfit dislocations, and quantify the effects of misfit and line tension on equilibrium domain size. Then, we quantitatively relate the parameters of the phase-field crystal model to a specific system, CoAg/Ru(0001), and demonstrate that the simulations capture experimentally observed morphologies.

Experimental study of phase equilibria and thermodynamic optimization of the Fe-Zn-O system

NASA Astrophysics Data System (ADS)

Degterov, Sergei A.; Pelton, Arthur D.; Jak, Evgueni; Hayes, Peter C.

2001-08-01

The Fe-Zn-O phase diagram in air was studied over the temperature range from 900 °C to 1500 °C. The compositions of the phases in quenched samples were obtained by electron probe X-ray microanalysis (EPMA). This experimental technique is not affected by zinc losses resulting from vaporization of zinc at high temperatures. The model for the spinel solid solution was developed within the framework of the compound-energy formalism (CEF). The choice of parameters of the CEF and the sequence of their optimization can have a major influence on the predictions in multicomponent phases. These choices can only be made rationally by reference to the specific model being represented in the CEF. This is discussed for the case of the two-sublattice spinel model. In the limiting case, the proposed model reduces to the model by O’Neill and Navrotsky for spinels. When the CEF is used in combination with the equation of Hillert and Jarl to describe the magnetic contribution to thermodynamic functions of a solution, it is necessary to assign certain values of magnetic properties to all pseudocomponents and to magnetic interaction parameters to obtain the most reasonable approximation of the magnetic properties of a solution. It was shown how this can be done based on very limited experimental data. The same equations can be used when the Murnaghan or the Birch-Murnaghan equation is combined with the CEF to describe the pressure dependence of thermodynamic functions. The polynomial model was used to describe the properties of wustite and zincite, and the modified quasichemical model was used for the liquid slag. All thermodynamic and phase-equilibria data on the Fe-O and Fe-Zn-O systems were critically evaluated, and parameters of the models were optimized to give a self-consistent set of thermodynamic functions of the phases in these systems. All experimental data are reproduced within experimental error limits. These include the thermodynamic properties of phases (such as specific heat, heat content, entropy, enthalpy, and Gibbs energy); the cation distribution between octahedral and tetrahedral sites in spinel; the oxygen partial pressure over single-phase, two-phase, and three-phase regions; the phase boundaries (liquidus, solidus, and subsolidus); and the tie-lines.

Two kinds of phase transitions in a voting model

NASA Astrophysics Data System (ADS)

Hisakado, M.; Mori, S.

2012-08-01

In this paper, we discuss a voting model with two candidates, C0 and C1. We consider two types of voters—herders and independents. The voting of independents is based on their fundamental values, while the voting of herders is based on the number of previous votes. We can identify two kinds of phase transitions. One is an information cascade transition similar to a phase transition seen in the Ising model. The other is a transition of super and normal diffusions. These phase transitions coexist. We compared our results to the conclusions of experiments and identified the phase transitions in the upper limit of the time t by using the analysis of human behavior obtained from experiments.

Geometry in transition in four dimensions: A model of emergent geometry in the early universe

NASA Astrophysics Data System (ADS)

Ydri, Badis; Khaled, Ramda; Ahlam, Rouag

2016-10-01

We study a six matrix model with global S O (3 )×S O (3 ) symmetry containing at most quartic powers of the matrices. This theory exhibits a phase transition from a geometrical phase at low temperature to a Yang-Mills matrix phase with no background geometrical structure at high temperature. This is an exotic phase transition in the same universality class as the three matrix model but with important differences. The geometrical phase is determined dynamically, as the system cools, and is given by a fuzzy sphere background SN2×SN2, with an Abelian gauge field which is very weakly coupled to two normal scalar fields.

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

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

Li, Yulan; Hu, Shenyang Y.; Sun, Xin

2011-06-15

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubblemore » evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.« less

MODELING MULTICOMPONENT ORGANIC CHEMICAL TRANSPORT IN THREE-FLUID-PHASE POROUS MEDIA

EPA Science Inventory

A two dimensional finite-element model was developed to predict coupled transient flow and multicomponent transport of organic chemicals which can partition between NAPL, water, gas and solid phases in porous media under the assumption of local chemical equilibrium. as-phase pres...

MODELING MULTICOMPONENT ORGANIC CHEMICAL TRANSPORT IN THREE FLUID PHASE POROUS MEDIA

EPA Science Inventory

A two-dimensional finite-element model was developed to predict coupled transient flow and multicomponent transport of organic chemicals which can partition between nonaqueous phase liquid, water, gas and solid phases in porous media under the assumption of local chemical equilib...

Phase Structure of Strong-Field Tunneling Wave Packets from Molecules.

PubMed

Liu, Ming-Ming; Li, Min; Wu, Chengyin; Gong, Qihuang; Staudte, André; Liu, Yunquan

2016-04-22

We study the phase structure of the tunneling wave packets from strong-field ionization of molecules and present a molecular quantum-trajectory Monte Carlo model to describe the laser-driven dynamics of photoelectron momentum distributions of molecules. Using our model, we reproduce and explain the alignment-dependent molecular frame photoelectron spectra of strong-field tunneling ionization of N_{2} reported by M. Meckel et al. [Nat. Phys. 10, 594 (2014)]. In addition to modeling the low-energy photoelectron angular distributions quantitatively, we extract the phase structure of strong-field molecular tunneling wave packets, shedding light on its physical origin. The initial phase of the tunneling wave packets at the tunnel exit depends on both the initial transverse momentum distribution and the molecular internuclear distance. We further show that the ionizing molecular orbital has a critical effect on the initial phase of the tunneling wave packets. The phase structure of the photoelectron wave packet is a key ingredient for modeling strong-field molecular photoelectron holography, high-harmonic generation, and molecular orbital imaging.

Collective behavior of coupled nonuniform stochastic oscillators

NASA Astrophysics Data System (ADS)

Assis, Vladimir R. V.; Copelli, Mauro

2012-02-01

Theoretical studies of synchronization are usually based on models of coupled phase oscillators which, when isolated, have constant angular frequency. Stochastic discrete versions of these uniform oscillators have also appeared in the literature, with equal transition rates among the states. Here we start from the model recently introduced by Wood et al. [K. Wood, C. Van den Broeck, R. Kawai, K. Lindenberg, Universality of synchrony: critical behavior in a discrete model of stochastic phase-coupled oscillators, Phys. Rev. Lett. 96 (2006) 145701], which has a collectively synchronized phase, and parametrically modify the phase-coupled oscillators to render them (stochastically) nonuniform. We show that, depending on the nonuniformity parameter 0≤α≤1, a mean field analysis predicts the occurrence of several phase transitions. In particular, the phase with collective oscillations is stable for the complete graph only for α≤α‧<1. At α=1 the oscillators become excitable elements and the system has an absorbing state. In the excitable regime, no collective oscillations were found in the model.

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

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

Michael R Tonks; Derek R Gaston; Paul C Millett

2012-01-01

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of newmore » models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.« less

Large bond-dimension time-evolution block decimation study of the XXZ quantum spin chains of S = 1/2 and 1

NASA Astrophysics Data System (ADS)

Choi, Hwan Bin; Lee, Ji-Woo

2017-09-01

We study quantum phase transitions of a XXZ spin model with spin S = 1/2 and 1 in one dimension. The XXZ spin chain is one of basic models in understanding various one-dimensional magnetic materials. To study this model, we construct infinite-lattice matrix product state (iMPS), which is a tensor product form for a one-dimensional many-body quantum wave function. By using timeevolution- block-decimation method (TEBD) on iMPS, we obtain the ground states of the XXZ model at zero temperature. This method is very delicate in calculating ground states so that we developed a reliable method of finding the ground state with the dimension of entanglement coefficients up to 300, which is beyond the previous works. By analyzing ground-state energies, half-chain entanglement entropies, and entanglement spectrum, we found the signatures of quantum phase transitions between ferromagnetic phase, XY phase, Haldane phase, and antiferromagnetic phase.

Phase diagram of the Hubbard-Holstein model on a four-leg tube system at quarter filling

NASA Astrophysics Data System (ADS)

Reja, Sahinur; Nishimoto, Satoshi

2018-06-01

We derive an effective electronic Hamiltonian for the square lattice Hubbard-Holstein model (HHM) in the strong electron-electron (e -e ) and electron-phonon (e -p h ) coupling regime and under nonadiabatic conditions (t /ω0≤1 ), t and ω0 being the electron hopping and phonon frequency respectively. Using the density matrix renormalization-group method, we simulate this effective electronic model on a four-leg cylinder system at quarter filling and present a phase diagram in the g -U plane where g and U are the e -p h coupling constant and Hubbard on-site interaction respectively. For larger g , we find that a cluster of spins, i.e., phase separation (PS), gives way to a charge density wave (CDW) phase made of nearest-neighbor singlets which abruptly goes to another CDW phase as we increase U . But for smaller g , we find a metallic phase sandwiched between PS and the singlet CDW phase. This phase is characterized by a vanishing charge gap but a finite spin gap, suggesting a singlet superconducting phase.

Reflection full-waveform inversion using a modified phase misfit function

NASA Astrophysics Data System (ADS)

Cui, Chao; Huang, Jian-Ping; Li, Zhen-Chun; Liao, Wen-Yuan; Guan, Zhe

2017-09-01

Reflection full-waveform inversion (RFWI) updates the low- and highwavenumber components, and yields more accurate initial models compared with conventional full-waveform inversion (FWI). However, there is strong nonlinearity in conventional RFWI because of the lack of low-frequency data and the complexity of the amplitude. The separation of phase and amplitude information makes RFWI more linear. Traditional phase-calculation methods face severe phase wrapping. To solve this problem, we propose a modified phase-calculation method that uses the phase-envelope data to obtain the pseudo phase information. Then, we establish a pseudophase-information-based objective function for RFWI, with the corresponding source and gradient terms. Numerical tests verify that the proposed calculation method using the phase-envelope data guarantees the stability and accuracy of the phase information and the convergence of the objective function. The application on a portion of the Sigsbee2A model and comparison with inversion results of the improved RFWI and conventional FWI methods verify that the pseudophase-based RFWI produces a highly accurate and efficient velocity model. Moreover, the proposed method is robust to noise and high frequency.

Cost effective management of space venture risks

NASA Technical Reports Server (NTRS)

Giuntini, Ronald E.; Storm, Richard E.

1986-01-01

The development of a model for the cost-effective management of space venture risks is discussed. The risk assessment and control program of insurance companies is examined. A simplified system development cycle which consists of a conceptual design phase, a preliminary design phase, a final design phase, a construction phase, and a system operations and maintenance phase is described. The model incorporates insurance safety risk methods and reliability engineering, and testing practices used in the development of large aerospace and defense systems.

Individualized Inservice Teacher Education (Project In-Step). Evaluation Report. Phase III.

ERIC Educational Resources Information Center

Thurber, John C.

This is a report on the third phase of Project IN-STEP, which was intended to develop a viable model for individualized, multi-media in-service teacher education programs. (Phase I and II are reported in ED 033 905, and ED 042 709). The rationale for Phase III was to see if the model could be successfully transferred to an area other than teaching…

Application of Precipitate Free Zone Growth Kinetics to the β-Phase Depletion Behavior in a CoNiCrAlY Coating Alloy: An Analytical Approach

NASA Astrophysics Data System (ADS)

Chen, H.

2018-06-01

This paper concerns the β-phase depletion kinetics of a thermally sprayed free-standing CoNiCrAlY (Co-31.7 pct Ni-20.8 pct Cr-8.1 pct Al-0.5 pct Y, all in wt pct) coating alloy. An analytical β-phase depletion model based on the precipitate free zone growth kinetics was developed to calculate the β-phase depletion kinetics during isothermal oxidation. This approach, which accounts for the molar volume of the alloy, the interfacial energy of the γ/ β interface, and the Al concentration at γ/ γ + β boundary, requires the Al concentrations in the β-phase depletion zone as the input rather than the oxidation kinetics at the oxide/coating interface. The calculated β-phase depletion zones derived from the current model were compared with experimental results. It is shown that the calculated β-phase depletion zones using the current model are in reasonable agreement with those obtained experimentally. The constant compositional terms used in the model are likely to cause the discrepancies between the model predictions and experimental results. This analytical approach, which shows a reasonable correlation with experimental results, demonstrates a good reliability in the fast evaluation on lifetime prediction of MCrAlY coatings.

Application of Precipitate Free Zone Growth Kinetics to the β-Phase Depletion Behavior in a CoNiCrAlY Coating Alloy: An Analytical Approach

NASA Astrophysics Data System (ADS)

Chen, H.

2018-03-01

This paper concerns the β-phase depletion kinetics of a thermally sprayed free-standing CoNiCrAlY (Co-31.7 pct Ni-20.8 pct Cr-8.1 pct Al-0.5 pct Y, all in wt pct) coating alloy. An analytical β-phase depletion model based on the precipitate free zone growth kinetics was developed to calculate the β-phase depletion kinetics during isothermal oxidation. This approach, which accounts for the molar volume of the alloy, the interfacial energy of the γ/β interface, and the Al concentration at γ/γ + β boundary, requires the Al concentrations in the β-phase depletion zone as the input rather than the oxidation kinetics at the oxide/coating interface. The calculated β-phase depletion zones derived from the current model were compared with experimental results. It is shown that the calculated β-phase depletion zones using the current model are in reasonable agreement with those obtained experimentally. The constant compositional terms used in the model are likely to cause the discrepancies between the model predictions and experimental results. This analytical approach, which shows a reasonable correlation with experimental results, demonstrates a good reliability in the fast evaluation on lifetime prediction of MCrAlY coatings.

Dynamical Galam model

NASA Astrophysics Data System (ADS)

Cheon, Taksu; Galam, Serge

2018-06-01

We introduce a model of temporal evolution of political opinions which amounts to a dynamical extension of Galam model in which the proportions of inflexibles are treated as dynamical variables. We find that the critical value of inflexibles in the original Galam model now turns into a fixed point of the system whose stability controls the phase trajectory of the political opinions. The appearance of two phases is found, in which majority-preserving and regime-changing limit cycles are respectively dominant, and the phase transition between them is observed.

Multi-dimensional rheology-based two-phase model for sediment transport and applications to sheet flow and pipeline scour

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

Lee, Cheng-Hsien; Department of Water Resources and Environmental Engineering, Tamkang University, New Taipei City 25137, Taiwan; Low, Ying Min, E-mail: ceelowym@nus.edu.sg

2016-05-15

Sediment transport is fundamentally a two-phase phenomenon involving fluid and sediments; however, many existing numerical models are one-phase approaches, which are unable to capture the complex fluid-particle and inter-particle interactions. In the last decade, two-phase models have gained traction; however, there are still many limitations in these models. For example, several existing two-phase models are confined to one-dimensional problems; in addition, the existing two-dimensional models simulate only the region outside the sand bed. This paper develops a new three-dimensional two-phase model for simulating sediment transport in the sheet flow condition, incorporating recently published rheological characteristics of sediments. The enduring-contact, inertial,more » and fluid viscosity effects are considered in determining sediment pressure and stresses, enabling the model to be applicable to a wide range of particle Reynolds number. A k − ε turbulence model is adopted to compute the Reynolds stresses. In addition, a novel numerical scheme is proposed, thus avoiding numerical instability caused by high sediment concentration and allowing the sediment dynamics to be computed both within and outside the sand bed. The present model is applied to two classical problems, namely, sheet flow and scour under a pipeline with favorable results. For sheet flow, the computed velocity is consistent with measured data reported in the literature. For pipeline scour, the computed scour rate beneath the pipeline agrees with previous experimental observations. However, the present model is unable to capture vortex shedding; consequently, the sediment deposition behind the pipeline is overestimated. Sensitivity analyses reveal that model parameters associated with turbulence have strong influence on the computed results.« less

Pharmacodynamic Modeling of Cell Cycle Effects for Gemcitabine and Trabectedin Combinations in Pancreatic Cancer Cells

PubMed Central

Miao, Xin; Koch, Gilbert; Ait-Oudhia, Sihem; Straubinger, Robert M.; Jusko, William J.

2016-01-01

Combinations of gemcitabine and trabectedin exert modest synergistic cytotoxic effects on two pancreatic cancer cell lines. Here, systems pharmacodynamic (PD) models that integrate cellular response data and extend a prototype model framework were developed to characterize dynamic changes in cell cycle phases of cancer cell subpopulations in response to gemcitabine and trabectedin as single agents and in combination. Extensive experimental data were obtained for two pancreatic cancer cell lines (MiaPaCa-2 and BxPC-3), including cell proliferation rates over 0–120 h of drug exposure, and the fraction of cells in different cell cycle phases or apoptosis. Cell cycle analysis demonstrated that gemcitabine induced cell cycle arrest in S phase, and trabectedin induced transient cell cycle arrest in S phase that progressed to G2/M phase. Over time, cells in the control group accumulated in G0/G1 phase. Systems cell cycle models were developed based on observed mechanisms and were used to characterize both cell proliferation and cell numbers in the sub G1, G0/G1, S, and G2/M phases in the control and drug-treated groups. The proposed mathematical models captured well both single and joint effects of gemcitabine and trabectedin. Interaction parameters were applied to quantify unexplainable drug-drug interaction effects on cell cycle arrest in S phase and in inducing apoptosis. The developed models were able to identify and quantify the different underlying interactions between gemcitabine and trabectedin, and captured well our large datasets in the dimensions of time, drug concentrations, and cellular subpopulations. PMID:27895579

Phases of a fermionic model with chiral condensates and Cooper pairs in 1+1 dimensions

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

Mihaila, Bogdan; Blagoev, Krastan B.; MIND Institute, Albuquerque, New Mexico 87131

2006-01-01

We study the phase structure of a 4-fermi model with three bare coupling constants, which potentially has three types of bound states. This model is a generalization of the model discussed previously by [A. Chodos, F. Cooper, W. Mao, H. Minakata, and A. Singh, Phys. Rev. D 61, 045011 (2000).], which contained both chiral condensates and Cooper pairs. For this generalization we find that there are two independent renormalized coupling constants which determine the phase structure at finite density and temperature. We find that the vacuum can be in one of three distinct phases depending on the value of thesemore » two renormalized coupling constants.« less

A theoretical and experimental study of turbulent evaporating sprays

NASA Technical Reports Server (NTRS)

Solomon, A. S. P.; Shuen, J. S.; Zhang, Q. F.; Faeth, G. M.

1984-01-01

Measurements and analysis limited to the dilute portions of turbulent evaporating sprays, injected into a still air environment were completed. Mean and fluctuating velocities and Reynolds stress were measured in the continuous phase. Liquid phase measurements included liquid mass fluxes, drop sizes and drop size and velocity correlation. Initial conditions needed for model evaluation were measured at a location as close to the injector exit as possible. The test sprays showed significant effects of slip and turbulent dispersion of the discrete phase. The measurements were used to evaluate three typical models of these processes: (1) a locally homogeneous flow (LHF) model, where slip between the phases were neglected; (2) a deterministic separated flow (DSF) model, where slip was considered but effects of drop dispersion by turbulence were ignored; and (3) a stochastic separated flow (SSF) model, where effects of interphase slip and turbulent dispersion were considered using random-walk computations for drop motion. For all three models, a k-epsilon model as used to find the properties of the continuous phase. The LHF and DSF models did not provide very satisfactory predictions for the present measurements. In contrast, the SSF model performed reasonably well--with no modifications in the prescription of eddy properties from its original calibration.

Development and Validation of an in vitro Experimental GastroIntestinal Dialysis Model with Colon Phase to Study the Availability and Colonic Metabolisation of Polyphenolic Compounds.

PubMed

Breynaert, Annelies; Bosscher, Douwina; Kahnt, Ariane; Claeys, Magda; Cos, Paul; Pieters, Luc; Hermans, Nina

2015-08-01

The biological effects of polyphenols depend on their mechanism of action in the body. This is affected by bioconversion by colon microbiota and absorption of colonic metabolites. We developed and validated an in vitro continuous flow dialysis model with colon phase (GastroIntestinal dialysis model with colon phase) to study the gastrointestinal metabolism and absorption of phenolic food constituents. Chlorogenic acid was used as model compound. The physiological conditions during gastrointestinal digestion were mimicked. A continuous flow dialysis system simulated the one-way absorption by passive diffusion from lumen to mucosa. The colon phase was developed using pooled faecal suspensions. Several methodological aspects including implementation of an anaerobic environment, adapted Wilkins Chalgren broth medium, 1.10(8) CFU/mL bacteria suspension as inoculum, pH adaptation to 5.8 and implementation of the dialysis system were conducted. Validation of the GastroIntestinal dialysis model with colon phase system showed a good recovery and precision (CV < 16 %). Availability of chlorogenic acid in the small intestinal phase (37 ± 3 %) of the GastroIntestinal dialysis model with colon phase is comparable with in vivo studies on ileostomy patients. In the colon phase, the human faecal microbiota deconjugated chlorogenic acid to caffeic acid, 3,4-dihydroxyphenyl propionic acid, 4-hydroxybenzoic acid, 3- or 4-hydroxyphenyl acetic acid, 2-methoxy-4-methylphenol and 3-phenylpropionic acid. The GastroIntestinal dialysis model with colon phase is a new, reliable gastrointestinal simulation system. It permits a fast and easy way to predict the availability of complex secondary metabolites, and to detect metabolites in an early stage after digestion. Isolation and identification of these metabolites may be used as references for in vivo bioavailability experiments and for investigating their bioactivity in in vitro experiments. Georg Thieme Verlag KG Stuttgart · New York.

Probing the role of ceramide hydroxylation in skin barrier lipid models by 2H solid-state NMR spectroscopy and X-ray powder diffraction.

PubMed

Kováčik, Andrej; Vogel, Alexander; Adler, Juliane; Pullmannová, Petra; Vávrová, Kateřina; Huster, Daniel

2018-05-01

In this work, we studied model stratum corneum lipid mixtures composed of the hydroxylated skin ceramides N-lignoceroyl 6-hydroxysphingosine (Cer[NH]) and α-hydroxylignoceroyl phytosphingosine (Cer[AP]). Two model skin lipid mixtures of the composition Cer[NH] or Cer[AP], N-lignoceroyl sphingosine (Cer[NS]), lignoceric acid (C24:0) and cholesterol in a 0.5:0.5:1:1 molar ratio were compared. Model membranes were investigated by differential scanning calorimetry and 2 H solid-state NMR spectroscopy at temperatures from 25 °C to 80 °C. Each component of the model mixture was specifically deuterated for selective detection by 2 H NMR. Thus, the exact phase composition of the mixture at varying temperatures could be quantified. Moreover, using X-ray powder diffraction we investigated the lamellar phase formation. From the solid-state NMR and DSC studies, we found that both hydroxylated Cer[NH] and Cer[AP] exhibit a similar phase behavior. At physiological skin temperature of 32 °C, the lipids form a crystalline (orthorhombic) phase. With increasing temperature, most of the lipids become fluid and form a liquid-crystalline phase, which converts to the isotropic phase at higher temperatures (65-80 °C). Interestingly, lignoceric acid in the Cer[NH]-containing mixture has a tendency to form two types of fluid phases at 65 °C. This tendency was also observed in Cer[AP]-containing membranes at 80 °C. While Cer[AP]-containing lipid models formed a short periodicity phase featuring a repeat spacing of d = 5.4 nm, in the Cer[NH]-based model skin lipid membranes, the formation of unusual long periodicity phase with a repeat spacing of d = 10.7 nm was observed. Copyright © 2018 Elsevier B.V. All rights reserved.

A Riemann solver for single-phase and two-phase shallow flow models based on relaxation. Relations with Roe and VFRoe solvers

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

Pelanti, Marica, E-mail: Marica.Pelanti@ens.f; Bouchut, Francois, E-mail: francois.bouchut@univ-mlv.f; Mangeney, Anne, E-mail: mangeney@ipgp.jussieu.f

2011-02-01

We present a Riemann solver derived by a relaxation technique for classical single-phase shallow flow equations and for a two-phase shallow flow model describing a mixture of solid granular material and fluid. Our primary interest is the numerical approximation of this two-phase solid/fluid model, whose complexity poses numerical difficulties that cannot be efficiently addressed by existing solvers. In particular, we are concerned with ensuring a robust treatment of dry bed states. The relaxation system used by the proposed solver is formulated by introducing auxiliary variables that replace the momenta in the spatial gradients of the original model systems. The resultingmore » relaxation solver is related to Roe solver in that its Riemann solution for the flow height and relaxation variables is formally computed as Roe's Riemann solution. The relaxation solver has the advantage of a certain degree of freedom in the specification of the wave structure through the choice of the relaxation parameters. This flexibility can be exploited to handle robustly vacuum states, which is a well known difficulty of standard Roe's method, while maintaining Roe's low diffusivity. For the single-phase model positivity of flow height is rigorously preserved. For the two-phase model positivity of volume fractions in general is not ensured, and a suitable restriction on the CFL number might be needed. Nonetheless, numerical experiments suggest that the proposed two-phase flow solver efficiently models wet/dry fronts and vacuum formation for a large range of flow conditions. As a corollary of our study, we show that for single-phase shallow flow equations the relaxation solver is formally equivalent to the VFRoe solver with conservative variables of Gallouet and Masella [T. Gallouet, J.-M. Masella, Un schema de Godunov approche C.R. Acad. Sci. Paris, Serie I, 323 (1996) 77-84]. The relaxation interpretation allows establishing positivity conditions for this VFRoe method.« less

Accurate, efficient, and (iso)geometrically flexible collocation methods for phase-field models

NASA Astrophysics Data System (ADS)

Gomez, Hector; Reali, Alessandro; Sangalli, Giancarlo

2014-04-01

We propose new collocation methods for phase-field models. Our algorithms are based on isogeometric analysis, a new technology that makes use of functions from computational geometry, such as, for example, Non-Uniform Rational B-Splines (NURBS). NURBS exhibit excellent approximability and controllable global smoothness, and can represent exactly most geometries encapsulated in Computer Aided Design (CAD) models. These attributes permitted us to derive accurate, efficient, and geometrically flexible collocation methods for phase-field models. The performance of our method is demonstrated by several numerical examples of phase separation modeled by the Cahn-Hilliard equation. We feel that our method successfully combines the geometrical flexibility of finite elements with the accuracy and simplicity of pseudo-spectral collocation methods, and is a viable alternative to classical collocation methods.

The Effect of Gabapentin and Ketorolac on Allodynia and Conditioned Place Preference in Antibody-Induced Inflammation

PubMed Central

Park, HJ; Sandor, K; McQueen, J; Woller, SA; Svensson, CI; Corr, MP; Yaksh, TL

2018-01-01

Background Glucose-6-phosphate isomerase and collagen type II antibody induced arthritis models (K/BxN and CAIA, respectively) have an inflammatory and a post-inflammatory phase. Both phases display robust tactile allodynia. In previous work, inflammatory phase allodynia was reversed by gabapentin and ketorolac, whereas in late phase only gabapentin was effective. Here we sought to determine if the effects of these two drugs during the early and late phases of the two arthritis models were observed in the conditioned place preference (CPP) paradigm, indicating a differential drug effect on the aversive state. Methods Male C57BL/6 mice received K/BxN serum intraperitoneally, while male BALB/c mice received collagen type II antibody cocktail intravenously. After onset of inflammation and allodynia, we assessed effects of i.p. gabapentin (100 mg/kg) or ketorolac (15 mg/kg) using a CPP paradigm: 2 days adaptation, 2 days conditioning (vehicle in morning and drug in afternoon), preference testing on day 5. Results Consistent with the effects upon allodynia, both gabapentin and ketorolac produced a preference for the drug-paired compartment in the early phase of the K/BxN model, while gabapentin, but not ketorolac, resulted in a place preference during late phase. In the CAIA model, consistent with differential effects upon allodynia, gabapentin produced a preference in the early phase and a trend in the late phase, whereas ketorolac was ineffective at either time. Conclusions CPP validated the aversive state in the inflammatory and post-inflammatory phases of the K/BxN and CAIA arthritis models and correspondence between the anti-hyperpathic pharmacology as defined by thresholds and CPP. PMID:26517300

The effect of gabapentin and ketorolac on allodynia and conditioned place preference in antibody-induced inflammation.

PubMed

Park, H J; Sandor, K; McQueen, J; Woller, S A; Svensson, C I; Corr, M; Yaksh, T L

2016-07-01

Glucose-6-phosphate isomerase and collagen type II antibody-induced arthritis models (K/BxN and CAIA, respectively) have an inflammatory and a post-inflammatory phase. Both phases display robust tactile allodynia. In previous work, inflammatory phase allodynia was reversed by gabapentin and ketorolac, whereas in late phase only gabapentin was effective. Here, we sought to determine if the effects of these two drugs during the early and late phases of the two arthritis models were observed in the conditioned place preference (CPP) paradigm, indicating a differential drug effect on the aversive state. Male C57BL/6 mice received K/BxN serum intraperitoneally, while male BALB/c mice received collagen type II antibody cocktail intravenously. After onset of inflammation and allodynia, we assessed effects of i.p. gabapentin (100 mg/kg) or ketorolac (15 mg/kg) using a CPP paradigm: 2 days adaptation, 2 days conditioning (vehicle in morning and drug in afternoon), preference testing on day 5. Consistent with the effects upon allodynia, both gabapentin and ketorolac produced a preference for the drug-paired compartment in the early phase of the K/BxN model, while gabapentin, but not ketorolac, resulted in a place preference during late phase. In the CAIA model, consistent with differential effects upon allodynia, gabapentin produced a preference in the early phase and a trend in the late phase, whereas ketorolac was ineffective at either time. CPP validated the aversive state in the inflammatory and post-inflammatory phases of the K/BxN and CAIA arthritis models and correspondence between the anti-hyperpathic pharmacology as defined by thresholds and CPP. © 2015 European Pain Federation - EFIC®

Carrier-envelope phase dynamics and noise analysis in octave-spanning Ti:sapphire lasers.

PubMed

Matos, Lia; Mücke, Oliver D; Chen, Jian; Kärtner, Franz X

2006-03-20

We investigate the carrier-envelope phase dynamics of octave-spanning Ti:sapphire lasers and perform a complete noise analysis of the carrier-envelope phase stabilization. We model the effect of the laser dynamics on the residual carrier-envelope phase noise by deriving a transfer function representation of the octave-spanning frequency comb. The modelled phase noise and the experimental results show excellent agreement. This greatly enhances our capability of predicting the dependence of the residual carrier-envelope phase noise on the feedback loop filter, the carrier-envelope frequency control mechanism and the pump laser used.

A Pseudo-Vertical Equilibrium Model for Slow Gravity Drainage Dynamics

NASA Astrophysics Data System (ADS)

Becker, Beatrix; Guo, Bo; Bandilla, Karl; Celia, Michael A.; Flemisch, Bernd; Helmig, Rainer

2017-12-01

Vertical equilibrium (VE) models are computationally efficient and have been widely used for modeling fluid migration in the subsurface. However, they rely on the assumption of instant gravity segregation of the two fluid phases which may not be valid especially for systems that have very slow drainage at low wetting phase saturations. In these cases, the time scale for the wetting phase to reach vertical equilibrium can be several orders of magnitude larger than the time scale of interest, rendering conventional VE models unsuitable. Here we present a pseudo-VE model that relaxes the assumption of instant segregation of the two fluid phases by applying a pseudo-residual saturation inside the plume of the injected fluid that declines over time due to slow vertical drainage. This pseudo-VE model is cast in a multiscale framework for vertically integrated models with the vertical drainage solved as a fine-scale problem. Two types of fine-scale models are developed for the vertical drainage, which lead to two pseudo-VE models. Comparisons with a conventional VE model and a full multidimensional model show that the pseudo-VE models have much wider applicability than the conventional VE model while maintaining the computational benefit of the conventional VE model.

Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Welland, M. J.; Cha, W.; Liu, Y.; Kim, J. W.; Harder, R.; Maxey, E.; Clark, J. N.; Highland, M. J.; You, H.; Zapol, P.; Hruszkewycz, S. O.; Stephenson, G. B.

2017-05-01

Crystallographic imperfections significantly alter material properties and their response to external stimuli, including solute-induced phase transformations. Despite recent progress in imaging defects using electron and X-ray techniques, in situ three-dimensional imaging of defect dynamics remains challenging. Here, we use Bragg coherent diffractive imaging to image defects during the hydriding phase transformation of palladium nanocrystals. During constant-pressure experiments we observe that the phase transformation begins after dislocation nucleation close to the phase boundary in particles larger than 300 nm. The three-dimensional phase morphology suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than to the core-shell model commonly assumed. We substantiate this using three-dimensional phase field modelling, demonstrating how phase morphology affects the critical size for dislocation nucleation. Our results reveal how particle size and phase morphology affects transformations in the PdH system.

Pore-scale modeling of phase change in porous media

NASA Astrophysics Data System (ADS)

Juanes, Ruben; Cueto-Felgueroso, Luis; Fu, Xiaojing

2017-11-01

One of the main open challenges in pore-scale modeling is the direct simulation of flows involving multicomponent mixtures with complex phase behavior. Reservoir fluid mixtures are often described through cubic equations of state, which makes diffuse interface, or phase field theories, particularly appealing as a modeling framework. What is still unclear is whether equation-of-state-driven diffuse-interface models can adequately describe processes where surface tension and wetting phenomena play an important role. Here we present a diffuse interface model of single-component, two-phase flow (a van der Waals fluid) in a porous medium under different wetting conditions. We propose a simplified Darcy-Korteweg model that is appropriate to describe flow in a Hele-Shaw cell or a micromodel, with a gap-averaged velocity. We study the ability of the diffuse-interface model to capture capillary pressure and the dynamics of vaporization/condensation fronts, and show that the model reproduces pressure fluctuations that emerge from abrupt interface displacements (Haines jumps) and from the break-up of wetting films.

Atomic density functional and diagram of structures in the phase field crystal model

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

Ankudinov, V. E., E-mail: vladimir@ankudinov.org; Galenko, P. K.; Kropotin, N. V.

2016-02-15

The phase field crystal model provides a continual description of the atomic density over the diffusion time of reactions. We consider a homogeneous structure (liquid) and a perfect periodic crystal, which are constructed from the one-mode approximation of the phase field crystal model. A diagram of 2D structures is constructed from the analytic solutions of the model using atomic density functionals. The diagram predicts equilibrium atomic configurations for transitions from the metastable state and includes the domains of existence of homogeneous, triangular, and striped structures corresponding to a liquid, a body-centered cubic crystal, and a longitudinal cross section of cylindricalmore » tubes. The method developed here is employed for constructing the diagram for the homogeneous liquid phase and the body-centered iron lattice. The expression for the free energy is derived analytically from density functional theory. The specific features of approximating the phase field crystal model are compared with the approximations and conclusions of the weak crystallization and 2D melting theories.« less

Finite-size effects in Luther-Emery phases of Holstein and Hubbard models

NASA Astrophysics Data System (ADS)

Greitemann, J.; Hesselmann, S.; Wessel, S.; Assaad, F. F.; Hohenadler, M.

2015-12-01

The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable.

The global phase diagram of the Gay-Berne model

NASA Astrophysics Data System (ADS)

de Miguel, Enrique; Vega, Carlos

2002-10-01

The phase diagram of the Gay-Berne model with anisotropy parameters κ=3, κ'=5 has been evaluated by means of computer simulations. For a number of temperatures, NPT simulations were performed for the solid phase leading to the determination of the free energy of the solid at a reference density. Using the equation of state and free energies of the isotropic and nematic phases available in the existing literature the fluid-solid equilibrium was calculated for the temperatures selected. Taking these fluid-solid equilibrium results as the starting points, the fluid-solid equilibrium curve was determined for a wide range of temperatures using Gibbs-Duhem integration. At high temperatures the sequence of phases encountered on compression is isotropic to nematic, and then nematic to solid. For reduced temperatures below T=0.85 the sequence is from the isotropic phase directly to the solid state. In view of this we locate the isotropic-nematic-solid triple point at TINS=0.85. The present results suggest that the high-density phase designated smectic B in previous simulations of the model is in fact a molecular solid and not a smectic liquid crystal. It seems that no thermodynamically stable smectic phase appears for the Gay-Berne model with the choice of parameters used in this work. We locate the vapor-isotropic liquid-solid triple point at a temperature TVIS=0.445. Considering that the critical temperatures is Tc=0.473, the Gay-Berne model used in this work presents vapor-liquid separation over a rather narrow range of temperatures. It is suggested that the strong lateral attractive interactions present in the Gay-Berne model stabilizes the layers found in the solid phase. The large stability of the solid phase, particularly at low temperatures, would explain the unexpectedly small liquid range observed in the vapor-liquid region.

Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

NASA Astrophysics Data System (ADS)

Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

2016-01-01

The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.

The rheology of three-phase suspensions at low bubble capillary number

PubMed Central

Truby, J. M.; Mueller, S. P.; Llewellin, E. W.; Mader, H. M.

2015-01-01

We develop a model for the rheology of a three-phase suspension of bubbles and particles in a Newtonian liquid undergoing steady flow. We adopt an ‘effective-medium’ approach in which the bubbly liquid is treated as a continuous medium which suspends the particles. The resulting three-phase model combines separate two-phase models for bubble suspension rheology and particle suspension rheology, which are taken from the literature. The model is validated against new experimental data for three-phase suspensions of bubbles and spherical particles, collected in the low bubble capillary number regime. Good agreement is found across the experimental range of particle volume fraction (0≤ϕp≲0.5) and bubble volume fraction (0≤ϕb≲0.3). Consistent with model predictions, experimental results demonstrate that adding bubbles to a dilute particle suspension at low capillarity increases its viscosity, while adding bubbles to a concentrated particle suspension decreases its viscosity. The model accounts for particle anisometry and is easily extended to account for variable capillarity, but has not been experimentally validated for these cases. PMID:25568617

Thermal effects in two-phase flow through face seals. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Basu, Prithwish

1988-01-01

When liquid is sealed at high temperature, it flashes inside the seal due to pressure drop and/or viscous heat dissipation. Two-phase seals generally exhibit more erratic behavior than their single phase counterparts. Thermal effects, which are often neglected in single phase seal analyses, play an important role in determining seal behavior under two-phase operation. It is necessary to consider the heat generation due to viscous shear, conduction into the seal rings and convection with the leakage flow. Analytical models developed work reasonably well at the two extremes - for low leakage rates when convection is neglected and for higher leakage rates when conduction is neglected. A preliminary model, known as the Film Coefficient Model, is presented which considers conduction and convection both, and allows continuous boiling over an extended region unlike the previous low-leakage rate model which neglects convection and always forces a discrete boiling interface. Another simplified, semi-analytical model, based on the assumption of isothermal conditions along the seal interafce, has been developed for low leakage rates. The Film Coefficient Model may be used for more accurate and realistic description.

A computer model for high-latitude phase scintillation based on wideband satellite data from Poker Flat

NASA Astrophysics Data System (ADS)

Fremouw, E. J.; Lansinger, J. M.

1981-02-01

A mathematical model has been developed for describing plasma-density irregularities responsible for radiowave scintillation produced in the auroral ionosphere, and the model has been committed to an applications-oriented computer code, WBMOD. The model characterizes the three-dimensional configuration, gradient sharpness, and height-integrated strength of irregularities represented by a power-law spatial spectrum as functions of geomagnetic latitude, time of day, sunspot number, and planetary geomagnetic activity index. Program WBMOD permits calculation of the power-law index and spectral strength (at a fluctuation frequency of 1 Hz) of phase scintillation, together with scintillation indices (variances) for phase and intensity, using a phase-screen scattering theory. The model has been calibrated and iteratively tested against phase-scintillation data from the DNA Wideband Satellite Experiment, collected at Poker Flat, Alaska. It does not account for seasonal variations in high-latitude scintillation observed in other longitude sectors. The program contains a model for middle-latitude and equatorial irregularities as well as for auroral latitudes, but only the latter has been tested extensively against high-quality scintillation data.

Thermally coupled moving boundary model for charge-discharge of LiFePO4/C cells

NASA Astrophysics Data System (ADS)

Khandelwal, Ashish; Hariharan, Krishnan S.; Gambhire, Priya; Kolake, Subramanya Mayya; Yeo, Taejung; Doo, Seokgwang

2015-04-01

Optimal thermal management is a key requirement in commercial utilization of lithium ion battery comprising of phase change electrodes. In order to facilitate design of battery packs, thermal management systems and fast charging profiles, a thermally coupled electrochemical model that takes into account the phase change phenomenon is required. In the present work, an electrochemical thermal model is proposed which includes the biphasic nature of phase change electrodes, such as lithium iron phosphate (LFP), via a generalized moving boundary model. The contribution of phase change to the heat released during the cell operation is modeled using an equivalent enthalpy approach. The heat released due to phase transformation is analyzed in comparison with other sources of heat such as reversible, irreversible and ohmic. Detailed study of the thermal behavior of the individual cell components with changing ambient temperature, rate of operation and heat transfer coefficient is carried out. Analysis of heat generation in the various regimes is used to develop cell design and operating guidelines. Further, different charging protocols are analyzed and a model based methodology is suggested to design an efficient quick charging protocol.

Communication: phase transitions, criticality, and three-phase coexistence in constrained cell models.

PubMed

Nayhouse, Michael; Kwon, Joseph Sang-Il; Orkoulas, G

2012-05-28

In simulation studies of fluid-solid transitions, the solid phase is usually modeled as a constrained system in which each particle is confined to move in a single Wigner-Seitz cell. The constrained cell model has been used in the determination of fluid-solid coexistence via thermodynamic integration and other techniques. In the present work, the phase diagram of such a constrained system of Lennard-Jones particles is determined from constant-pressure simulations. The pressure-density isotherms exhibit inflection points which are interpreted as the mechanical stability limit of the solid phase. The phase diagram of the constrained system contains a critical and a triple point. The temperature and pressure at the critical and the triple point are both higher than those of the unconstrained system due to the reduction in the entropy caused by the single occupancy constraint.

Energy content of stormtime ring current from phase space mapping simulations

NASA Technical Reports Server (NTRS)

Chen, Margaret W.; Schulz, Michael; Lyons, Larry R.

1993-01-01

We perform a phase space mapping study to estimate the enhancement in energy content that results from stormtime particle transport in the equatorial magnetosphere. Our pre-storm phase space distribution is based on a steady-state transport model. Using results from guiding-center simulations of ion transport during model storms having main phases of 3 hr, 6 hr, and 12 hr, we map phase space distributions of ring current protons from the pre-storm distribution in accordance with Liouville's theorem. We find that transport can account for the entire ten to twenty-fold increase in magnetospheric particle energy content typical of a major storm if a realistic stormtime enhancement of the phase space density f is imposed at the nightside tail plasma sheet (represented by an enhancement of f at the neutral line in our model).

An experimental and theoretical evaluation of increased thermal diffusivity phase change devices

NASA Technical Reports Server (NTRS)

White, S. P.; Golden, J. O.; Stermole, F. J.

1972-01-01

This study was to experimentally evaluate and mathematically model the performance of phase change thermal control devices containing high thermal conductivity metal matrices. Three aluminum honeycomb filters were evaluated at five different heat flux levels using n-oct-adecane as the test material. The system was mathematically modeled by approximating the partial differential equations with a three-dimensional implicit alternating direction technique. The mathematical model predicts the system quite well. All of the phase change times are predicted. The heating of solid phase is predicted exactly while there is some variation between theoretical and experimental results in the liquid phase. This variation in the liquid phase could be accounted for by the fact that there are some heat losses in the cell and there could be some convection in the experimental system.

Evolution of Secondary Phases Formed upon Solidification of a Ni-Based Alloy

NASA Astrophysics Data System (ADS)

Zuo, Qiang; Liu, Feng; Wang, Lei; Chen, Changfeng

2013-07-01

The solidification of UNS N08028 alloy subjected to different cooling rates was studied, where primary austenite dendrites occur predominantly and different amounts of sigma phase form in the interdendritic regions. The solidification path and elemental segregation upon solidification were simulated using the CALPHAD method, where THERMO-CALC software packages and two classical segregation models were employed to predict the real process. It is thus revealed that the interdendritic sigma phase is formed via eutectic reaction at the last stage of solidification. On this basis, an analytical model was developed to predict the evolution of nonequilibrium eutectic phase, while the isolated morphology of sigma phase can be described using divorced eutectic theory. Size, fraction, and morphology of the sigma phase were quantitatively studied by a series of experiments; the results are in good agreement with the model prediction.

Majorana-Hubbard model on the square lattice

NASA Astrophysics Data System (ADS)

Affleck, Ian; Rahmani, Armin; Pikulin, Dmitry

2017-09-01

We study a tight-binding model of interacting Majorana (Hermitian) modes on a square lattice. The model may have an experimental realization in a superconducting-film-topological-insulator heterostructure in a magnetic field. We find a rich phase diagram, as a function of interaction strength, including an emergent superfluid phase with spontaneous breaking of an emergent U (1 ) symmetry, separated by a supersymmetric transition from a gapless normal phase.

Formation of complex organic molecules in cold objects: the role of gas-phase reactions

NASA Astrophysics Data System (ADS)

Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

2015-04-01

While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas-phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm ( ≳ 30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain-surface and gas-phase chemistry. We propose here a new model to form DME and MF with gas-phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthesized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairly well the observations towards L1544. It also explains, in a natural way, the observed correlation between DME and MF. We conclude that gas-phase reactions are major actors in the formation of MF, DME and methoxy in cold gas. This challenges the exclusive role of grain-surface chemistry and favours a combined grain-gas chemistry.

Investigating Stage-Sequential Growth Mixture Models with Multiphase Longitudinal Data

ERIC Educational Resources Information Center

Kim, Su-Young; Kim, Jee-Seon

2012-01-01

This article investigates three types of stage-sequential growth mixture models in the structural equation modeling framework for the analysis of multiple-phase longitudinal data. These models can be important tools for situations in which a single-phase growth mixture model produces distorted results and can allow researchers to better understand…

Self-Organization in 2D Traffic Flow Model with Jam-Avoiding Drive

NASA Astrophysics Data System (ADS)

Nagatani, Takashi

1995-04-01

A stochastic cellular automaton (CA) model is presented to investigate the traffic jam by self-organization in the two-dimensional (2D) traffic flow. The CA model is the extended version of the 2D asymmetric exclusion model to take into account jam-avoiding drive. Each site contains either a car moving to the up, a car moving to the right, or is empty. A up car can shift right with probability p ja if it is blocked ahead by other cars. It is shown that the three phases (the low-density phase, the intermediate-density phase and the high-density phase) appear in the traffic flow. The intermediate-density phase is characterized by the right moving of up cars. The jamming transition to the high-density jamming phase occurs with higher density of cars than that without jam-avoiding drive. The jamming transition point p 2c increases with the shifting probability p ja. In the deterministic limit of p ja=1, it is found that a new jamming transition occurs from the low-density synchronized-shifting phase to the high-density moving phase with increasing density of cars. In the synchronized-shifting phase, all up cars do not move to the up but shift to the right by synchronizing with the move of right cars. We show that the jam-avoiding drive has an important effect on the dynamical jamming transition.

Simulations of irradiated-enhanced segregation and phase separation in Fe-Cu-Mn alloys

NASA Astrophysics Data System (ADS)

Li, Boyan; Hu, Shenyang; Li, Chengliang; Li, Qiulin; Chen, Jun; Shu, Guogang; Henager, Chuck, Jr.; Weng, Yuqing; Xu, Ben; Liu, Wei

2017-09-01

For reactor pressure vessel steels, the addition of Cu, Mn, and Ni has a positive effect on their mechanical, corrosion and radiation resistance properties. However, experiments show that radiation-enhanced segregation and/or phase separation is one of the important material property degradation processes. In this work, we develop a model integrating rate theory and phase-field approaches to investigate the effect of irradiation on solute segregation and phase separation. The rate theory is used to describe the accumulation and clustering of radiation defects, while the phase-field approach describes the effect of radiation defects on phase stability and microstructure evolution. The Fe-Cu-Mn ternary alloy is taken as a model system. The free energies used in the phase-field model are from CALPHAD. Spatial dependent radiation damage from atomistic simulations is introduced into the simulation cell for a given radiation dose rate. The radiation effect on segregation and phase separation is taken into account through the defect concentration dependence of solute mobility. Using the model, the effect of temperature and radiation rates on Cu and Mn segregation and Cu-rich phase nucleation were systematically investigated. The segregation and nucleation mechanisms were analyzed. The simulations demonstrate that the nucleus of Cu precipitates has a core-shell composition profile, i.e. Cu-rich at the center and Mn-rich at the interface, in good agreement with theoretical calculations as well as experimental observations.

Implications of Low Volatility SOA and Gas-Phase Fragmentation Reactions on SOA Loadings and their Spatial and Temporal Evolution in the Atmosphere

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

Shrivastava, ManishKumar B.; Zelenyuk, Alla; Imre, Dan

2013-04-27

Recent laboratory and field measurements by a number of groups show that secondary organic aerosol (SOA) evaporates orders of magnitude slower than traditional models assume. In addition, chemical transport models using volatility basis set (VBS) SOA schemes neglect gas-phase fragmentation reactions, which are known to be extremely important. In this work, we present modeling studies to investigate the implications of non-evaporating SOA and gas-phase fragmentation reactions. Using the 3-D chemical transport model, WRF-Chem, we show that previous parameterizations, which neglect fragmentation during multi-generational gas-phase chemistry of semi-volatile/inter-mediate volatility organics ("aging SIVOC"), significantly over-predict SOA as compared to aircraft measurements downwindmore » of Mexico City. In sharp contrast, the revised models, which include gas-phase fragmentation, show much better agreement with measurements downwind of Mexico City. We also demonstrate complex differences in spatial SOA distributions when we transform SOA to non-volatile secondary organic aerosol (NVSOA) to account for experimental observations. Using a simple box model, we show that for same amount of SOA precursors, earlier models that do not employ multi-generation gas-phase chemistry of precursors ("non-aging SIVOC"), produce orders of magnitude lower SOA than "aging SIVOC" parameterizations both with and without fragmentation. In addition, traditional absorptive partitioning models predict almost complete SOA evaporation at farther downwind locations for both "non-aging SIVOC" and "aging SIVOC" with fragmentation. In contrast, in our revised approach, SOA transformed to NVSOA implies significantly higher background concentrations as it remains in particle phase even under highly dilute conditions. This work has significant implications on understanding the role of multi-generational chemistry and NVSOA formation on SOA evolution in the atmosphere.« less

A set of constitutive relationships accounting for residual NAPL in the unsaturated zone.

PubMed

Wipfler, E L; van der Zee, S E

2001-07-01

Although laboratory experiments show that non-aqueous phase liquid (NAPL) is retained in the unsaturated zone, no existing multiphase flow model has been developed to account for residual NAPL after NAPL drainage in the unsaturated zone. We developed a static constitutive set of saturation-capillary pressure relationships for water, NAPL and air that accounts for both this residual NAPL and entrapped NAPL. The set of constitutive relationships is formulated similarly to the set of scaled relationships that is frequently applied in continuum models. The new set consists of three fluid-phase systems: a three-phase system and a two-phase system, that both comply with the original constitutive model, and a newly introduced residual NAPL system. The new system can be added relatively easily to the original two- and three-phase systems. Entrapment is included in the model. The constitutive relationships of the non-drainable residual NAPL system are based on qualitative fluid behavior derived from a pore scale model. The pore scale model reveals that the amount of residual NAPL depends on the spreading coefficient and the water saturation. Furthermore, residual NAPL is history-dependent. At the continuum scale, a critical NAPL pressure head defines the transition from free, mobile NAPL to residual NAPL. Although the Pc-S relationships for water and total liquid are not independent in case of residual NAPL, two two-phase Pc-S relations can represent a three-phase residual system of Pc-S relations. A newly introduced parameter, referred to as the residual oil pressure head, reflects the mutual dependency of water and oil. Example calculations show consistent behavior of the constitutive model. Entrapment and retention in the unsaturated zone cooperate to retain NAPL. Moreover, the results of our constitutive model are in agreement with experimental observations.

Thermodynamic model of social influence on two-dimensional square lattice: Case for two features

NASA Astrophysics Data System (ADS)

Genzor, Jozef; Bužek, Vladimír; Gendiar, Andrej

2015-02-01

We propose a thermodynamic multi-state spin model in order to describe equilibrial behavior of a society. Our model is inspired by the Axelrod model used in social network studies. In the framework of the statistical mechanics language, we analyze phase transitions of our model, in which the spin interaction J is interpreted as a mutual communication among individuals forming a society. The thermal fluctuations introduce a noise T into the communication, which suppresses long-range correlations. Below a certain phase transition point Tt, large-scale clusters of the individuals, who share a specific dominant property, are formed. The measure of the cluster sizes is an order parameter after spontaneous symmetry breaking. By means of the Corner transfer matrix renormalization group algorithm, we treat our model in the thermodynamic limit and classify the phase transitions with respect to inherent degrees of freedom. Each individual is chosen to possess two independent features f = 2 and each feature can assume one of q traits (e.g. interests). Hence, each individual is described by q2 degrees of freedom. A single first-order phase transition is detected in our model if q > 2, whereas two distinct continuous phase transitions are found if q = 2 only. Evaluating the free energy, order parameters, specific heat, and the entanglement von Neumann entropy, we classify the phase transitions Tt(q) in detail. The permanent existence of the ordered phase (the large-scale cluster formation with a non-zero order parameter) is conjectured below a non-zero transition point Tt(q) ≈ 0.5 in the asymptotic regime q → ∞.

A four phase development model for integrated care services in the Netherlands

PubMed Central

Minkman, Mirella MN; Ahaus, Kees TB; Huijsman, Robbert

2009-01-01

Background Multidisciplinary and interorganizational arrangements for the delivery of coherent integrated care are being developed in a large number of countries. Although there are many integrated care programs worldwide, the process of developing these programs and interorganizational collaboration is described in the literature only to a limited extent. The purpose of this study is to explore how local integrated care services are developed in the Netherlands, and to conceptualize and operationalize a development model of integrated care. Methods The research is based on an expert panel study followed by a two-part questionnaire, designed to identify the development process of integrated care. Essential elements of integrated care, which were developed in a previous Delphi and Concept Mapping Study, were analyzed in relation to development process of integrated care. Results Integrated care development can be characterized by four developmental phases: the initiative and design phase; the experimental and execution phase; the expansion and monitoring phase; and the consolidation and transformation phase. Different elements of integrated care have been identified in the various developmental phases. Conclusion The findings provide a descriptive model of the development process that integrated care services can undergo in the Netherlands. The findings have important implications for integrated care services, which can use the model as an instrument to reflect on their current practices. The model can be used to help to identify improvement areas in practice. The model provides a framework for developing evaluation designs for integrated care arrangements. Further research is recommended to test the developed model in practice and to add international experiences. PMID:19261176

Underground Test Area Subproject Phase I Data Analysis Task. Volume VII - Tritium Transport Model Documentation Package

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

None

Volume VII of the documentation for the Phase I Data Analysis Task performed in support of the current Regional Flow Model, Transport Model, and Risk Assessment for the Nevada Test Site Underground Test Area Subproject contains the tritium transport model documentation. Because of the size and complexity of the model area, a considerable quantity of data was collected and analyzed in support of the modeling efforts. The data analysis task was consequently broken into eight subtasks, and descriptions of each subtask's activities are contained in one of the eight volumes that comprise the Phase I Data Analysis Documentation.

The application of single particle hydrodynamics in continuum models of multiphase flow

NASA Technical Reports Server (NTRS)

Decker, Rand

1988-01-01

A review of the application of single particle hydrodynamics in models for the exchange of interphase momentum in continuum models of multiphase flow is presented. Considered are the equations of motion for a laminar, mechanical two phase flow. Inherent to this theory is a model for the interphase exchange of momentum due to drag between the dispersed particulate and continuous fluid phases. In addition, applications of two phase flow theory to de-mixing flows require the modeling of interphase momentum exchange due to lift forces. The applications of single particle analysis in deriving models for drag and lift are examined.

Theory, modelling and calibration of passive samplers used in water monitoring: Chapter 7

USGS Publications Warehouse

Booij, K.; Vrana, B.; Huckins, James N.; Greenwood, Richard B.; Mills, Graham; Vrana, B.

2007-01-01

This chapter discusses contaminant uptake by a passive sampling device (PSD) that consists of a central sorption phase, surrounded by a membrane. A variety of models has been used over the past few years to better understand the kinetics of contaminant transfer to passive samplers. These models are essential for understanding how the amounts of absorbed contaminants relate to ambient concentrations, as well as for the design and evaluation of calibration experiments. Models differ in the number of phases and simplifying assumptions that are taken into consideration, such as the existence of (pseudo-) steady-state conditions, the presence or absence of linear concentration gradients within the membrane phase, the way in which transport within the WBL is modeled and whether or not the aqueous concentration is constant during the sampler exposure. The chapter introduces the basic concepts and models used in the literature on passive samplers for the special case of triolein-containing semipermeable membrane devices (SPMDs). These can easily be extended to samplers with more or with less sorption phases. It also discusses the transport of chemicals through the various phases constituting PSDs. the implications of these models for designing and evaluating calibration studies have been discussed.

Multicomponent model of deformation and detachment of a biofilm under fluid flow

PubMed Central

Tierra, Giordano; Pavissich, Juan P.; Nerenberg, Robert; Xu, Zhiliang; Alber, Mark S.

2015-01-01

A novel biofilm model is described which systemically couples bacteria, extracellular polymeric substances (EPS) and solvent phases in biofilm. This enables the study of contributions of rheology of individual phases to deformation of biofilm in response to fluid flow as well as interactions between different phases. The model, which is based on first and second laws of thermodynamics, is derived using an energetic variational approach and phase-field method. Phase-field coupling is used to model structural changes of a biofilm. A newly developed unconditionally energy-stable numerical splitting scheme is implemented for computing the numerical solution of the model efficiently. Model simulations predict biofilm cohesive failure for the flow velocity between and m s−1 which is consistent with experiments. Simulations predict biofilm deformation resulting in the formation of streamers for EPS exhibiting a viscous-dominated mechanical response and the viscosity of EPS being less than . Higher EPS viscosity provides biofilm with greater resistance to deformation and to removal by the flow. Moreover, simulations show that higher EPS elasticity yields the formation of streamers with complex geometries that are more prone to detachment. These model predictions are shown to be in qualitative agreement with experimental observations. PMID:25808342

Renormalization group analysis of dipolar Heisenberg model on square lattice

NASA Astrophysics Data System (ADS)

Keleş, Ahmet; Zhao, Erhai

2018-06-01

We present a detailed functional renormalization group analysis of spin-1/2 dipolar Heisenberg model on square lattice. This model is similar to the well-known J1-J2 model and describes the pseudospin degrees of freedom of polar molecules confined in deep optical lattice with long-range anisotropic dipole-dipole interactions. Previous study of this model based on tensor network ansatz indicates a paramagnetic ground state for certain dipole tilting angles which can be tuned in experiments to control the exchange couplings. The tensor ansatz formulated on a small cluster unit cell is inadequate to describe the spiral order, and therefore the phase diagram at high azimuthal tilting angles remains undetermined. Here, we obtain the full phase diagram of the model from numerical pseudofermion functional renormalization group calculations. We show that an extended quantum paramagnetic phase is realized between the Néel and stripe/spiral phases. In this region, the spin susceptibility flows smoothly down to the lowest numerical renormalization group scales with no sign of divergence or breakdown of the flow, in sharp contrast to the flow towards the long-range-ordered phases. Our results provide further evidence that the dipolar Heisenberg model is a fertile ground for quantum spin liquids.

Freezing Transition Studies Through Constrained Cell Model Simulation

NASA Astrophysics Data System (ADS)

Nayhouse, Michael; Kwon, Joseph Sang-Il; Heng, Vincent R.; Amlani, Ankur M.; Orkoulas, G.

2014-10-01

In the present work, a simulation method based on cell models is used to deduce the fluid-solid transition of a system of particles that interact via a pair potential, , which is of the form with . The simulations are implemented under constant-pressure conditions on a generalized version of the constrained cell model. The constrained cell model is constructed by dividing the volume into Wigner-Seitz cells and confining each particle in a single cell. This model is a special case of a more general cell model which is formed by introducing an additional field variable that controls the number of particles per cell and, thus, the relative stability of the solid against the fluid phase. High field values force configurations with one particle per cell and thus favor the solid phase. Fluid-solid coexistence on the isotherm that corresponds to a reduced temperature of 2 is determined from constant-pressure simulations of the generalized cell model using tempering and histogram reweighting techniques. The entire fluid-solid phase boundary is determined through a thermodynamic integration technique based on histogram reweighting, using the previous coexistence point as a reference point. The vapor-liquid phase diagram is obtained from constant-pressure simulations of the unconstrained system using tempering and histogram reweighting. The phase diagram of the system is found to contain a stable critical point and a triple point. The phase diagram of the corresponding constrained cell model is also found to contain both a stable critical point and a triple point.

DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

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

X. Wang; X. Sun; H. Zhao

In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do notmore » exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in which flow regime transition occurs.« less

Application of the Double-Tangent Construction of Coexisting Phases to Any Type of Phase Equilibrium for Binary Systems Modeled with the Gamma-Phi Approach

ERIC Educational Resources Information Center

Jaubert, Jean-Noël; Privat, Romain

2014-01-01

The double-tangent construction of coexisting phases is an elegant approach to visualize all the multiphase binary systems that satisfy the equality of chemical potentials and to select the stable state. In this paper, we show how to perform the double-tangent construction of coexisting phases for binary systems modeled with the gamma-phi…

Two-phase adiabatic pressure drop experiments and modeling under micro-gravity conditions

NASA Astrophysics Data System (ADS)

Longeot, Matthieu J.; Best, Frederick R.

1995-01-01

Thermal systems for space applications based on two phase flow have several advantages over single phase systems. Two phase thermal energy management and dynamic power conversion systems have the capability of achieving high specific power levels. However, before two phase systems for space applications can be designed effectively, knowledge of the flow behavior in a ``0-g'' acceleration environment is necessary. To meet this need, two phase flow experiments were conducted by the Interphase Transport Phenomena Laboratory Group (ITP) aboard the National Aeronautics and Space Administration's (NASA) KC-135, using R12 as the working fluid. The present work is concerned with modeling of two-phase pressure drop under 0-g conditions, for bubbly and slug flow regimes. The set of data from the ITP group includes 3 bubbly points, 9 bubbly/slug points and 6 slug points. These two phase pressure drop data were collected in 1991 and 1992. A methodology to correct and validate the data was developed to achieve high levels of confidence. A homogeneous model was developed to predict the pressure drop for particular flow conditions. This model, which uses the Blasius Correlation, was found to be accurate for bubbly and bubbly/slug flows, with errors not larger than 28%. For slug flows, however, the errors are greater, attaining values up to 66%.

Modeling two-phase flow in PEM fuel cell channels

NASA Astrophysics Data System (ADS)

Wang, Yun; Basu, Suman; Wang, Chao-Yang

2008-05-01

This paper is concerned with the simultaneous flow of liquid water and gaseous reactants in mini-channels of a proton exchange membrane (PEM) fuel cell. Envisaging the mini-channels as structured and ordered porous media, we develop a continuum model of two-phase channel flow based on two-phase Darcy's law and the M2 formalism, which allow estimate of the parameters key to fuel cell operation such as overall pressure drop and liquid saturation profiles along the axial flow direction. Analytical solutions of liquid water saturation and species concentrations along the channel are derived to explore the dependences of these physical variables vital to cell performance on operating parameters such as flow stoichiometric ratio and relative humility. The two-phase channel model is further implemented for three-dimensional numerical simulations of two-phase, multi-component transport in a single fuel-cell channel. Three issues critical to optimizing channel design and mitigating channel flooding in PEM fuel cells are fully discussed: liquid water buildup towards the fuel cell outlet, saturation spike in the vicinity of flow cross-sectional heterogeneity, and two-phase pressure drop. Both the two-phase model and analytical solutions presented in this paper may be applicable to more general two-phase flow phenomena through mini- and micro-channels.

Molecular Simulation of the Free Energy for the Accurate Determination of Phase Transition Properties of Molecular Solids

NASA Astrophysics Data System (ADS)

Sellers, Michael; Lisal, Martin; Brennan, John

2015-06-01

Investigating the ability of a molecular model to accurately represent a real material is crucial to model development and use. When the model simulates materials in extreme conditions, one such property worth evaluating is the phase transition point. However, phase transitions are often overlooked or approximated because of difficulty or inaccuracy when simulating them. Techniques such as super-heating or super-squeezing a material to induce a phase change suffer from inherent timescale limitations leading to ``over-driving,'' and dual-phase simulations require many long-time runs to seek out what frequently results in an inexact location of phase-coexistence. We present a compilation of methods for the determination of solid-solid and solid-liquid phase transition points through the accurate calculation of the chemical potential. The methods are applied to the Smith-Bharadwaj atomistic potential's representation of cyclotrimethylene trinitramine (RDX) to accurately determine its melting point (Tm) and the alpha to gamma solid phase transition pressure. We also determine Tm for a coarse-grain model of RDX, and compare its value to experiment and atomistic counterpart. All methods are employed via the LAMMPS simulator, resulting in 60-70 simulations that total 30-50 ns. Approved for public release. Distribution is unlimited.

Silicon Nitride Equation of State

NASA Astrophysics Data System (ADS)

Swaminathan, Pazhayannur; Brown, Robert

2015-06-01

This report presents the development a global, multi-phase equation of state (EOS) for the ceramic silicon nitride (Si3N4) . Structural forms include amorphous silicon nitride normally used as a thin film and three crystalline polymorphs. Crystalline phases include hexagonal α-Si3N4, hexagonalβ-Si3N4, and the cubic spinel c-Si3N4. Decomposition at about 1900 °C results in a liquid silicon phase and gas phase products such as molecular nitrogen, atomic nitrogen, and atomic silicon. The silicon nitride EOS was developed using EOSPro which is a new and extended version of the PANDA II code. Both codes are valuable tools and have been used successfully for a variety of material classes. Both PANDA II and EOSPro can generate a tabular EOS that can be used in conjunction with hydrocodes. The paper describes the development efforts for the component solid phases and presents results obtained using the EOSPro phase transition model to investigate the solid-solid phase transitions in relation to the available shock data. Furthermore, the EOSPro mixture model is used to develop a model for the decomposition products and then combined with the single component solid models to study the global phase diagram. Sponsored by the NASA Goddard Space Flight Center Living With a Star program office.

Meso-Scale Modeling of Spall in a Heterogeneous Two-Phase Material

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

Springer, Harry Keo

2008-07-11

The influence of the heterogeneous second-phase particle structure and applied loading conditions on the ductile spall response of a model two-phase material was investigated. Quantitative metallography, three-dimensional (3D) meso-scale simulations (MSS), and small-scale spall experiments provided the foundation for this study. Nodular ductile iron (NDI) was selected as the model two-phase material for this study because it contains a large and readily identifiable second- phase particle population. Second-phase particles serve as the primary void nucleation sites in NDI and are, therefore, central to its ductile spall response. A mathematical model was developed for the NDI second-phase volume fraction that accountedmore » for the non-uniform particle size and spacing distributions within the framework of a length-scale dependent Gaussian probability distribution function (PDF). This model was based on novel multiscale sampling measurements. A methodology was also developed for the computer generation of representative particle structures based on their mathematical description, enabling 3D MSS. MSS were used to investigate the effects of second-phase particle volume fraction and particle size, loading conditions, and physical domain size of simulation on the ductile spall response of a model two-phase material. MSS results reinforce existing model predictions, where the spall strength metric (SSM) logarithmically decreases with increasing particle volume fraction. While SSM predictions are nearly independent of applied load conditions at lower loading rates, which is consistent with previous studies, loading dependencies are observed at higher loading rates. There is also a logarithmic decrease in SSM for increasing (initial) void size, as well. A model was developed to account for the effects of loading rate, particle size, matrix sound-speed, and, in the NDI-specific case, the probabilistic particle volume fraction model. Small-scale spall experiments were designed and executed for the purpose of validating closely-coupled 3D MSS. While the spall strength is nearly independent of specimen thickness, the fragment morphology varies widely. Detailed MSS demonstrate that the interactions between the tensile release waves are altered by specimen thickness and that these interactions are primarily responsible for fragment formation. MSS also provided insights on the regional amplification of damage, which enables the development of predictive void evolution models.« less

Phase diagram of the isotropic spin-(3)/(2) model on the z=3 Bethe lattice

NASA Astrophysics Data System (ADS)

Depenbrock, Stefan; Pollmann, Frank

2013-07-01

We study an SU(2) symmetric spin-3/2 model on the z=3 Bethe lattice using the infinite time evolving block decimation (iTEBD) method. This model is shown to exhibit a rich phase diagram. We compute several order parameters which allow us to identify a ferromagnetic, a ferrimagnetic, an antiferromagnetic, as well as a dimerized phase. We calculate the entanglement spectra from which we conclude the existence of a symmetry protected topological phase that is characterized by S=1/2 edge spins. Details of the iTEBD algorithm used for the simulations are included.

Study of Nonclassical Fields in Phase-Sensitive Reservoirs

NASA Technical Reports Server (NTRS)

Kim, Myung Shik; Imoto, Nobuyuki

1996-01-01

We show that the reservoir influence can be modeled by an infinite array of beam splitters. The superposition of the input fields in the beam splitter is discussed with the convolution laws for their quasiprobabilities. We derive the Fokker-Planck equation for the cavity field coupled with a phase-sensitive reservoir using the convolution law. We also analyze the amplification in the phase-sensitive reservoir with use of the modified beam splitter model. We show the similarities and differences between the dissipation and amplification models. We show that a super-Poissonian input field cannot become sub-Poissonian by the phase-sensitive amplification.

Phase transitions in the antiferromagnetic Ising model on a body-centered cubic lattice with interactions between next-to-nearest neighbors

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

Murtazaev, A. K.; Ramazanov, M. K., E-mail: sheikh77@mail.ru; Kassan-Ogly, F. A.

2015-01-15

Phase transitions in the antiferromagnetic Ising model on a body-centered cubic lattice are studied on the basis of the replica algorithm by the Monte Carlo method and histogram analysis taking into account the interaction of next-to-nearest neighbors. The phase diagram of the dependence of the critical temperature on the intensity of interaction of the next-to-nearest neighbors is constructed. It is found that a second-order phase transition is realized in this model in the investigated interval of the intensities of interaction of next-to-nearest neighbors.

Nonequilibrium phase transitions in isotropic Ashkin-Teller model

NASA Astrophysics Data System (ADS)

Akıncı, Ümit

2017-03-01

Dynamic behavior of an isotropic Ashkin-Teller model in the presence of a periodically oscillating magnetic field has been analyzed by means of the mean field approximation. The dynamic equation of motion has been constructed with the help of a Glauber type stochastic process and solved for a square lattice. After defining the possible dynamical phases of the system, phase diagrams have been given and the behavior of the hysteresis loops has been investigated in detail. The hysteresis loop for specific order parameter of isotropic Ashkin-Teller model has been defined and characteristics of this loop in different dynamical phases have been given.

Mixed Phase Modeling in GlennICE with Application to Engine Icing

NASA Technical Reports Server (NTRS)

Wright, William B.; Jorgenson, Philip C. E.; Veres, Joseph P.

2011-01-01

A capability for modeling ice crystals and mixed phase icing has been added to GlennICE. Modifications have been made to the particle trajectory algorithm and energy balance to model this behavior. This capability has been added as part of a larger effort to model ice crystal ingestion in aircraft engines. Comparisons have been made to four mixed phase ice accretions performed in the Cox icing tunnel in order to calibrate an ice erosion model. A sample ice ingestion case was performed using the Energy Efficient Engine (E3) model in order to illustrate current capabilities. Engine performance characteristics were supplied using the Numerical Propulsion System Simulation (NPSS) model for this test case.

Degenerate and chiral states in the extended Heisenberg model on the kagome lattice

NASA Astrophysics Data System (ADS)

Gómez Albarracín, F. A.; Pujol, P.

2018-03-01

We present a study of the low-temperature phases of the antiferromagnetic extended classical Heisenberg model on the kagome lattice, up to third-nearest neighbors. First, we focus on the degenerate lines in the boundaries of the well-known staggered chiral phases. These boundaries have either semiextensive or extensive degeneracy, and we discuss the partial selection of states by thermal fluctuations. Then, we study the model under an external magnetic field on these lines and in the staggered chiral phases. We pay particular attention to the highly frustrated point, where the three exchange couplings are equal. We show that this point can be mapped to a model with spin-liquid behavior and nonzero chirality. Finally, we explore the effect of Dzyaloshinskii-Moriya (DM) interactions in two ways: a homogeneous and a staggered DM interaction. In both cases, there is a rich low-temperature phase diagram, with different spontaneously broken symmetries and nontrivial chiral phases.

A Chain of Modeling Tools For Gas and Aqueous Phase Chemstry

NASA Astrophysics Data System (ADS)

Audiffren, N.; Djouad, R.; Sportisse, B.

Atmospheric chemistry is characterized by the use of large set of chemical species and reactions. Handling with the set of data required for the definition of the model is a quite difficult task. We prsent in this short article a preprocessor for diphasic models (gas phase and aqueous phase in cloud droplets) named SPACK. The main interest of SPACK is the automatic generation of lumped species related to fast equilibria. We also developped a linear tangent model using the automatic differentiation tool named ODYSSEE in order to perform a sensitivity analysis of an atmospheric multi- phase mechanism based on RADM2 kinetic scheme.Local sensitivity coefficients are computed for two different scenarii. We focus in this study on the sensitivity of the ozone,NOx,HOx, system with respect to some aqueous phase reactions and we inves- tigate the influence of the reduction in the photolysis rates in the area below the cloud region.

Bifurcation analysis and phase diagram of a spin-string model with buckled states.

PubMed

Ruiz-Garcia, M; Bonilla, L L; Prados, A

2017-12-01

We analyze a one-dimensional spin-string model, in which string oscillators are linearly coupled to their two nearest neighbors and to Ising spins representing internal degrees of freedom. String-spin coupling induces a long-range ferromagnetic interaction among spins that competes with a spin-spin antiferromagnetic coupling. As a consequence, the complex phase diagram of the system exhibits different flat rippled and buckled states, with first or second order transition lines between states. This complexity translates to the two-dimensional version of the model, whose numerical solution has been recently used to explain qualitatively the rippled to buckled transition observed in scanning tunneling microscopy experiments with suspended graphene sheets. Here we describe in detail the phase diagram of the simpler one-dimensional model and phase stability using bifurcation theory. This gives additional insight into the physical mechanisms underlying the different phases and the behavior observed in experiments.

Bifurcation study of phase oscillator systems with attractive and repulsive interaction.

PubMed

Burylko, Oleksandr; Kazanovich, Yakov; Borisyuk, Roman

2014-08-01

We study a model of globally coupled phase oscillators that contains two groups of oscillators with positive (synchronizing) and negative (desynchronizing) incoming connections for the first and second groups, respectively. This model was previously studied by Hong and Strogatz (the Hong-Strogatz model) in the case of a large number of oscillators. We consider a generalized Hong-Strogatz model with a constant phase shift in coupling. Our approach is based on the study of invariant manifolds and bifurcation analysis of the system. In the case of zero phase shift, various invariant manifolds are analytically described and a new dynamical mode is found. In the case of a nonzero phase shift we obtained a set of bifurcation diagrams for various systems with three or four oscillators. It is shown that in these cases system dynamics can be complex enough and include multistability and chaotic oscillations.

Bifurcation study of phase oscillator systems with attractive and repulsive interaction

NASA Astrophysics Data System (ADS)

Burylko, Oleksandr; Kazanovich, Yakov; Borisyuk, Roman

2014-08-01

We study a model of globally coupled phase oscillators that contains two groups of oscillators with positive (synchronizing) and negative (desynchronizing) incoming connections for the first and second groups, respectively. This model was previously studied by Hong and Strogatz (the Hong-Strogatz model) in the case of a large number of oscillators. We consider a generalized Hong-Strogatz model with a constant phase shift in coupling. Our approach is based on the study of invariant manifolds and bifurcation analysis of the system. In the case of zero phase shift, various invariant manifolds are analytically described and a new dynamical mode is found. In the case of a nonzero phase shift we obtained a set of bifurcation diagrams for various systems with three or four oscillators. It is shown that in these cases system dynamics can be complex enough and include multistability and chaotic oscillations.

Bayesian hierarchical models for smoothing in two-phase studies, with application to small area estimation.

PubMed

Ross, Michelle; Wakefield, Jon

2015-10-01

Two-phase study designs are appealing since they allow for the oversampling of rare sub-populations which improves efficiency. In this paper we describe a Bayesian hierarchical model for the analysis of two-phase data. Such a model is particularly appealing in a spatial setting in which random effects are introduced to model between-area variability. In such a situation, one may be interested in estimating regression coefficients or, in the context of small area estimation, in reconstructing the population totals by strata. The efficiency gains of the two-phase sampling scheme are compared to standard approaches using 2011 birth data from the research triangle area of North Carolina. We show that the proposed method can overcome small sample difficulties and improve on existing techniques. We conclude that the two-phase design is an attractive approach for small area estimation.

Evaluation of flow hydrodynamics in a pilot-scale dissolved air flotation tank: a comparison between CFD and experimental measurements.

PubMed

Lakghomi, B; Lawryshyn, Y; Hofmann, R

2015-01-01

Computational fluid dynamics (CFD) models of dissolved air flotation (DAF) have shown formation of stratified flow (back and forth horizontal flow layers at the top of the separation zone) and its impact on improved DAF efficiency. However, there has been a lack of experimental validation of CFD predictions, especially in the presence of solid particles. In this work, for the first time, both two-phase (air-water) and three-phase (air-water-solid particles) CFD models were evaluated at pilot scale using measurements of residence time distribution, bubble layer position and bubble-particle contact efficiency. The pilot-scale results confirmed the accuracy of the CFD model for both two-phase and three-phase flows, but showed that the accuracy of the three-phase CFD model would partly depend on the estimation of bubble-particle attachment efficiency.

[Application analysis of Nursing Care Systematization according to Horta's Conceptual Model].

PubMed

da Cunha, Sandra Maria Botelho; Barros, Alba Lúcia Botura Leite

2005-01-01

This study has as purpose to analyse the implementation of the Nursing Care Systematization in a private hospital in medical surgical units. Results evidenced that the Horta's Conceptual Model was present only in part of nursing hystory instrument, that the remaining phases of nursing process were not inter-related and that there was a lack of coherence of the prescribed actions in relation to the patient's health condition. From the results of the study it can be concluded that the model used for Nursing Care Systematization is eclectic, not obeying therefore, only to Horta's conceptual model; the totality of the data had not been collected in some phases of the nursing process; there is no correlation of the phases in the majority of analyzed patient records; diagnostic and planning phases do not comprise the phases of the nursing process as proposed by Horta.

From bedside to classroom: the nurse educator transition model.

PubMed

Schoening, Anne M

2013-01-01

The purpose of this qualitative study was to generate a theoretical model that describes the social process that occurs during the role transition from nurse to nurse educator. Recruitment and retention of qualified nurse educators is essential in order to remedy the current staff nurse and faculty shortage in the United States, yet nursing schools face many challenges in this area. This grounded theory study utilized purposive, theoretical sampling to identify 20 nurse educators teaching in baccalaureate nursing programs in the Midwest. The Nurse Educator Transition (NET) model was created from these data.This model identifies four phases in the role transition from nurse to nurse educator: a) the Anticipatory/Expectation Phase, b) the Disorientation Phase, c) the Information-Seeking Phase, and d) the Identity Formation Phase. Recommendations include integrating formal pedagogical education into nursing graduate programs and creating evidence-based orientation and mentoring programs for novice nurse faculty.

A Temperature-Dependent Phase-Field Model for Phase Separation and Damage

NASA Astrophysics Data System (ADS)

Heinemann, Christian; Kraus, Christiane; Rocca, Elisabetta; Rossi, Riccarda

2017-07-01

In this paper we study a model for phase separation and damage in thermoviscoelastic materials. The main novelty of the paper consists in the fact that, in contrast with previous works in the literature concerning phase separation and damage processes in elastic media, in our model we encompass thermal processes, nonlinearly coupled with the damage, concentration and displacement evolutions. More particularly, we prove the existence of "entropic weak solutions", resorting to a solvability concept first introduced in Feireisl (Comput Math Appl 53:461-490, 2007) in the framework of Fourier-Navier-Stokes systems and then recently employed in Feireisl et al. (Math Methods Appl Sci 32:1345-1369, 2009) and Rocca and Rossi (Math Models Methods Appl Sci 24:1265-1341, 2014) for the study of PDE systems for phase transition and damage. Our global-in-time existence result is obtained by passing to the limit in a carefully devised time-discretization scheme.

Sentinel-1 Precise Orbit Calibration and Validation

NASA Astrophysics Data System (ADS)

Monti Guarnieri, Andrea; Mancon, Simone; Tebaldini, Stefano

2015-05-01

In this paper, we propose a model-based procedure to calibrate and validate Sentinel-1 orbit products by the Multi-Squint (MS) phase. The technique allows to calibrate an interferometric pair geometry by refining the slave orbit with reference to the orbit of a master image. Accordingly, we state the geometric model of the InSAR phase as function of positioning errors of targets and slave track; and the MS phase model as derivative of the InSAR phase geometric model with respect to the squint angle. In this paper we focus on the TOPSAR acquisition modes of Sentinel-1 (IW and EW) assuming at the most a linear error in the known slave trajectory. In particular, we describe a dedicated methodology to prevent InSAR phase artifacts on data acquired by the TOPSAR acquisition mode. Experimental results obtained by interferometric pairs acquired by Sentinel-1 sensor will be displayed.

The random field Blume-Capel model revisited

NASA Astrophysics Data System (ADS)

Santos, P. V.; da Costa, F. A.; de Araújo, J. M.

2018-04-01

We have revisited the mean-field treatment for the Blume-Capel model under the presence of a discrete random magnetic field as introduced by Kaufman and Kanner (1990). The magnetic field (H) versus temperature (T) phase diagrams for given values of the crystal field D were recovered in accordance to Kaufman and Kanner original work. However, our main goal in the present work was to investigate the distinct structures of the crystal field versus temperature phase diagrams as the random magnetic field is varied because similar models have presented reentrant phenomenon due to randomness. Following previous works we have classified the distinct phase diagrams according to five different topologies. The topological structure of the phase diagrams is maintained for both H - T and D - T cases. Although the phase diagrams exhibit a richness of multicritical phenomena we did not found any reentrant effect as have been seen in similar models.

Bifurcation analysis and phase diagram of a spin-string model with buckled states

NASA Astrophysics Data System (ADS)

Ruiz-Garcia, M.; Bonilla, L. L.; Prados, A.

2017-12-01

We analyze a one-dimensional spin-string model, in which string oscillators are linearly coupled to their two nearest neighbors and to Ising spins representing internal degrees of freedom. String-spin coupling induces a long-range ferromagnetic interaction among spins that competes with a spin-spin antiferromagnetic coupling. As a consequence, the complex phase diagram of the system exhibits different flat rippled and buckled states, with first or second order transition lines between states. This complexity translates to the two-dimensional version of the model, whose numerical solution has been recently used to explain qualitatively the rippled to buckled transition observed in scanning tunneling microscopy experiments with suspended graphene sheets. Here we describe in detail the phase diagram of the simpler one-dimensional model and phase stability using bifurcation theory. This gives additional insight into the physical mechanisms underlying the different phases and the behavior observed in experiments.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

NASA Astrophysics Data System (ADS)

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; Tsvelik, A. M.

2017-12-01

We present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, the Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.

Mechanical model for filament buckling and growth by phase ordering.

PubMed

Rey, Alejandro D; Abukhdeir, Nasser M

2008-02-05

A mechanical model of open filament shape and growth driven by phase ordering is formulated. For a given phase-ordering driving force, the model output is the filament shape evolution and the filament end-point kinematics. The linearized model for the slope of the filament is the Cahn-Hilliard model of spinodal decomposition, where the buckling corresponds to concentration fluctuations. Two modes are predicted: (i) sequential growth and buckling and (ii) simultaneous buckling and growth. The relation among the maximum buckling rate, filament tension, and matrix viscosity is given. These results contribute to ongoing work in smectic A filament buckling.

Classification and unification of the microscopic deterministic traffic models.

PubMed

Yang, Bo; Monterola, Christopher

2015-10-01

We identify a universal mathematical structure in microscopic deterministic traffic models (with identical drivers), and thus we show that all such existing models in the literature, including both the two-phase and three-phase models, can be understood as special cases of a master model by expansion around a set of well-defined ground states. This allows any two traffic models to be properly compared and identified. The three-phase models are characterized by the vanishing of leading orders of expansion within a certain density range, and as an example the popular intelligent driver model is shown to be equivalent to a generalized optimal velocity (OV) model. We also explore the diverse solutions of the generalized OV model that can be important both for understanding human driving behaviors and algorithms for autonomous driverless vehicles.

Three-dimensional three-phase model for simulation of hydrodynamics, oxygen mass transfer, carbon oxidation, nitrification and denitrification in an oxidation ditch.

PubMed

Lei, Li; Ni, Jinren

2014-04-15

A three-dimensional three-phase fluid model, supplemented by laboratory data, was developed to simulate the hydrodynamics, oxygen mass transfer, carbon oxidation, nitrification and denitrification processes in an oxidation ditch. The model provided detailed phase information on the liquid flow field, gas hold-up distribution and sludge sedimentation. The three-phase model described water-gas, water-sludge and gas-sludge interactions. Activated sludge was taken to be in a pseudo-solid phase, comprising an initially separated solid phase that was transported and later underwent biological reactions with the surrounding liquidmedia. Floc parameters were modified to improve the sludge viscosity, sludge density, oxygen mass transfer rate, and carbon substrate uptake due to adsorption onto the activated sludge. The validation test results were in very satisfactory agreement with laboratory data on the behavior of activated sludge in an oxidation ditch. By coupling species transport and biological process models, reasonable predictions are made of: (1) the biochemical kinetics of dissolved oxygen, chemical oxygen demand (COD) and nitrogen variation, and (2) the physical kinematics of sludge sedimentation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Interpretation of third phase formation in the Th(IV)-HNO{sub3}, TBP-n-octane system with baxter's sticky spheres model.

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

Chiarizia, R.; Jensen, M. P.; Borkowski, M.

2004-01-01

Small-angle neutron scattering (SANS) data for the tri-n-butylphosphate (TBP)-n-octane, HNO{sub 3}-Th(NO{sub 3}){sub 4} solvent extraction system, obtained under a variety of experimental conditions, have been interpreted using two different models. The particle growth model led to unrealistic results. The Baxter model for hard-spheres with surface adhesion, on the other hand, was more successful. According to this model, the increase in scattering intensity in the low Q range observed when increasing amounts of Th(NO{sub 3}){sub 4} are extracted into the organic phase, has been interpreted as arising from interactions between small reverse micelles containing three TBP molecules. Upon extraction of Th(NO{submore » 3}){sub 4}, the micelles interact through attractive forces between their polar cores with a potential energy of up to about 2 k{sub B}T. The intermicellar attraction, under suitable conditions, leads to third phase formation. Upon phase splitting, most of the solutes of the original organic phase separate in a continuous phase containing interspersed layers of n-octane.« less

Undergraduate medical education programme renewal: a longitudinal context, input, process and product evaluation study.

PubMed

Mirzazadeh, Azim; Gandomkar, Roghayeh; Hejri, Sara Mortaz; Hassanzadeh, Gholamreza; Koochak, Hamid Emadi; Golestani, Abolfazl; Jafarian, Ali; Jalili, Mohammad; Nayeri, Fatemeh; Saleh, Narges; Shahi, Farhad; Razavi, Seyed Hasan Emami

2016-02-01

The purpose of this study was to utilize the Context, Input, Process and Product (CIPP) evaluation model as a comprehensive framework to guide initiating, planning, implementing and evaluating a revised undergraduate medical education programme. The eight-year longitudinal evaluation study consisted of four phases compatible with the four components of the CIPP model. In the first phase, we explored the strengths and weaknesses of the traditional programme as well as contextual needs, assets, and resources. For the second phase, we proposed a model for the programme considering contextual features. During the process phase, we provided formative information for revisions and adjustments. Finally, in the fourth phase, we evaluated the outcomes of the new undergraduate medical education programme in the basic sciences phase. Information was collected from different sources such as medical students, faculty members, administrators, and graduates, using various qualitative and quantitative methods including focus groups, questionnaires, and performance measures. The CIPP model has the potential to guide policy makers to systematically collect evaluation data and to manage stakeholders' reactions at each stage of the reform in order to make informed decisions. However, the model may result in evaluation burden and fail to address some unplanned evaluation questions.

Thin Interface Asymptotics for an Energy/Entropy Approach to Phase-Field Models with Unequal Conductivities

NASA Technical Reports Server (NTRS)

McFadden, G. B.; Wheeler, A. A.; Anderson, D. M.

1999-01-01

Karma and Rapped recently developed a new sharp interface asymptotic analysis of the phase-field equations that is especially appropriate for modeling dendritic growth at low undercoolings. Their approach relieves a stringent restriction on the interface thickness that applies in the conventional asymptotic analysis, and has the added advantage that interfacial kinetic effects can also be eliminated. However, their analysis focussed on the case of equal thermal conductivities in the solid and liquid phases; when applied to a standard phase-field model with unequal conductivities, anomalous terms arise in the limiting forms of the boundary conditions for the interfacial temperature that are not present in conventional sharp-interface solidification models, as discussed further by Almgren. In this paper we apply their asymptotic methodology to a generalized phase-field model which is derived using a thermodynamically consistent approach that is based on independent entropy and internal energy gradient functionals that include double wells in both the entropy and internal energy densities. The additional degrees of freedom associated with the generalized phased-field equations can be chosen to eliminate the anomalous terms that arise for unequal conductivities.

Using site-selection model to identify suitable sites for seagrass transplantation in the west coast of South Sulawesi

NASA Astrophysics Data System (ADS)

Lanuru, Mahatma; Mashoreng, S.; Amri, K.

2018-03-01

The success of seagrass transplantation is very much depending on the site selection and suitable transplantation methods. The main objective of this study is to develop and use a site-selection model to identify the suitability of sites for seagrass (Enhalus acoroides) transplantation. Model development was based on the physical and biological characteristics of the transplantation site. The site-selection process is divided into 3 phases: Phase I identifies potential seagrass habitat using available knowledge, removes unnecessary sites before the transplantation test is performed. Phase II involves field assessment and transplantation test of the best scoring areas identified in Phase I. Phase III is the final calculation of the TSI (Transplant Suitability Index), based on results from Phases I and II. The model was used to identify the suitability of sites for seagrass transplantation in the West coast of South Sulawesi (3 sites at Labakkang Coast, 3 sites at Awerange Bay, and 3 sites at Lale-Lae Island). Of the 9 sites, two sites were predicted by the site-selection model to be the most suitable sites for seagrass transplantation: Site II at Labakkang Coast and Site III at Lale-Lae Island.

Multi-decadal evolution characteristics of global surface temperature anomaly data shown by observation and CMIP5 models

NASA Astrophysics Data System (ADS)

Zhu, X.

2017-12-01

Based on methods of statistical analysis, the time series of global surface air temperature(SAT) anomalies from 1860-2014 has been defined by three types of phase changes that occur through the division of temperature changes into different stages. The characteristics of the three types of phase changes simulated by CMIP5 models were evaluated. The conclusion is as follows: the SAT from 1860-2014 can be divided into six stages according to trend differences, and this subdivision is proved to be statistically significant. Based on trend analysis and the distribution of slopes between any two points (two points' slope) in every stage, the six stages can be summarized as three phase changes of warming, cooling, and hiatus. Between 1860 and 2014, the world experienced three heating phases (1860-1878, 1909-1942,1975-2004), one cooling phase (1878-1909), and two hiatus phases (1942-1975, 2004-2014).Using the definition method, whether the next year belongs to the previous phase can be estimated. Furthermore, the temperature in 2015 was used as an example to validate the feasibility of this method. The simulations of the heating period by CMIP5 models are well; however the characteristics shown by SAT during the cooling and hiatus period cannot be represented by CMIP5 models. As such, the projections of future heating phases using the CMIP5 models are credible, but for cooling and hiatus events they are unreliable.

Evaluation of the Majorana phases of a general Majorana neutrino mass matrix: Testability of hierarchical flavour models

NASA Astrophysics Data System (ADS)

Samanta, Rome; Chakraborty, Mainak; Ghosal, Ambar

2016-03-01

We evaluate the Majorana phases for a general 3 × 3 complex symmetric neutrino mass matrix on the basis of Mohapatra-Rodejohann's phase convention using the three rephasing invariant quantities I12, I13 and I23 proposed by Sarkar and Singh. We find them interesting as they allow us to evaluate each Majorana phase in a model independent way even if one eigenvalue is zero. Utilizing the solution of a general complex symmetric mass matrix for eigenvalues and mixing angles we determine the Majorana phases for both the hierarchies, normal and inverted, taking into account the constraints from neutrino oscillation global fit data as well as bound on the sum of the three light neutrino masses (Σimi) and the neutrinoless double beta decay (ββ0ν) parameter |m11 |. This methodology of finding the Majorana phases is applied thereafter in some predictive models for both the hierarchical cases (normal and inverted) to evaluate the corresponding Majorana phases and it is shown that all the sub cases presented in inverted hierarchy section can be realized in a model with texture zeros and scaling ansatz within the framework of inverse seesaw although one of the sub cases following the normal hierarchy is yet to be established. Except the case of quasi degenerate neutrinos, the methodology obtained in this work is able to evaluate the corresponding Majorana phases, given any model of neutrino masses.

Grid cell mechanisms and function: Contributions of entorhinal persistent spiking and phase resetting

PubMed Central

Hasselmo, Michael E.

2008-01-01

This article presents a model of grid cell firing based on the intrinsic persistent firing shown experimentally in neurons of entorhinal cortex. In this model, the mechanism of persistent firing allows individual neurons to hold a stable baseline firing frequency. Depolarizing input from speed modulated head direction cells transiently shifts the frequency of firing from baseline, resulting in a shift in spiking phase in proportion to the integral of velocity. The convergence of input from different persistent firing neurons causes spiking in a grid cell only when the persistent firing neurons are within similar phase ranges. This model effectively simulates the two-dimensional firing of grid cells in open field environments, as well as the properties of theta phase precession. This model provides an alternate implementation of oscillatory interference models. The persistent firing could also interact on a circuit level with rhythmic inhibition and neurons showing membrane potential oscillations to code position with spiking phase. These mechanisms could operate in parallel with computation of position from visual angle and distance of stimuli. In addition to simulating two-dimensional grid patterns, models of phase interference can account for context-dependent firing in other tasks. In network simulations of entorhinal cortex, hippocampus and postsubiculum, the reset of phase effectively replicates context-dependent firing by entorhinal and hippocampal neurons during performance of a continuous spatial alternation task, a delayed spatial alternation task with running in a wheel during the delay period, and a hairpin maze task. PMID:19021258

Benchmark problems for numerical implementations of phase field models

DOE PAGES

Jokisaari, A. M.; Voorhees, P. W.; Guyer, J. E.; ...

2016-10-01

Here, we present the first set of benchmark problems for phase field models that are being developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST). While many scientific research areas use a limited set of well-established software, the growing phase field community continues to develop a wide variety of codes and lacks benchmark problems to consistently evaluate the numerical performance of new implementations. Phase field modeling has become significantly more popular as computational power has increased and is now becoming mainstream, driving the need for benchmark problems to validate and verifymore » new implementations. We follow the example set by the micromagnetics community to develop an evolving set of benchmark problems that test the usability, computational resources, numerical capabilities and physical scope of phase field simulation codes. In this paper, we propose two benchmark problems that cover the physics of solute diffusion and growth and coarsening of a second phase via a simple spinodal decomposition model and a more complex Ostwald ripening model. We demonstrate the utility of benchmark problems by comparing the results of simulations performed with two different adaptive time stepping techniques, and we discuss the needs of future benchmark problems. The development of benchmark problems will enable the results of quantitative phase field models to be confidently incorporated into integrated computational materials science and engineering (ICME), an important goal of the Materials Genome Initiative.« less

A fragmentation and reassembly method for ab initio phasing.

PubMed

Shrestha, Rojan; Zhang, Kam Y J

2015-02-01

Ab initio phasing with de novo models has become a viable approach for structural solution from protein crystallographic diffraction data. This approach takes advantage of the known protein sequence information, predicts de novo models and uses them for structure determination by molecular replacement. However, even the current state-of-the-art de novo modelling method has a limit as to the accuracy of the model predicted, which is sometimes insufficient to be used as a template for successful molecular replacement. A fragment-assembly phasing method has been developed that starts from an ensemble of low-accuracy de novo models, disassembles them into fragments, places them independently in the crystallographic unit cell by molecular replacement and then reassembles them into a whole structure that can provide sufficient phase information to enable complete structure determination by automated model building. Tests on ten protein targets showed that the method could solve structures for eight of these targets, although the predicted de novo models cannot be used as templates for successful molecular replacement since the best model for each target is on average more than 4.0 Å away from the native structure. The method has extended the applicability of the ab initio phasing by de novo models approach. The method can be used to solve structures when the best de novo models are still of low accuracy.

Turbulent Combustion in SDF Explosions

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

Kuhl, A L; Bell, J B; Beckner, V E

2009-11-12

A heterogeneous continuum model is proposed to describe the dispersion and combustion of an aluminum particle cloud in an explosion. It combines the gas-dynamic conservation laws for the gas phase with a continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models. It incorporates a combustion model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes intomore » account both the afterburning of the detonation products of the C-4 booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Numerical simulations of the explosion fields from 1.5-g Shock-Dispersed-Fuel (SDF) charge in a 6.6 liter calorimeter were used to validate the combustion model. Then the model was applied to 10-kg Al-SDF explosions in a an unconfined height-of-burst explosion. Computed pressure histories are compared with measured waveforms. Differences are caused by physical-chemical kinetic effects of particle combustion which induce ignition delays in the initial reactive blast wave and quenching of reactions at late times. Current simulations give initial insights into such modeling issues.« less

Defect-phase-dynamics approach to statistical domain-growth problem of clock models

NASA Technical Reports Server (NTRS)

Kawasaki, K.

1985-01-01

The growth of statistical domains in quenched Ising-like p-state clock models with p = 3 or more is investigated theoretically, reformulating the analysis of Ohta et al. (1982) in terms of a phase variable and studying the dynamics of defects introduced into the phase field when the phase variable becomes multivalued. The resulting defect/phase domain-growth equation is applied to the interpretation of Monte Carlo simulations in two dimensions (Kaski and Gunton, 1983; Grest and Srolovitz, 1984), and problems encountered in the analysis of related Potts models are discussed. In the two-dimensional case, the problem is essentially that of a purely dissipative Coulomb gas, with a sq rt t growth law complicated by vertex-pinning effects at small t.

Feasibility of MHD submarine propulsion. Phase II, MHD propulsion: Testing in a two Tesla test facility

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

Doss, E.D.; Sikes, W.C.

1992-09-01

This report describes the work performed during Phase 1 and Phase 2 of the collaborative research program established between Argonne National Laboratory (ANL) and Newport News Shipbuilding and Dry Dock Company (NNS). Phase I of the program focused on the development of computer models for Magnetohydrodynamic (MHD) propulsion. Phase 2 focused on the experimental validation of the thruster performance models and the identification, through testing, of any phenomena which may impact the attractiveness of this propulsion system for shipboard applications. The report discusses in detail the work performed in Phase 2 of the program. In Phase 2, a two Teslamore » test facility was designed, built, and operated. The facility test loop, its components, and their design are presented. The test matrix and its rationale are discussed. Representative experimental results of the test program are presented, and are compared to computer model predictions. In general, the results of the tests and their comparison with the predictions indicate that thephenomena affecting the performance of MHD seawater thrusters are well understood and can be accurately predicted with the developed thruster computer models.« less

Cutting Modeling of Hybrid CFRP/Ti Composite with Induced Damage Analysis

PubMed Central

Xu, Jinyang; El Mansori, Mohamed

2016-01-01

In hybrid carbon fiber reinforced polymer (CFRP)/Ti machining, the bi-material interface is the weakest region vulnerable to severe damage formation when the tool cutting from one phase to another phase and vice versa. The interface delamination as well as the composite-phase damage is the most serious failure dominating the bi-material machining. In this paper, an original finite element (FE) model was developed to inspect the key mechanisms governing the induced damage formation when cutting this multi-phase material. The hybrid composite model was constructed by establishing three disparate physical constituents, i.e., the Ti phase, the interface, and the CFRP phase. Different constitutive laws and damage criteria were implemented to build up the entire cutting behavior of the bi-material system. The developed orthogonal cutting (OC) model aims to characterize the dynamic mechanisms of interface delamination formation and the affected interface zone (AIZ). Special focus was made on the quantitative analyses of the parametric effects on the interface delamination and composite-phase damage. The numerical results highlighted the pivotal role of AIZ in affecting the formation of interface delamination, and the significant impacts of feed rate and cutting speed on delamination extent and fiber/matrix failure. PMID:28787824

Generation of net sediment transport by velocity skewness in oscillatory sheet flow

NASA Astrophysics Data System (ADS)

Chen, Xin; Li, Yong; Chen, Genfa; Wang, Fujun; Tang, Xuelin

2018-01-01

This study utilizes a qualitative approach and a two-phase numerical model to investigate net sediment transport caused by velocity skewness beneath oscillatory sheet flow and current. The qualitative approach is derived based on the pseudo-laminar approximation of boundary layer velocity and exponential approximation of concentration. The two-phase model can obtain well the instantaneous erosion depth, sediment flux, boundary layer thickness, and sediment transport rate. It can especially illustrate the difference between positive and negative flow stages caused by velocity skewness, which is considerably important in determining the net boundary layer flow and sediment transport direction. The two-phase model also explains the effect of sediment diameter and phase-lag to sediment transport by comparing the instantaneous-type formulas to better illustrate velocity skewness effect. In previous studies about sheet flow transport in pure velocity-skewed flows, net sediment transport is only attributed to the phase-lag effect. In the present study with the qualitative approach and two-phase model, phase-lag effect is shown important but not sufficient for the net sediment transport beneath pure velocity-skewed flow and current, while the asymmetric wave boundary layer development between positive and negative flow stages also contributes to the sediment transport.

Effects of liquid layers and distribution patterns on three-phase saturation and relative permeability relationships: a micromodel study.

PubMed

Tsai, Jui-Pin; Chang, Liang-Cheng; Hsu, Shao-Yiu; Shan, Hsin-Yu

2017-12-01

In the current study, we used micromodel experiments to study three-phase fluid flow in porous media. In contrast to previous studies, we simultaneously observed and measured pore-scale fluid behavior and three-phase constitutive relationships with digital image acquisition/analysis, fluid pressure control, and permeability assays. Our results showed that the fluid layers significantly influenced pore-scale, three-phase fluid displacement as well as water relative permeability. At low water saturation, water relative permeability not only depended on water saturation but also on the distributions of air and diesel. The results also indicate that the relative permeability-saturation model proposed by Parker et al. (1987) could not completely describe the experimental data from our three-phase flow experiments because these models ignore the effects of phase distribution. A simple bundle-of-tubes model shows that the water relative permeability was proportional to the number of apparently continuous water paths before the critical stage in which no apparently continuous water flow path could be found. Our findings constitute additional information about the essential constitutive relationships involved in both the understanding and the modeling of three-phase flows in porous media.

Agent-based spin model for financial markets on complex networks: Emergence of two-phase phenomena

NASA Astrophysics Data System (ADS)

Kim, Yup; Kim, Hong-Joo; Yook, Soon-Hyung

2008-09-01

We study a microscopic model for financial markets on complex networks, motivated by the dynamics of agents and their structure of interaction. The model consists of interacting agents (spins) with local ferromagnetic coupling and global antiferromagnetic coupling. In order to incorporate more realistic situations, we also introduce an external field which changes in time. From numerical simulations, we find that the model shows two-phase phenomena. When the local ferromagnetic interaction is balanced with the global antiferromagnetic interaction, the resulting return distribution satisfies a power law having a single peak at zero values of return, which corresponds to the market equilibrium phase. On the other hand, if local ferromagnetic interaction is dominant, then the return distribution becomes double peaked at nonzero values of return, which characterizes the out-of-equilibrium phase. On random networks, the crossover between two phases comes from the competition between two different interactions. However, on scale-free networks, not only the competition between the different interactions but also the heterogeneity of underlying topology causes the two-phase phenomena. Possible relationships between the critical phenomena of spin system and the two-phase phenomena are discussed.

A numerical multi-scale model to predict macroscopic material anisotropy of multi-phase steels from crystal plasticity material definitions

NASA Astrophysics Data System (ADS)

Ravi, Sathish Kumar; Gawad, Jerzy; Seefeldt, Marc; Van Bael, Albert; Roose, Dirk

2017-10-01

A numerical multi-scale model is being developed to predict the anisotropic macroscopic material response of multi-phase steel. The embedded microstructure is given by a meso-scale Representative Volume Element (RVE), which holds the most relevant features like phase distribution, grain orientation, morphology etc., in sufficient detail to describe the multi-phase behavior of the material. A Finite Element (FE) mesh of the RVE is constructed using statistical information from individual phases such as grain size distribution and ODF. The material response of the RVE is obtained for selected loading/deformation modes through numerical FE simulations in Abaqus. For the elasto-plastic response of the individual grains, single crystal plasticity based plastic potential functions are proposed as Abaqus material definitions. The plastic potential functions are derived using the Facet method for individual phases in the microstructure at the level of single grains. The proposed method is a new modeling framework and the results presented in terms of macroscopic flow curves are based on the building blocks of the approach, while the model would eventually facilitate the construction of an anisotropic yield locus of the underlying multi-phase microstructure derived from a crystal plasticity based framework.

Tar Production from Biomass Pyrolysis in a Fluidized Bed Reactor: A Novel Turbulent Multiphase Flow Formulation

NASA Technical Reports Server (NTRS)

Bellan, J.; Lathouwers, D.

2000-01-01

A novel multiphase flow model is presented for describing the pyrolysis of biomass in a 'bubbling' fluidized bed reactor. The mixture of biomass and sand in a gaseous flow is conceptualized as a particulate phase composed of two classes interacting with the carrier gaseous flow. The solid biomass is composed of three initial species: cellulose, hemicellulose and lignin. From each of these initial species, two new solid species originate during pyrolysis: an 'active' species and a char, thus totaling seven solid-biomass species. The gas phase is composed of the original carrier gas (steam), tar and gas; the last two species originate from the volumetric pyrolysis reaction. The conservation equations are derived from the Boltzmann equations through ensemble averaging. Stresses in the gaseous phase are the sum of the Newtonian and Reynolds (turbulent) contributions. The particulate phase stresses are the sum of collisional and Reynolds contributions. Heat transfer between phases, and heat transfer between classes in the particulate phase is modeled, the last resulting from collisions between sand and biomass. Closure of the equations must be performed by modeling the Reynolds stresses for both phases. The results of a simplified version (first step) of the model are presented.

The substorm loading-unloading cycle as reproduced by community-available global MHD magnetospheric models

NASA Astrophysics Data System (ADS)

Gordeev, Evgeny; Sergeev, Victor; Tsyganenko, Nikolay; Kuznetsova, Maria; Rastaetter, Lutz; Raeder, Joachim; Toth, Gabor; Lyon, John; Merkin, Vyacheslav; Wiltberger, Michael

2017-04-01

In this study we investigate how well the three community-available global MHD models, supported by the Community Coordinated Modeling Center (CCMC NASA), reproduce the global magnetospheric dynamics, including the loading-unloading substorm cycle. We found that in terms of global magnetic flux transport CCMC models display systematically different response to idealized 2-hour north then 2-hour south IMF Bz variation. The LFM model shows a depressed return convection in the tail plasma sheet and high rate of magnetic flux loading into the lobes during the growth phase, as well as enhanced return convection and high unloading rate during the expansion phase, with the amount of loaded/unloaded magnetotail flux and the growth phase duration being the closest to their observed empirical values during isolated substorms. BATSRUS and Open GGCM models exhibit drastically different behavior. In the BATS-R-US model the plasma sheet convection shows a smooth transition to the steady convection regime after the IMF southward turning. In the Open GGCM a weak plasma sheet convection has comparable intensities during both the growth phase and the following slow unloading phase. Our study shows that different CCMC models under the same solar wind conditions (north to south IMF variation) produce essentially different solutions in terms of global magnetospheric convection.

Roughness exponent in two-dimensional percolation, Potts model, and clock model

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

Redinz, Jose Arnaldo; Martins, Marcelo Lobato

We present a numerical study of the self-affine profiles obtained from configurations of the q-state Potts (with q=2,3, and 7) and p=10 clock models as well as from the occupation states for site percolation on the square lattice. The first and second order static phase transitions of the Potts model are located by a sharp change in the value of the roughness exponent {alpha} characterizing those profiles. The low temperature phase of the Potts model corresponds to flat ({alpha}{approx_equal}1) profiles, whereas its high temperature phase is associated with rough ({alpha}{approx_equal}0.5) ones. For the p=10 clock model, in addition to themore » flat (ferromagnetic) and rough (paramagnetic) profiles, an intermediate rough (0.5{lt}{alpha}{lt}1) phase{emdash}associated with a soft spin-wave one{emdash}is observed. Our results for the transition temperatures in the Potts and clock models are in agreement with the static values, showing that this approach is able to detect the phase transitions in these models directly from the spin configurations, without any reference to thermodynamical potentials, order parameters, or response functions. Finally, we show that the roughness exponent {alpha} is insensitive to geometric critical phenomena.« less

A compressible two-phase model for dispersed particle flows with application from dense to dilute regimes

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

McGrath, Thomas P., E-mail: thomas.p.mcgrath@navy.mil; St Clair, Jeffrey G.; Department of Mechanical and Aerospace Engineering, University of Florida, 231 MAE-A, P.O. Box 116250, Gainesville, Florida 32611

2016-05-07

Multiphase flows are present in many important fields ranging from multiphase explosions to chemical processing. An important subset of multiphase flow applications involves dispersed materials, such as particles, droplets, and bubbles. This work presents an Eulerian–Eulerian model for multiphase flows containing dispersed particles surrounded by a continuous media such as air or water. Following a large body of multiphase literature, the driving force for particle acceleration is modeled as a direct function of both the continuous-phase pressure gradient and the gradient of intergranular stress existing within the particle phase. While the application of these two components of driving force ismore » well accepted in much of the literature, other models exist in which the particle-phase pressure gradient itself drives particle motion. The multiphase model treats all phases as compressible and is derived to ensure adherence to the 2nd Law of Thermodynamics. The governing equations are presented and discussed, and a characteristic analysis shows the model to be hyperbolic, with a degeneracy in the case that the intergranular stress, which is modeled as a configuration pressure, is zero. Finally, results from a two sample problems involving shock-induced particle dispersion are presented. The results agree well with experimental measurements, providing initial confidence in the proposed model.« less

Comment on ``Glassy Potts model: A disordered Potts model without a ferromagnetic phase''

NASA Astrophysics Data System (ADS)

Carlucci, Domenico M.

1999-10-01

We report the equivalence of the ``glassy Potts model,'' recently introduced by Marinari et al. and the ``chiral Potts model'' investigated by Nishimori and Stephen. Both models do not exhibit any spontaneous magnetization at low temperature, differently from the ordinary glass Potts model. The phase transition of the glassy Potts model is easily interpreted as the spin-glass transition of the ordinary random Potts model.

Gamma model and its analysis for phase measuring profilometry.

PubMed

Liu, Kai; Wang, Yongchang; Lau, Daniel L; Hao, Qi; Hassebrook, Laurence G

2010-03-01

Phase measuring profilometry is a method of structured light illumination whose three-dimensional reconstructions are susceptible to error from nonunitary gamma in the associated optical devices. While the effects of this distortion diminish with an increasing number of employed phase-shifted patterns, gamma distortion may be unavoidable in real-time systems where the number of projected patterns is limited by the presence of target motion. A mathematical model is developed for predicting the effects of nonunitary gamma on phase measuring profilometry, while also introducing an accurate gamma calibration method and two strategies for minimizing gamma's effect on phase determination. These phase correction strategies include phase corrections with and without gamma calibration. With the reduction in noise, for three-step phase measuring profilometry, analysis of the root mean squared error of the corrected phase will show a 60x reduction in phase error when the proposed gamma calibration is performed versus 33x reduction without calibration.

Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

DOE PAGES

Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; ...

2014-11-17

Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase existsmore » for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.« less

Re-entrant phase behavior for systems with competition between phase separation and self-assembly

NASA Astrophysics Data System (ADS)

Reinhardt, Aleks; Williamson, Alexander J.; Doye, Jonathan P. K.; Carrete, Jesús; Varela, Luis M.; Louis, Ard A.

2011-03-01

In patchy particle systems where there is a competition between the self-assembly of finite clusters and liquid-vapor phase separation, re-entrant phase behavior can be observed, with the system passing from a monomeric vapor phase to a region of liquid-vapor phase coexistence and then to a vapor phase of clusters as the temperature is decreased at constant density. Here, we present a classical statistical mechanical approach to the determination of the complete phase diagram of such a system. We model the system as a van der Waals fluid, but one where the monomers can assemble into monodisperse clusters that have no attractive interactions with any of the other species. The resulting phase diagrams show a clear region of re-entrance. However, for the most physically reasonable parameter values of the model, this behavior is restricted to a certain range of density, with phase separation still persisting at high densities.

A Framework for Developing the Structure of Public Health Economic Models.

PubMed

Squires, Hazel; Chilcott, James; Akehurst, Ronald; Burr, Jennifer; Kelly, Michael P

2016-01-01

A conceptual modeling framework is a methodology that assists modelers through the process of developing a model structure. Public health interventions tend to operate in dynamically complex systems. Modeling public health interventions requires broader considerations than clinical ones. Inappropriately simple models may lead to poor validity and credibility, resulting in suboptimal allocation of resources. This article presents the first conceptual modeling framework for public health economic evaluation. The framework presented here was informed by literature reviews of the key challenges in public health economic modeling and existing conceptual modeling frameworks; qualitative research to understand the experiences of modelers when developing public health economic models; and piloting a draft version of the framework. The conceptual modeling framework comprises four key principles of good practice and a proposed methodology. The key principles are that 1) a systems approach to modeling should be taken; 2) a documented understanding of the problem is imperative before and alongside developing and justifying the model structure; 3) strong communication with stakeholders and members of the team throughout model development is essential; and 4) a systematic consideration of the determinants of health is central to identifying the key impacts of public health interventions. The methodology consists of four phases: phase A, aligning the framework with the decision-making process; phase B, identifying relevant stakeholders; phase C, understanding the problem; and phase D, developing and justifying the model structure. Key areas for further research involve evaluation of the framework in diverse case studies and the development of methods for modeling individual and social behavior. This approach could improve the quality of Public Health economic models, supporting efficient allocation of scarce resources. Copyright © 2016 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

Validating and Optimizing the Effects of Model Progression in Simulation-Based Inquiry Learning

ERIC Educational Resources Information Center

Mulder, Yvonne G.; Lazonder, Ard W.; de Jong, Ton; Anjewierden, Anjo; Bollen, Lars

2012-01-01

Model progression denotes the organization of the inquiry learning process in successive phases of increasing complexity. This study investigated the effectiveness of model progression in general, and explored the added value of either broadening or narrowing students' possibilities to change model progression phases. Results showed that…

Pressure induced phase transition and elastic properties of cerium mono-nitride (CeN)

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

Yaduvanshi, Namrata, E-mail: namrata-yaduvanshi@yahoo.com; Singh, Sadhna

2016-05-23

In the present paper, we have investigated the high-pressure structural phase transition and elastic properties of cerium mono-nitride. We studied theoretically the structural properties of this compound (CeN) by using the improved interaction potential model (IIPM) approach. This compound exhibits first order crystallographic phase transition from NaCl (B{sub 1}) to tetragonal (BCT) phase at 37 GPa. The phase transition pressures and associated volume collapse obtained from present potential model (IIPM) show a good agreement with available theoretical data.

Two-phase flow measurements with advanced instrumented spool pieces

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

Turnage, K.C.

1980-09-01

A series of two-phase, air-water and steam-water tests performed with instrumented piping spool pieces is described. The behavior of the three-beam densitometer, turbine meter, and drag flowmeter is discussed in terms of two-phase models. Results from application of some two-phase mass flow models to the recorded spool piece data are shown. Results of the study are used to make recommendations regarding spool piece design, instrument selection, and data reduction methods to obtain more accurate measurements of two-phase flow parameters. 13 refs., 23 figs., 1 tab.

Single particle analysis based on Zernike phase contrast transmission electron microscopy.

PubMed

Danev, Radostin; Nagayama, Kuniaki

2008-02-01

We present the first application of Zernike phase-contrast transmission electron microscopy to single-particle 3D reconstruction of a protein, using GroEL chaperonin as the test specimen. We evaluated the performance of the technique by comparing 3D models derived from Zernike phase contrast imaging, with models from conventional underfocus phase contrast imaging. The same resolution, about 12A, was achieved by both imaging methods. The reconstruction based on Zernike phase contrast data required about 30% fewer particles. The advantages and prospects of each technique are discussed.

Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model

NASA Astrophysics Data System (ADS)

Nemoto, Takahiro; Jack, Robert L.; Lecomte, Vivien

2017-03-01

We analyze large deviations of the time-averaged activity in the one-dimensional Fredrickson-Andersen model, both numerically and analytically. The model exhibits a dynamical phase transition, which appears as a singularity in the large deviation function. We analyze the finite-size scaling of this phase transition numerically, by generalizing an existing cloning algorithm to include a multicanonical feedback control: this significantly improves the computational efficiency. Motivated by these numerical results, we formulate an effective theory for the model in the vicinity of the phase transition, which accounts quantitatively for the observed behavior. We discuss potential applications of the numerical method and the effective theory in a range of more general contexts.

A Model for In-service Teacher Learning in the Context of an Innovation

NASA Astrophysics Data System (ADS)

Coenders, Fer; Terlouw, Cees

2015-08-01

When curricula change, teachers have to bring their knowledge and beliefs up to date. Two aspects can be distinguished: what do teachers learn and how is it learned. Two groups of teachers were involved during the preparation of a new chemistry curriculum. One group developed student learning material and subsequently enacted this in class. Another group only class-enacted this. Based on teacher learning, a model to understand teacher growth is presented. As the combination of a development phase with a class enactment phase proved instrumental, an existing model, the interconnected model of teacher professional growth, was extended. The consequence is that for teacher learning for a renewal a (re)development phase followed by a class enactment phase is essential.

The Kitaev honeycomb model on surfaces of genus g ≥ 2

NASA Astrophysics Data System (ADS)

Brennan, John; Vala, Jiří

2018-05-01

We present a construction of the Kitaev honeycomb lattice model on an arbitrary higher genus surface. We first generalize the exact solution of the model based on the Jordan–Wigner fermionization to a surface with genus g = 2, and then use this as a basic module to extend the solution to lattices of arbitrary genus. We demonstrate our method by calculating the ground states of the model in both the Abelian doubled {Z}}}2 phase and the non-Abelian Ising topological phase on lattices with the genus up to g = 6. We verify the expected ground state degeneracy of the system in both topological phases and further illuminate the role of fermionic parity in the Abelian phase.

Statistical models of lunar rocks and regolith

NASA Technical Reports Server (NTRS)

Marcus, A. H.

1973-01-01

The mathematical, statistical, and computational approaches used in the investigation of the interrelationship of lunar fragmental material, regolith, lunar rocks, and lunar craters are described. The first two phases of the work explored the sensitivity of the production model of fragmental material to mathematical assumptions, and then completed earlier studies on the survival of lunar surface rocks with respect to competing processes. The third phase combined earlier work into a detailed statistical analysis and probabilistic model of regolith formation by lithologically distinct layers, interpreted as modified crater ejecta blankets. The fourth phase of the work dealt with problems encountered in combining the results of the entire project into a comprehensive, multipurpose computer simulation model for the craters and regolith. Highlights of each phase of research are given.

Phase resetting in a model of cardiac Purkinje fiber.

PubMed Central

Guevara, M R; Shrier, A

1987-01-01

The phase-resetting response of a model of spontaneously active cardiac Purkinje fiber is investigated. The effect on the interbeat interval of injecting a 20-ms duration depolarizing current pulse is studied as a function of the phase in the cycle at which the pulse is delivered. At low current amplitudes, a triphasic response is recorded as the pulse is advanced through the cycle. At intermediate current amplitudes, the response becomes quinquephasic, due to the presence of supernormal excitability. At high current amplitudes, a triphasic response is seen once more. At low stimulus amplitudes, type 1 phase resetting occurs; at medium amplitudes, a type could not be ascribed to the phase resetting because of the presence of effectively all-or-none depolarization; at high amplitudes, type 0 phase resetting occurs. The modeling results closely correspond with published experimental data; in particular type 1 and type 0 phase resetting are seen. Implications for the induction of ventricular arrhythmias are considered. PMID:3663827

Identity-by-Descent-Based Phasing and Imputation in Founder Populations Using Graphical Models

PubMed Central

Palin, Kimmo; Campbell, Harry; Wright, Alan F; Wilson, James F; Durbin, Richard

2011-01-01

Accurate knowledge of haplotypes, the combination of alleles co-residing on a single copy of a chromosome, enables powerful gene mapping and sequence imputation methods. Since humans are diploid, haplotypes must be derived from genotypes by a phasing process. In this study, we present a new computational model for haplotype phasing based on pairwise sharing of haplotypes inferred to be Identical-By-Descent (IBD). We apply the Bayesian network based model in a new phasing algorithm, called systematic long-range phasing (SLRP), that can capitalize on the close genetic relationships in isolated founder populations, and show with simulated and real genome-wide genotype data that SLRP substantially reduces the rate of phasing errors compared to previous phasing algorithms. Furthermore, the method accurately identifies regions of IBD, enabling linkage-like studies without pedigrees, and can be used to impute most genotypes with very low error rate. Genet. Epidemiol. 2011. © 2011 Wiley Periodicals, Inc.35:853-860, 2011 PMID:22006673

Mathematical Model of Two Phase Flow in Natural Draft Wet-Cooling Tower Including Flue Gas Injection

NASA Astrophysics Data System (ADS)

Hyhlík, Tomáš

2016-03-01

The previously developed model of natural draft wet-cooling tower flow, heat and mass transfer is extended to be able to take into account the flow of supersaturated moist air. The two phase flow model is based on void fraction of gas phase which is included in the governing equations. Homogeneous equilibrium model, where the two phases are well mixed and have the same velocity, is used. The effect of flue gas injection is included into the developed mathematical model by using source terms in governing equations and by using momentum flux coefficient and kinetic energy flux coefficient. Heat and mass transfer in the fill zone is described by the system of ordinary differential equations, where the mass transfer is represented by measured fill Merkel number and heat transfer is calculated using prescribed Lewis factor.

A novel approach to model the transient behavior of solid-oxide fuel cell stacks

NASA Astrophysics Data System (ADS)

Menon, Vikram; Janardhanan, Vinod M.; Tischer, Steffen; Deutschmann, Olaf

2012-09-01

This paper presents a novel approach to model the transient behavior of solid-oxide fuel cell (SOFC) stacks in two and three dimensions. A hierarchical model is developed by decoupling the temperature of the solid phase from the fluid phase. The solution of the temperature field is considered as an elliptic problem, while each channel within the stack is modeled as a marching problem. This paper presents the numerical model and cluster algorithm for coupling between the solid phase and fluid phase. For demonstration purposes, results are presented for a stack operated on pre-reformed hydrocarbon fuel. Transient response to load changes is studied by introducing step changes in cell potential and current. Furthermore, the effect of boundary conditions and stack materials on response time and internal temperature distribution is investigated.

Thermodynamically Constrained Averaging Theory (TCAT) Two-Phase Flow Model: Derivation, Closure, and Simulation Results

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Miller, C. T.; Dye, A. L.; Gray, W. G.; McClure, J. E.; Rybak, I.

2015-12-01

The thermodynamically constrained averaging theory (TCAT) has been usedto formulate general classes of porous medium models, including newmodels for two-fluid-phase flow. The TCAT approach provides advantagesthat include a firm connection between the microscale, or pore scale,and the macroscale; a thermodynamically consistent basis; explicitinclusion of factors such as interfacial areas, contact angles,interfacial tension, and curvatures; and dynamics of interface movementand relaxation to an equilibrium state. In order to render the TCATmodel solvable, certain closure relations are needed to relate fluidpressure, interfacial areas, curvatures, and relaxation rates. In thiswork, we formulate and solve a TCAT-based two-fluid-phase flow model. We detail the formulation of the model, which is a specific instancefrom a hierarchy of two-fluid-phase flow models that emerge from thetheory. We show the closure problem that must be solved. Using recentresults from high-resolution microscale simulations, we advance a set ofclosure relations that produce a closed model. Lastly, we solve the model using a locally conservative numerical scheme and compare the TCAT model to the traditional model.

Global phase diagram of the spinless Falicov-Kimball model in d = 3 : renormalization-group theory

NASA Astrophysics Data System (ADS)

Sariyer, Ozan S.; Hinczewski, Michael; Berker, A. Nihat

2011-03-01

The global phase diagram of the spinless Falicov-Kimball model in d = 3 spatial dimensions is obtained by renormalization-group theory. This global phase diagram exhibits five distinct phases. Four of these phases are charge-ordered (CO) phases, in which the system forms two sublattices with different electron densities. The phase boundaries are second order, except for an intermediate interaction regime, where a first-order phase boundary between two CO phases occurs. The first-order phase boundary is delimited by special bicritical points. The cross-sections of the global phase diagram with respect to the chemical potentials of the localized and mobile electrons, at all representative interaction and hopping strengths, are calculated and exhibit three distinct topologies. The phase diagrams with respect to electron densities are also calculated. This research was supported by the Alexander von Humboldt Foundation, the Scientific and Technological Research Council of Turkey (TÜBITAK), and the Academy of Sciences of Turkey.

PLL application research of a broadband MEMS phase detector: Theory, measurement and modeling

NASA Astrophysics Data System (ADS)

Han, Juzheng; Liao, Xiaoping

2017-06-01

This paper evaluates the capability of a broadband MEMS phase detector in the application of phase locked loops (PLLs) through the aspect of theory, measurement and modeling. For the first time, it demonstrates how broadband property and optimized structure are realized through cascaded transmission lines and ANSYS simulations. The broadband MEMS phase detector shows potential in PLL application for its dc voltage output and large power handling ability which is important for munition applications. S-parameters of the power combiner in the MEMS phase detector are measured with S11 better than -15 dB and S23 better than -10 dB over the whole X-band. Compared to our previous works, developed phase detection measurements are performed and focused on signals at larger power levels up to 1 W. Cosine tendencies are revealed between the output voltage and the phase difference for both small and large signals. Simulation approach through equivalent circuit modeling is proposed to study the PLL application of the broadband MEMS phase detector. Synchronization and tracking properties are revealed.

Simulating mixed-phase Arctic stratus clouds: sensitivity to ice initiation mechanisms

NASA Astrophysics Data System (ADS)

Sednev, I.; Menon, S.; McFarquhar, G.

2008-06-01

The importance of Arctic mixed-phase clouds on radiation and the Arctic climate is well known. However, the development of mixed-phase cloud parameterization for use in large scale models is limited by lack of both related observations and numerical studies using multidimensional models with advanced microphysics that provide the basis for understanding the relative importance of different microphysical processes that take place in mixed-phase clouds. To improve the representation of mixed-phase cloud processes in the GISS GCM we use the GISS single-column model coupled to a bin resolved microphysics (BRM) scheme that was specially designed to simulate mixed-phase clouds and aerosol-cloud interactions. Using this model with the microphysical measurements obtained from the DOE ARM Mixed-Phase Arctic Cloud Experiment (MPACE) campaign in October 2004 at the North Slope of Alaska, we investigate the effect of ice initiation processes and Bergeron-Findeisen process (BFP) on glaciation time and longevity of single-layer stratiform mixed-phase clouds. We focus on observations taken during 9th-10th October, which indicated the presence of a single-layer mixed-phase clouds. We performed several sets of 12-h simulations to examine model sensitivity to different ice initiation mechanisms and evaluate model output (hydrometeors' concentrations, contents, effective radii, precipitation fluxes, and radar reflectivity) against measurements from the MPACE Intensive Observing Period. Overall, the model qualitatively simulates ice crystal concentration and hydrometeors content, but it fails to predict quantitatively the effective radii of ice particles and their vertical profiles. In particular, the ice effective radii are overestimated by at least 50%. However, using the same definition as used for observations, the effective radii simulated and that observed were more comparable. We find that for the single-layer stratiform mixed-phase clouds simulated, process of ice phase initiation due to freezing of supercooled water in both saturated and undersaturated (w.r.t. water) environments is as important as primary ice crystal origination from water vapor. We also find that the BFP is a process mainly responsible for the rates of glaciation of simulated clouds. These glaciation rates cannot be adequately represented by a water-ice saturation adjustment scheme that only depends on temperature and liquid and solid hydrometeors' contents as is widely used in bulk microphysics schemes and are better represented by processes that also account for supersaturation changes as the hydrometeors grow.

Simulating mixed-phase Arctic stratus clouds: sensitivity to ice initiation mechanisms

NASA Astrophysics Data System (ADS)

Sednev, I.; Menon, S.; McFarquhar, G.

2009-07-01

The importance of Arctic mixed-phase clouds on radiation and the Arctic climate is well known. However, the development of mixed-phase cloud parameterization for use in large scale models is limited by lack of both related observations and numerical studies using multidimensional models with advanced microphysics that provide the basis for understanding the relative importance of different microphysical processes that take place in mixed-phase clouds. To improve the representation of mixed-phase cloud processes in the GISS GCM we use the GISS single-column model coupled to a bin resolved microphysics (BRM) scheme that was specially designed to simulate mixed-phase clouds and aerosol-cloud interactions. Using this model with the microphysical measurements obtained from the DOE ARM Mixed-Phase Arctic Cloud Experiment (MPACE) campaign in October 2004 at the North Slope of Alaska, we investigate the effect of ice initiation processes and Bergeron-Findeisen process (BFP) on glaciation time and longevity of single-layer stratiform mixed-phase clouds. We focus on observations taken during 9-10 October, which indicated the presence of a single-layer mixed-phase clouds. We performed several sets of 12-h simulations to examine model sensitivity to different ice initiation mechanisms and evaluate model output (hydrometeors' concentrations, contents, effective radii, precipitation fluxes, and radar reflectivity) against measurements from the MPACE Intensive Observing Period. Overall, the model qualitatively simulates ice crystal concentration and hydrometeors content, but it fails to predict quantitatively the effective radii of ice particles and their vertical profiles. In particular, the ice effective radii are overestimated by at least 50%. However, using the same definition as used for observations, the effective radii simulated and that observed were more comparable. We find that for the single-layer stratiform mixed-phase clouds simulated, process of ice phase initiation due to freezing of supercooled water in both saturated and subsaturated (w.r.t. water) environments is as important as primary ice crystal origination from water vapor. We also find that the BFP is a process mainly responsible for the rates of glaciation of simulated clouds. These glaciation rates cannot be adequately represented by a water-ice saturation adjustment scheme that only depends on temperature and liquid and solid hydrometeors' contents as is widely used in bulk microphysics schemes and are better represented by processes that also account for supersaturation changes as the hydrometeors grow.

Modeling the Atmospheric Phase Effects of a Digital Antenna Array Communications System

NASA Technical Reports Server (NTRS)

Tkacenko, A.

2006-01-01

In an antenna array system such as that used in the Deep Space Network (DSN) for satellite communication, it is often necessary to account for the effects due to the atmosphere. Typically, the atmosphere induces amplitude and phase fluctuations on the transmitted downlink signal that invalidate the assumed stationarity of the signal model. The degree to which these perturbations affect the stationarity of the model depends both on parameters of the atmosphere, including wind speed and turbulence strength, and on parameters of the communication system, such as the sampling rate used. In this article, we focus on modeling the atmospheric phase fluctuations in a digital antenna array communications system. Based on a continuous-time statistical model for the atmospheric phase effects, we show how to obtain a related discrete-time model based on sampling the continuous-time process. The effects of the nonstationarity of the resulting signal model are investigated using the sample matrix inversion (SMI) algorithm for minimum mean-squared error (MMSE) equalization of the received signal

Emergent Chiral Spin State in the Mott Phase of a Bosonic Kane-Mele-Hubbard Model

NASA Astrophysics Data System (ADS)

Plekhanov, Kirill; Vasić, Ivana; Petrescu, Alexandru; Nirwan, Rajbir; Roux, Guillaume; Hofstetter, Walter; Le Hur, Karyn

2018-04-01

Recently, the frustrated X Y model for spins 1 /2 on the honeycomb lattice has attracted a lot of attention in relation with the possibility to realize a chiral spin liquid state. This model is relevant to the physics of some quantum magnets. Using the flexibility of ultracold atom setups, we propose an alternative way to realize this model through the Mott regime of the bosonic Kane-Mele-Hubbard model. The phase diagram of this model is derived using bosonic dynamical mean-field theory. Focusing on the Mott phase, we investigate its magnetic properties as a function of frustration. We do find an emergent chiral spin state in the intermediate frustration regime. Using exact diagonalization we study more closely the physics of the effective frustrated X Y model and the properties of the chiral spin state. This gapped phase displays a chiral order, breaking time-reversal and parity symmetry, but is not topologically ordered (the Chern number is zero).

Characterizing Phase Transitions in a Model of Neutral Evolutionary Dynamics

NASA Astrophysics Data System (ADS)

Scott, Adam; King, Dawn; Bahar, Sonya

2013-03-01

An evolutionary model was recently introduced for sympatric, phenotypic evolution over a variable fitness landscape with assortative mating (Dees & Bahar 2010). Organisms in the model are described by coordinates in a two-dimensional phenotype space, born at random coordinates with limited variation from their parents as determined by a mutation parameter, mutability. The model has been extended to include both neutral evolution and asexual reproduction in Scott et al (submitted). It has been demonstrated that a second order, non-equilibrium phase transition occurs for the temporal dynamics as the mutability is varied, for both the original model and for neutral conditions. This transition likely belongs to the directed percolation universality class. In contrast, the spatial dynamics of the model shows characteristics of an ordinary percolation phase transition. Here, we characterize the phase transitions exhibited by this model by determining critical exponents for the relaxation times, characteristic lengths, and cluster (species) mass distributions. Missouri Research Board; J.S. McDonnell Foundation

A battery power model for the EUVE spacecraft

NASA Technical Reports Server (NTRS)

Yen, Wen L.; Littlefield, Ronald G.; Mclean, David R.; Tuchman, Alan; Broseghini, Todd A.; Page, Brenda J.

1993-01-01

This paper describes a battery power model that has been developed to simulate and predict the behavior of the 50 ampere-hour nickel-cadmium battery that supports the Extreme Ultraviolet Explorer (EUVE) spacecraft in its low Earth orbit. First, for given orbit, attitude, solar array panel and spacecraft load data, the model calculates minute-by-minute values for the net power available for charging the battery for a user-specified time period (usually about two weeks). Next, the model is used to calculate minute-by-minute values for the battery voltage, current and state-of-charge for the time period. The model's calculations are explained for its three phases: sunrise charging phase, constant voltage phase, and discharge phase. A comparison of predicted model values for voltage, current and state-of-charge with telemetry data for a complete charge-discharge cycle shows good correlation. This C-based computer model will be used by the EUVE Flight Operations Team for various 'what-if' scheduling analyses.

An AeroCom Assessment of Black Carbon in Arctic Snow and Sea Ice

NASA Technical Reports Server (NTRS)

Jiao, C.; Flanner, M. G.; Balkanski, Y.; Bauer, S. E.; Bellouin, N.; Bernsten, T. K.; Bian, H.; Carslaw, K. S.; Chin, M.; DeLuca, N.;

Surface-wave amplitude analysis for array data with non-linear waveform fitting: Toward high-resolution attenuation models of the upper mantle

NASA Astrophysics Data System (ADS)

Hamada, K.; Yoshizawa, K.

2013-12-01

Anelastic attenuation of seismic waves provides us with valuable information on temperature and water content in the Earth's mantle. While seismic velocity models have been investigated by many researchers, anelastic attenuation (or Q) models have yet to be investigated in detail mainly due to the intrinsic difficulties and uncertainties in the amplitude analysis of observed seismic waveforms. To increase the horizontal resolution of surface wave attenuation models on a regional scale, we have developed a new method of fully non-linear waveform fitting to measure inter-station phase velocities and amplitude ratios simultaneously, using the Neighborhood Algorithm (NA) as a global optimizer. Model parameter space (perturbations of phase speed and amplitude ratio) is explored to fit two observed waveforms on a common great-circle path by perturbing both phase and amplitude of the fundamental-mode surface waves. This method has been applied to observed waveform data of the USArray from 2007 to 2008, and a large-number of inter-station amplitude and phase speed data are corrected in a period range from 20 to 200 seconds. We have constructed preliminary phase speed and attenuation models using the observed phase and amplitude data, with careful considerations of the effects of elastic focusing and station correction factors for amplitude data. The phase velocity models indicate good correlation with the conventional tomographic results in North America on a large-scale; e.g., significant slow velocity anomaly in volcanic regions in the western United States. The preliminary results of surface-wave attenuation achieved a better variance reduction when the amplitude data are inverted for attenuation models in conjunction with corrections for receiver factors. We have also taken into account the amplitude correction for elastic focusing based on a geometrical ray theory, but its effects on the final model is somewhat limited and our attenuation model show anti-correlation with the phase velocity models; i.e., lower attenuation is found in slower velocity areas that cannot readily be explained by the temperature effects alone. Some former global scale studies (e.g., Dalton et al., JGR, 2006) indicated that the ray-theoretical focusing corrections on amplitude data tend to eliminate such anti-correlation of phase speed and attenuation, but this seems not to work sufficiently well for our regional scale model, which is affected by stronger velocity gradient relative to global-scale models. Thus, the estimated elastic focusing effects based on ray theory may be underestimated in our regional-scale studies. More rigorous ways to estimate the focusing corrections as well as data selection criteria for amplitude measurements are required to achieve a high-resolution attenuation models on regional scales in the future.

Phase Stability for the Pd-Si System. First-Principles, Experiments, and Solution-Based Modeling

DOE PAGES

Zhou, S. H.; Huo, Y.; Napolitano, Ralph E.

2015-11-05

Relative stabilities of the compounds in the binary Pd-Si system were assessed using first-principles calculations and experimental methods. Calculations of lattice parameters and enthalpy of formation indicate that Pd 5Si-μ, Pd 9Si 2-α, Pd 3 Si-β, Pd 2 Si-γ, and PdSi-δ are the stable phases at 0 K (-273 °C). X-ray diffraction analyses (XRD) and electron probe microanalysis (EPMA) of the as-solidified and heat-treated samples support the computational findings, except that the PdSi-δ phase was not observed at low temperature. Considering both experimental data and first-principles results, the compounds Pd 5 Si-μ, Pd 9 Si 2-α, Pd 3Si-β, and Pdmore » 2Si-γ are treated as stable phases down to 0 K (-273 °C), while the PdSi-δ is treated as being stable over a limited range, exhibiting a lower bound. Using these findings, a comprehensive solution-based thermodynamic model is formulated for the Pd-Si system, permitting phase diagram calculation. Moreover, the liquid phase is described using a three-species association model and other phases are treated as solid solutions, where a random substitutional model is adopted for Pd-fcc and Si-dia, and a two-sublattice model is employed for Pd 5Si-μ, Pd 9Si 2-α, Pd 3Si-β, Pd 2Si-γ, and PdSi-δ. Model parameters are fitted using available experimental data and first-principles data, and the resulting phase diagram is reported over the full range of compositions.« less

Thermal-hydrodynamic-chemical (THC) modeling based on geothermal field data

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

Kiryukhin, Alexey; Xu, Tianfu; Pruess, Karsten

Data on fluid chemistry and rock mineralogy are evaluated for a number of geothermal fields located in the volcanic arc of Japan and Kamchatka, Russia, Common chemical characteristics are identified and used to define scenarios for detailed numerical modeling of coupled thermal hydrodynamic chemical (THC) processes. The following scenarios of parental geothermal fluid upflow were studied: (1) single-phase conditions, 260 C at the bottom ( Ogiri type); (2) two-phase conditions, 300 C at the bottom ( Hatchobaru type); and (3) heat pipe conditions, 260 C at the bottom ( Matsukawa type). THC modeling for the single-phase upflow scenario shows wairakite,more » quartz, K-feld spar and chlorite formed as the principal secondary minerals in the production zone, and illite-smectite formed below 230 C. THC modeling of the two-phase upflow shows that quartz, K-feldspar (microcline), wairakite and calcite precipitate in the model as principal secondary minerals in the production zone. THC modeling of heat pipe conditions shows no significant secondary deposition of minerals (quartz, K-feldspar, zeolites) in the production zone. The influence of thermodynamic and kinetic parameters of chemical interaction, and of mass fluxes on mineral phase changes, was found to be significant, depending on the upflow regime. It was found that no parental geothermal fluid inflow is needed for zeolite precipitation, which occurs above 140 C in saturated andesite, provided that the porosity is greater than 0.001. In contrast, quartz and K-feldspar precipitation may result in a significant porosity reduction over a hundred-year time scale under mass flux conditions, and complete fracture sealing will occur given sufficient time under either single-phase or two-phase upflow scenarios. A heat pipe scenario shows no significant porosity reduction due to lack of secondary mineral phase deposition.« less

Phase Stability for the Pd-Si System. First-Principles, Experiments, and Solution-Based Modeling

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

Zhou, S. H.; Huo, Y.; Napolitano, Ralph E.

Relative stabilities of the compounds in the binary Pd-Si system were assessed using first-principles calculations and experimental methods. Calculations of lattice parameters and enthalpy of formation indicate that Pd 5Si-μ, Pd 9Si 2-α, Pd 3 Si-β, Pd 2 Si-γ, and PdSi-δ are the stable phases at 0 K (-273 °C). X-ray diffraction analyses (XRD) and electron probe microanalysis (EPMA) of the as-solidified and heat-treated samples support the computational findings, except that the PdSi-δ phase was not observed at low temperature. Considering both experimental data and first-principles results, the compounds Pd 5 Si-μ, Pd 9 Si 2-α, Pd 3Si-β, and Pdmore » 2Si-γ are treated as stable phases down to 0 K (-273 °C), while the PdSi-δ is treated as being stable over a limited range, exhibiting a lower bound. Using these findings, a comprehensive solution-based thermodynamic model is formulated for the Pd-Si system, permitting phase diagram calculation. Moreover, the liquid phase is described using a three-species association model and other phases are treated as solid solutions, where a random substitutional model is adopted for Pd-fcc and Si-dia, and a two-sublattice model is employed for Pd 5Si-μ, Pd 9Si 2-α, Pd 3Si-β, Pd 2Si-γ, and PdSi-δ. Model parameters are fitted using available experimental data and first-principles data, and the resulting phase diagram is reported over the full range of compositions.« less

Analysis and IbM simulation of the stages in bacterial lag phase: basis for an updated definition.

PubMed

Prats, Clara; Giró, Antoni; Ferrer, Jordi; López, Daniel; Vives-Rego, Josep

2008-05-07

The lag phase is the initial phase of a culture that precedes exponential growth and occurs when the conditions of the culture medium differ from the pre-inoculation conditions. It is usually defined by means of cell density because the number of individuals remains approximately constant or slowly increases, and it is quantified with the lag parameter lambda. The lag phase has been studied through mathematical modelling and by means of specific experiments. In recent years, Individual-based Modelling (IbM) has provided helpful insights into lag phase studies. In this paper, the definition of lag phase is thoroughly examined. Evolution of the total biomass and the total number of bacteria during lag phase is tackled separately. The lag phase lasts until the culture reaches a maximum growth rate both in biomass and cell density. Once in the exponential phase, both rates are constant over time and equal to each other. Both evolutions are split into an initial phase and a transition phase, according to their growth rates. A population-level mathematical model is presented to describe the transitional phase in cell density. INDividual DIScrete SIMulation (INDISIM) is used to check the outcomes of this analysis. Simulations allow the separate study of the evolution of cell density and total biomass in a batch culture, they provide a depiction of different observed cases in lag evolution at the individual-cell level, and are used to test the population-level model. The results show that the geometrical lag parameter lambda is not appropriate as a universal definition for the lag phase. Moreover, the lag phase cannot be characterized by a single parameter. For the studied cases, the lag phases of both the total biomass and the population are required to fully characterize the evolution of bacterial cultures. The results presented prove once more that the lag phase is a complex process that requires a more complete definition. This will be possible only after the phenomena governing the population dynamics at an individual level of description, and occurring during the lag and exponential growth phases, are well understood.

Simulating the onset of spring vegetation growth across the Northern Hemisphere.

PubMed

Liu, Qiang; Fu, Yongshuo H; Liu, Yongwen; Janssens, Ivan A; Piao, Shilong

2018-03-01

Changes in the spring onset of vegetation growth in response to climate change can profoundly impact climate-biosphere interactions. Thus, robust simulation of spring onset is essential to accurately predict ecosystem responses and feedback to ongoing climate change. To date, the ability of vegetation phenology models to reproduce spatiotemporal patterns of spring onset at larger scales has not been thoroughly investigated. In this study, we took advantage of phenology observations via remote sensing to calibrate and evaluated six models, including both one-phase (considering only forcing temperatures) and two-phase (involving forcing, chilling, and photoperiod) models across the Northern Hemisphere between 1982 and 2012. Overall, we found that the model that integrated the photoperiod effect performed best at capturing spatiotemporal patterns of spring phenology in boreal and temperate forests. By contrast, all of the models performed poorly in simulating the onset of growth in grasslands. These results suggest that the photoperiod plays a role in controlling the onset of growth in most Northern Hemisphere forests, whereas other environmental factors (e.g., precipitation) should be considered when simulating the onset of growth in grasslands. We also found that the one-phase model performed as well as the two-phase models in boreal forests, which implies that the chilling requirement is probably fulfilled across most of the boreal zone. Conversely, two-phase models performed better in temperate forests than the one-phase model, suggesting that photoperiod and chilling play important roles in these temperate forests. Our results highlight the significance of including chilling and photoperiod effects in models of the spring onset of forest growth at large scales, and indicate that the consideration of additional drivers may be required for grasslands. © 2017 John Wiley & Sons Ltd.

Sensitivity of tumor motion simulation accuracy to lung biomechanical modeling approaches and parameters.

PubMed

Tehrani, Joubin Nasehi; Yang, Yin; Werner, Rene; Lu, Wei; Low, Daniel; Guo, Xiaohu; Wang, Jing

2015-11-21

Finite element analysis (FEA)-based biomechanical modeling can be used to predict lung respiratory motion. In this technique, elastic models and biomechanical parameters are two important factors that determine modeling accuracy. We systematically evaluated the effects of lung and lung tumor biomechanical modeling approaches and related parameters to improve the accuracy of motion simulation of lung tumor center of mass (TCM) displacements. Experiments were conducted with four-dimensional computed tomography (4D-CT). A Quasi-Newton FEA was performed to simulate lung and related tumor displacements between end-expiration (phase 50%) and other respiration phases (0%, 10%, 20%, 30%, and 40%). Both linear isotropic and non-linear hyperelastic materials, including the neo-Hookean compressible and uncoupled Mooney-Rivlin models, were used to create a finite element model (FEM) of lung and tumors. Lung surface displacement vector fields (SDVFs) were obtained by registering the 50% phase CT to other respiration phases, using the non-rigid demons registration algorithm. The obtained SDVFs were used as lung surface displacement boundary conditions in FEM. The sensitivity of TCM displacement to lung and tumor biomechanical parameters was assessed in eight patients for all three models. Patient-specific optimal parameters were estimated by minimizing the TCM motion simulation errors between phase 50% and phase 0%. The uncoupled Mooney-Rivlin material model showed the highest TCM motion simulation accuracy. The average TCM motion simulation absolute errors for the Mooney-Rivlin material model along left-right, anterior-posterior, and superior-inferior directions were 0.80 mm, 0.86 mm, and 1.51 mm, respectively. The proposed strategy provides a reliable method to estimate patient-specific biomechanical parameters in FEM for lung tumor motion simulation.

Sensitivity of Tumor Motion Simulation Accuracy to Lung Biomechanical Modeling Approaches and Parameters

PubMed Central

Tehrani, Joubin Nasehi; Yang, Yin; Werner, Rene; Lu, Wei; Low, Daniel; Guo, Xiaohu

2015-01-01

Finite element analysis (FEA)-based biomechanical modeling can be used to predict lung respiratory motion. In this technique, elastic models and biomechanical parameters are two important factors that determine modeling accuracy. We systematically evaluated the effects of lung and lung tumor biomechanical modeling approaches and related parameters to improve the accuracy of motion simulation of lung tumor center of mass (TCM) displacements. Experiments were conducted with four-dimensional computed tomography (4D-CT). A Quasi-Newton FEA was performed to simulate lung and related tumor displacements between end-expiration (phase 50%) and other respiration phases (0%, 10%, 20%, 30%, and 40%). Both linear isotropic and non-linear hyperelastic materials, including the Neo-Hookean compressible and uncoupled Mooney-Rivlin models, were used to create a finite element model (FEM) of lung and tumors. Lung surface displacement vector fields (SDVFs) were obtained by registering the 50% phase CT to other respiration phases, using the non-rigid demons registration algorithm. The obtained SDVFs were used as lung surface displacement boundary conditions in FEM. The sensitivity of TCM displacement to lung and tumor biomechanical parameters was assessed in eight patients for all three models. Patient-specific optimal parameters were estimated by minimizing the TCM motion simulation errors between phase 50% and phase 0%. The uncoupled Mooney-Rivlin material model showed the highest TCM motion simulation accuracy. The average TCM motion simulation absolute errors for the Mooney-Rivlin material model along left-right (LR), anterior-posterior (AP), and superior-inferior (SI) directions were 0.80 mm, 0.86 mm, and 1.51 mm, respectively. The proposed strategy provides a reliable method to estimate patient-specific biomechanical parameters in FEM for lung tumor motion simulation. PMID:26531324

Proceedings of the 1989 Antenna Applications Symposium. Volume 2

DTIC Science & Technology

1990-03-01

together with the power and phase of the four active sources. This information was determined and subsequently compared with recorded ERP. As component...temperature profile T2. Applying the negated RA values as phase shifter commands generates constant phase across the aperture at temperature T1 in...over the band for both cases. The phase prediction was compared to a Touchstone circuit model and the error with respect to this model is plotted in

Quasi-phases and pseudo-transitions in one-dimensional models with nearest neighbor interactions

NASA Astrophysics Data System (ADS)

de Souza, S. M.; Rojas, Onofre

2018-01-01

There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be confused naively with an authentic phase transition. Through the analysis of the first derivative of free energy, such as entropy, magnetization, and internal energy, a "sudden" jump that closely resembles a first-order phase transition at finite temperature occurs. However, by analyzing the second derivative of free energy, such as specific heat and magnetic susceptibility at finite temperature, it behaves quite similarly to a second-order phase transition exhibiting an astonishingly sharp and fine peak. The correlation length also confirms the evidence of this pseudo-transition temperature, where a sharp peak occurs at the pseudo-critical temperature. We also present the necessary conditions for the emergence of these quasi-phases and pseudo-transitions.

Investigation into the propagation of Omega very low frequency signals and techniques for improvement of navigation accuracy including differential and composite omega

NASA Technical Reports Server (NTRS)

1973-01-01

An analysis of Very Low Frequency propagation in the atmosphere in the 10-14 kHz range leads to a discussion of some of the more significant causes of phase perturbation. The method of generating sky-wave corrections to predict the Omega phase is discussed. Composite Omega is considered as a means of lane identification and of reducing Omega navigation error. A simple technique for generating trapezoidal model (T-model) phase prediction is presented and compared with the Navy predictions and actual phase measurements. The T-model prediction analysis illustrates the ability to account for the major phase shift created by the diurnal effects on the lower ionosphere. An analysis of the Navy sky-wave correction table is used to provide information about spatial and temporal correlation of phase correction relative to the differential mode of operation.