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Sample records for thermal unfolding simulations

  1. Thermal- and urea-induced unfolding processes of glutathione S-transferase by molecular dynamics simulation.

    Science.gov (United States)

    Li, Jiahuang; Chen, Yuan; Yang, Jie; Hua, Zichun

    2015-05-01

    The Schistosoma juponicum 26 kDa glutathione S-transferase (sj26GST) consists of the N-terminal domain (N-domain), containing three alpha-helices (named H1-H3) and four anti-parallel beta-strands (S1-S4), and the C-terminal domain (C-domain), comprising five alpha-helices (named H4-H8). In present work, molecular dynamics simulations and fluorescence spectroscopic were used to gain insights into the unfolding process of sj26GST. The molecular dynamics simulations on sj26GST subunit both in water and in 8 M urea were carried out at 300 K, 400 K and 500 K, respectively. Spectroscopic measurements were employed to monitor structural changes. Molecular dynamics simulations of sj26GST subunit induced by urea and temperature showed that the initial unfolding step of sj26GST both in water and urea occurred on N-domain, involving the disruption of helices H2, H3 and strands S3 and S4, whereas H6 was the last region exposed to solution and was the last helix to unfold. Moreover, simulations analyses combining with fluorescence and circular dichroism spectra indicated that N-domain could not fold independent, suggesting that correct folding of N-domain depended on its interactions with C-domain. We further proposed that the folding of GSTs could begin with the hydrophobic collapse of C-domain whose H4, H5, H6 and H7 could move close to each other and form a hydrophobic core, especially H6 wrapped in the hydrophobic center and beginning spontaneous formation of the helix. S3, S4, H3, and H2 could form in the wake of the interaction between C-domain and N-domain. The paper can offer insights into the molecular mechanism of GSTs unfolding. © 2014 Wiley Periodicals, Inc.

  2. CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure, (thermo-)stability, and function.

    Science.gov (United States)

    Krüger, Dennis M; Rathi, Prakash Chandra; Pfleger, Christopher; Gohlke, Holger

    2013-07-01

    The Constraint Network Analysis (CNA) web server provides a user-friendly interface to the CNA approach developed in our laboratory for linking results from rigidity analyses to biologically relevant characteristics of a biomolecular structure. The CNA web server provides a refined modeling of thermal unfolding simulations that considers the temperature dependence of hydrophobic tethers and computes a set of global and local indices for quantifying biomacromolecular stability. From the global indices, phase transition points are identified where the structure switches from a rigid to a floppy state; these phase transition points can be related to a protein's (thermo-)stability. Structural weak spots (unfolding nuclei) are automatically identified, too; this knowledge can be exploited in data-driven protein engineering. The local indices are useful in linking flexibility and function and to understand the impact of ligand binding on protein flexibility. The CNA web server robustly handles small-molecule ligands in general. To overcome issues of sensitivity with respect to the input structure, the CNA web server allows performing two ensemble-based variants of thermal unfolding simulations. The web server output is provided as raw data, plots and/or Jmol representations. The CNA web server, accessible at http://cpclab.uni-duesseldorf.de/cna or http://www.cnanalysis.de, is free and open to all users with no login requirement.

  3. Thermal dissociation and unfolding of insulin

    DEFF Research Database (Denmark)

    Huus, Kasper; Havelund, Svend; Olsen, Helle B

    2005-01-01

    The thermal stability of human insulin was studied by differential scanning microcalorimetry and near-UV circular dichroism as a function of zinc/protein ratio, to elucidate the dissociation and unfolding processes of insulin in different association states. Zinc-free insulin, which is primarily...... dimeric at room temperature, unfolded at approximately 70 degrees C. The two monomeric insulin mutants Asp(B28) and Asp(B9),Glu(B27) unfolded at higher temperatures, but with enthalpies of unfolding that were approximately 30% smaller. Small amounts of zinc caused a biphasic thermal denaturation pattern...... of insulin. The biphasic denaturation is caused by a redistribution of zinc ions during the heating process and results in two distinct transitions with T(m)'s of approximately 70 and approximately 87 degrees C corresponding to monomer/dimer and hexamer, respectively. At high zinc concentrations (>or=5 Zn(2...

  4. Thermal unfolding of barstar and the properties of interfacial water around the unfolded forms

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Somedatta; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur - 721302 (India)

    2013-12-21

    Identification of the intermediates along the folding-unfolding pathways and probing their interactions with surrounding solvent are two important but relatively unexplored issues in protein folding. In this work, we have carried out atomistic molecular dynamics simulations to study the thermal unfolding of barstar in aqueous solution from its folded native form at two different temperatures (400 K and 450 K). The calculations at 400 K reveal partial unfolding of two α-helices (helix-1 and helix-2) and their interconnecting loop. At 450 K, on the other hand, the entire protein attains an expanded flexible conformation due to disruption of a large fraction of tertiary contacts and breaking of almost all the secondary structures. These two disordered structures obtained at such high temperatures are then studied around room temperature to probe their influence on the properties of surrounding solvent. It is found that though the unfolding of the protein in general leads to increasingly hydrated interface, but new structural motifs with locally dehydrated interface may also form during the structural transition. Additionally, independent of the conformational state of the protein, its influence on surrounding solvent has been found to be restricted to the first hydration layer.

  5. Towards data warehousing and mining of protein unfolding simulation data.

    Science.gov (United States)

    Berrar, Daniel; Stahl, Frederic; Silva, Candida; Rodrigues, J Rui; Brito, Rui M M; Dubitzky, Werner

    2005-10-01

    The prediction of protein structure and the precise understanding of protein folding and unfolding processes remains one of the greatest challenges in structural biology and bioinformatics. Computer simulations based on molecular dynamics (MD) are at the forefront of the effort to gain a deeper understanding of these complex processes. Currently, these MD simulations are usually on the order of tens of nanoseconds, generate a large amount of conformational data and are computationally expensive. More and more groups run such simulations and generate a myriad of data, which raises new challenges in managing and analyzing these data. Because the vast range of proteins researchers want to study and simulate, the computational effort needed to generate data, the large data volumes involved, and the different types of analyses scientists need to perform, it is desirable to provide a public repository allowing researchers to pool and share protein unfolding data. To adequately organize, manage, and analyze the data generated by unfolding simulation studies, we designed a data warehouse system that is embedded in a grid environment to facilitate the seamless sharing of available computer resources and thus enable many groups to share complex molecular dynamics simulations on a more regular basis. To gain insight into the conformational fluctuations and stability of the monomeric forms of the amyloidogenic protein transthyretin (TTR), molecular dynamics unfolding simulations of the monomer of human TTR have been conducted. Trajectory data and meta-data of the wild-type (WT) protein and the highly amyloidogenic variant L55P-TTR represent the test case for the data warehouse. Web and grid services, especially pre-defined data mining services that can run on or 'near' the data repository of the data warehouse, are likely to play a pivotal role in the analysis of molecular dynamics unfolding data.

  6. Thermal unfolding of a Ca- and Lanthanide-binding protein

    Energy Technology Data Exchange (ETDEWEB)

    Fahmy, Karim [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Biophysics; Goettfert, M. [Technische Univ. Dresden (Germany); Knoeppel, J.

    2017-06-01

    The MIIA (metal ion-induced autocleavage)-domain of the protein Vic001052 from the pathogen Vibrio coralliilyticus, comprises 173 amino acids and exhibits Ca-dependent autoproteolytic activity. It shows homology to nodulation proteins which are secreted by Rhizobiacea into plant host cells where they exert Ca-dependent functions. We have studied the structural and energetic aspects of metal protein interactions of the MIIA domain which appear attractive for engineering metal-binding synthetic peptides. Using a non-cleavable MIIA domain construct, we detected very similar structural changes upon binding to Ca{sup 2+} and Eu{sup 3+}. The thermal denaturation of the Ca-bound state was studied by circular dichroism spectroscopy. The metal-bound folded state unfolds reversibly into an unstructured metal-free state similar to the metal-free state at room temperature.

  7. Unfolding Simulations of Holomyoglobin from Four Mammals: Identification of Intermediates and β-Sheet Formation from Partially Unfolded States

    DEFF Research Database (Denmark)

    Dasmeh, Pouria; Kepp, Kasper Planeta

    2013-01-01

    simulations of holoMb and the first comparative study of unfolding of protein orthologs from different species (sperm whale, pig, horse, and harbor seal). We also provide new interpretations of experimental mean molecular ellipticities of myoglobin intermediates, notably correcting for random coil and number...... of helices in intermediates. The simulated holoproteins at 310 K displayed structures and dynamics in agreement with crystal structures (Rg ,1.48–1.51 nm, helicity ,75%). At 400 K, heme was not lost, but some helix loss was observed in pig and horse, suggesting that these helices are less stable......Myoglobin (Mb) is a centrally important, widely studied mammalian protein. While much work has investigated multi-step unfolding of apoMb using acid or denaturant, holomyoglobin unfolding is poorly understood despite its biological relevance. We present here the first systematic unfolding...

  8. The Unfolding MD Simulations of Cyclophilin: Analyzed by Surface Contact Networks and Their Associated Metrics

    Science.gov (United States)

    Roy, Sourav; Basu, Sankar; Dasgupta, Dipak; Bhattacharyya, Dhananjay; Banerjee, Rahul

    2015-01-01

    Currently, considerable interest exists with regard to the dissociation of close packed aminoacids within proteins, in the course of unfolding, which could result in either wet or dry moltenglobules. The progressive disjuncture of residues constituting the hydrophobic core ofcyclophilin from L. donovani (LdCyp) has been studied during the thermal unfolding of the molecule, by molecular dynamics simulations. LdCyp has been represented as a surface contactnetwork (SCN) based on the surface complementarity (Sm) of interacting residues within themolecular interior. The application of Sm to side chain packing within proteins make it a very sensitive indicator of subtle perturbations in packing, in the thermal unfolding of the protein. Network based metrics have been defined to track the sequential changes in the disintegration ofthe SCN spanning the hydrophobic core of LdCyp and these metrics prove to be highly sensitive compared to traditional metrics in indicating the increased conformational (and dynamical) flexibility in the network. These metrics have been applied to suggest criteria distinguishing DMG, WMG and transition state ensembles and to identify key residues involved in crucial conformational/topological events during the unfolding process. PMID:26545107

  9. Experimental parameterization of an energy function for the simulation of unfolded proteins

    DEFF Research Database (Denmark)

    Norgaard, A.B.; Ferkinghoff-Borg, Jesper; Lindorff-Larsen, K.

    2008-01-01

    The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle and e...... and can be applied to a range of experimental data and energy functions including the force fields used in molecular dynamics simulations.......The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle...

  10. Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.

    Science.gov (United States)

    Romero-Romero, Sergio; Costas, Miguel; Rodríguez-Romero, Adela; Alejandro Fernández-Velasco, D

    2015-08-28

    Temperature is one of the main variables that modulate protein function and stability. Thermodynamic studies of oligomeric proteins, the dominant protein natural form, have been often hampered because irreversible aggregation and/or slow reactions are common. There are no reports on the reversible equilibrium thermal unfolding of proteins composed of (β/α)8 barrel subunits, albeit this "TIM barrel" topology is one of the most abundant and versatile in nature. We studied the eponymous TIM barrel, triosephosphate isomerase (TIM), belonging to five species of different bacterial taxa. All of them were found to be catalytically efficient dimers. The three-dimensional structure of four enzymes was solved at high/medium resolution. Irreversibility and kinetic control were observed in the thermal unfolding of two TIMs, while for the other three the thermal unfolding was found to follow a two-state equilibrium reversible process. Shifts in the global stability curves of these three proteins are related to the organismal temperature range of optimal growth and modulated by variations in maximum stability temperature and in the enthalpy change at that temperature. Reversibility appears to correlate with the low isoelectric point, the absence of a residual structure in the unfolded state, small cavity volume in the native state, low conformational stability and a low melting temperature. Furthermore, the strong coupling between dimer dissociation and monomer unfolding may reduce aggregation and favour reversibility. It is therefore very thought-provoking to find that a common topological ensemble, such as the TIM barrel, can unfold/refold in the Anfinsen way, i.e. without the help of the cellular machinery.

  11. Equilibrium unfolding of A. niger RNase: pH dependence of chemical and thermal denaturation.

    Science.gov (United States)

    Kumar, Gundampati Ravi; Sharma, Anurag; Kumari, Moni; Jagannadham, Medicherla V; Debnath, Mira

    2011-08-01

    Equilibrium unfolding of A. niger RNase with chemical denaturants, for example GuHCl and urea, and thermal unfolding have been studied as a function of pH using fluorescence, far-UV, near-UV, and absorbance spectroscopy. Because of their ability to affect electrostatic interactions, pH and chemical denaturants have a marked effect on the stability, structure, and function of many globular proteins. ANS binding studies have been conducted to enable understanding of the folding mechanism of the protein in the presence of the denaturants. Spectroscopic studies by absorbance, fluorescence, and circular dichroism and use of K2D software revealed that the enzyme has α + β type secondary structure with approximately 29% α-helix, 24% β-sheet, and 47% random coil. Under neutral conditions the enzyme is stable in urea whereas GuHCl-induced equilibrium unfolding was cooperative. A. niger RNase has little ANS binding even under neutral conditions. Multiple intermediates were populated during the pH-induced unfolding of A. niger RNase. Urea and temperature-induced unfolding of A. niger RNase into the molten globule-like state is non-cooperative, in contrast to the cooperativity seen with the native protein, suggesting the presence of two parts/domains, in the molecular structure of A. niger RNase, with different stability that unfolds in steps. Interestingly, the GuHCl-induced unfolding of the A state (molten globule state) of A. niger RNase is unique, because a low concentration of denaturant not only induces structural change but also facilitates transition from one molten globule like state (A(MG1)) into another (I(MG2)).

  12. Thermal, chemical and pH induced unfolding of turmeric root lectin: modes of denaturation.

    Directory of Open Access Journals (Sweden)

    Himadri Biswas

    Full Text Available Curcuma longa rhizome lectin, of non-seed origin having antifungal, antibacterial and α-glucosidase inhibitory activities, forms a homodimer with high thermal stability as well as acid tolerance. Size exclusion chromatography and dynamic light scattering show it to be a dimer at pH 7, but it converts to a monomer near pH 2. Circular dichroism spectra and fluorescence emission maxima are virtually indistinguishable from pH 7 to 2, indicating secondary and tertiary structures remain the same in dimer and monomer within experimental error. The tryptophan environment as probed by acrylamide quenching data yielded very similar data at pH 2 and pH 7, implying very similar folding for monomer and dimer. Differential scanning calorimetry shows a transition at 350.3 K for dimer and at 327.0 K for monomer. Thermal unfolding and chemical unfolding induced by guanidinium chloride for dimer are both reversible and can be described by two-state models. The temperatures and the denaturant concentrations at which one-half of the protein molecules are unfolded, are protein concentration-dependent for dimer but protein concentration-independent for monomer. The free energy of unfolding at 298 K was found to be 5.23 Kcal mol-1 and 14.90 Kcal mol-1 for the monomer and dimer respectively. The value of change in excess heat capacity upon protein denaturation (ΔCp is 3.42 Kcal mol-1 K-1 for dimer. The small ΔCp for unfolding of CLA reflects a buried hydrophobic core in the folded dimeric protein. These unfolding experiments, temperature dependent circular dichroism and dynamic light scattering for the dimer at pH 7 indicate its higher stability than for the monomer at pH 2. This difference in stability of dimeric and monomeric forms highlights the contribution of inter-subunit interactions in the former.

  13. TFE-induced local unfolding and fibrillation of SOD1: bridging the experiment and simulation studies.

    Science.gov (United States)

    Kumar, Vijay; Prakash, Amresh; Pandey, Preeti; Lynn, Andrew M; Hassan, Md Imtaiyaz

    2018-05-18

    Misfolding and aggregation of Cu, Zn Superoxide dismutase (SOD1) is involved in the neurodegenerative disease, amyotrophic lateral sclerosis. Many studies have shown that metal-depleted, monomeric form of SOD1 displays substantial local unfolding dynamics and is the precursor for aggregation. Here, we have studied the structure and dynamics of different apo monomeric SOD1 variants associated with unfolding and aggregation in aqueous trifluoroethanol (TFE) through experiments and simulation. TFE induces partially unfolded β-sheet-rich extended conformations in these SOD1 variants, which subsequently develops aggregates with fibril-like characteristics. Fibrillation was achieved more easily in disulfide-reduced monomeric SOD1 when compared with wild-type and mutant monomeric SOD1. At higher concentrations of TFE, a native-like structure with the increase in α-helical content was observed. The molecular dynamics simulation results illustrate distinct structural dynamics for different regions of SOD1 variants and show uniform local unfolding of β-strands. The strands protected by the zinc-binding and electrostatic loops were found to unfold first in 20% (v/v) TFE, leading to a partial unfolding of β-strands 4, 5, and 6 which are prone to aggregation. Our results thus shed light on the role of local unfolding and conformational dynamics in SOD1 misfolding and aggregation. © 2018 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

  14. Dynamic coarse-graining fills the gap between atomistic simulations and experimental investigations of mechanical unfolding

    Science.gov (United States)

    Knoch, Fabian; Schäfer, Ken; Diezemann, Gregor; Speck, Thomas

    2018-01-01

    We present a dynamic coarse-graining technique that allows one to simulate the mechanical unfolding of biomolecules or molecular complexes on experimentally relevant time scales. It is based on Markov state models (MSMs), which we construct from molecular dynamics simulations using the pulling coordinate as an order parameter. We obtain a sequence of MSMs as a function of the discretized pulling coordinate, and the pulling process is modeled by switching among the MSMs according to the protocol applied to unfold the complex. This way we cover seven orders of magnitude in pulling speed. In the region of rapid pulling, we additionally perform steered molecular dynamics simulations and find excellent agreement between the results of the fully atomistic and the dynamically coarse-grained simulations. Our technique allows the determination of the rates of mechanical unfolding in a dynamical range from approximately 10-8/ns to 1/ns thus reaching experimentally accessible time regimes without abandoning atomistic resolution.

  15. Thick-foils activation technique for neutron spectrum unfolding with the MINUIT routine-Comparison with GEANT4 simulations

    Science.gov (United States)

    Vagena, E.; Theodorou, K.; Stoulos, S.

    2018-04-01

    Neutron activation technique has been applied using a proposed set of twelve thick metal foils (Au, As, Cd, In, Ir, Er, Mn, Ni, Se, Sm, W, Zn) for off-site measurements to obtain the neutron spectrum over a wide energy range (from thermal up to a few MeV) in intense neutron-gamma mixed fields such as around medical Linacs. The unfolding procedure takes into account the activation rates measured using thirteen (n , γ) and two (n , p) reactions without imposing a guess solution-spectrum. The MINUIT minimization routine unfolds a neutron spectrum that is dominated by fast neutrons (70%) peaking at 0.3 MeV, while the thermal peak corresponds to the 15% of the total neutron fluence equal to the epithermal-resonances area. The comparison of the unfolded neutron spectrum against the simulated one with the GEANT4 Monte-Carlo code shows a reasonable agreement within the measurement uncertainties. Therefore, the proposed set of activation thick-foils could be a useful tool in order to determine low flux neutrons spectrum in intense mixed field.

  16. Unfolding mechanism of thrombin-binding aptamer revealed by molecular dynamics simulation and Markov State Model.

    Science.gov (United States)

    Zeng, Xiaojun; Zhang, Liyun; Xiao, Xiuchan; Jiang, Yuanyuan; Guo, Yanzhi; Yu, Xinyan; Pu, Xuemei; Li, Menglong

    2016-04-05

    Thrombin-binding aptamer (TBA) with the sequence 5'GGTTGGTGTGGTTGG3' could fold into G-quadruplex, which correlates with functionally important genomic regionsis. However, unfolding mechanism involved in the structural stability of G-quadruplex has not been satisfactorily elucidated on experiments so far. Herein, we studied the unfolding pathway of TBA by a combination of molecular dynamics simulation (MD) and Markov State Model (MSM). Our results revealed that the unfolding of TBA is not a simple two-state process but proceeds along multiple pathways with multistate intermediates. One high flux confirms some observations from NMR experiment. Another high flux exhibits a different and simpler unfolding pathway with less intermediates. Two important intermediate states were identified. One is similar to the G-triplex reported in the folding of G-quadruplex, but lack of H-bonding between guanines in the upper plane. More importantly, another intermediate state acting as a connector to link the folding region and the unfolding one, was the first time identified, which exhibits higher population and stability than the G-triplex-like intermediate. These results will provide valuable information for extending our understanding the folding landscape of G-quadruplex formation.

  17. Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage mini protein

    Science.gov (United States)

    Day, Ryan; Paschek, Dietmar; Garcia, Angel E.

    2012-01-01

    We study the unbiased folding/unfolding thermodynamics of the Trp-cage miniprotein using detailed molecular dynamics simulations of an all-atom model of the protein in explicit solvent, using the Amberff99SB force field. Replica-exchange molecular dynamics (REMD) simulations are used to sample the protein ensembles over a broad range of temperatures covering the folded and unfolded states, and at two densities. The obtained ensembles are shown to reach equilibrium in the 1 μs per replica timescale. The total simulation time employed in the calculations exceeds 100 μs. Ensemble averages of the fraction folded, pressure, and energy differences between the folded and unfolded states as a function of temperature are used to model the free energy of the folding transition, ΔG(P,T), over the whole region of temperature and pressures sampled in the simulations. The ΔG(P,T) diagram describes an ellipse over the range of temperatures and pressures sampled, predicting that the system can undergo pressure induced unfolding and cold denaturation at low temperatures and high pressures, and unfolding at low pressures and high temperatures. The calculated free energy function exhibits remarkably good agreement with the experimental folding transition temperature (Tf = 321 K), free energy and specific heat changes. However, changes in enthalpy and entropy are significantly different than the experimental values. We speculate that these differences may be due to the simplicity of the semi-empirical force field used in the simulations and that more elaborate force fields may be required to describe appropriately the thermodynamics of proteins. PMID:20408169

  18. Casting thermal simulation

    International Nuclear Information System (INIS)

    Shamsuddin bin Sulaiman

    1994-01-01

    The whole of this study is concerned with process simulation in casting processes. This study describes the application of the finite element method as an aid to simulating the thermal design of a high pressure die casting die by analysing the cooling transients in the casting cycle. Two types of investigation were carried out to model the linear and non-linear cooling behavior with consideration of a thermal interface effect. The simulated cooling for different stages were presented in temperature contour form. These illustrate the successful application of the Finite Element Method to model the process and they illustrate the significance of the thermal interface at low pressure

  19. Neutron spectrum unfolding using genetic algorithm in a Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Suman, Vitisha [Health Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Sarkar, P.K., E-mail: pksarkar02@gmail.com [Manipal Centre for Natural Sciences, Manipal University, Manipal 576104 (India)

    2014-02-11

    A spectrum unfolding technique GAMCD (Genetic Algorithm and Monte Carlo based spectrum Deconvolution) has been developed using the genetic algorithm methodology within the framework of Monte Carlo simulations. Each Monte Carlo history starts with initial solution vectors (population) as randomly generated points in the hyper dimensional solution space that are related to the measured data by the response matrix of the detection system. The transition of the solution points in the solution space from one generation to another are governed by the genetic algorithm methodology using the techniques of cross-over (mating) and mutation in a probabilistic manner adding new solution points to the population. The population size is kept constant by discarding solutions having lesser fitness values (larger differences between measured and calculated results). Solutions having the highest fitness value at the end of each Monte Carlo history are averaged over all histories to obtain the final spectral solution. The present method shows promising results in neutron spectrum unfolding for both under-determined and over-determined problems with simulated test data as well as measured data when compared with some existing unfolding codes. An attractive advantage of the present method is the independence of the final spectra from the initial guess spectra.

  20. Neutron spectrum unfolding using genetic algorithm in a Monte Carlo simulation

    International Nuclear Information System (INIS)

    Suman, Vitisha; Sarkar, P.K.

    2014-01-01

    A spectrum unfolding technique GAMCD (Genetic Algorithm and Monte Carlo based spectrum Deconvolution) has been developed using the genetic algorithm methodology within the framework of Monte Carlo simulations. Each Monte Carlo history starts with initial solution vectors (population) as randomly generated points in the hyper dimensional solution space that are related to the measured data by the response matrix of the detection system. The transition of the solution points in the solution space from one generation to another are governed by the genetic algorithm methodology using the techniques of cross-over (mating) and mutation in a probabilistic manner adding new solution points to the population. The population size is kept constant by discarding solutions having lesser fitness values (larger differences between measured and calculated results). Solutions having the highest fitness value at the end of each Monte Carlo history are averaged over all histories to obtain the final spectral solution. The present method shows promising results in neutron spectrum unfolding for both under-determined and over-determined problems with simulated test data as well as measured data when compared with some existing unfolding codes. An attractive advantage of the present method is the independence of the final spectra from the initial guess spectra

  1. Simulation study on unfolding methods for diagnostic X-rays and mixed gamma rays

    International Nuclear Information System (INIS)

    Hashimoto, Makoto; Ohtaka, Masahiko; Ara, Kuniaki; Kanno, Ikuo; Imamura, Ryo; Mikami, Kenta; Nomiya, Seiichiro; Onabe, Hideaki

    2009-01-01

    A photon detector operating in current mode that can sense X-ray energy distribution has been reported. This detector consists of a row of several segment detectors. The energy distribution is derived using an unfolding technique. In this paper, comparisons of the unfolding techniques among error reduction, spectrum surveillance, and neural network methods are discussed through simulation studies on the detection of diagnostic X-rays and gamma rays emitted by a mixture of 137 Cs and 60 Co. For diagnostic X-ray measurement, the spectrum surveillance and neural network methods appeared promising, while the error reduction method yielded poor results. However, in the case of measuring mixtures of gamma rays, the error reduction method was both sufficient and effective. (author)

  2. The secondary structure and the thermal unfolding parameters of the S-layer protein from Lactobacillus salivarius.

    Science.gov (United States)

    Lighezan, Liliana; Georgieva, Ralitsa; Neagu, Adrian

    2016-09-01

    Surface layer (S-layer) proteins have been identified in the cell envelope of many organisms, such as bacteria and archaea. They self-assemble, forming monomolecular crystalline arrays. Isolated S-layer proteins are able to recrystallize into regular lattices, which proved useful in biotechnology. Here we investigate the structure and thermal unfolding of the S-layer protein isolated from Lactobacillus salivarius 16 strain of human origin. Using circular dichroism (CD) spectroscopy, and the software CDSSTR from DICHROWEB, CONTINLL from CDPro, as well as CDNN, we assess the fractions of the protein's secondary structural elements at temperatures ranging between 10 and 90 °C, and predict the tertiary class of the protein. To study the thermal unfolding of the protein, we analyze the temperature dependence of the CD signal in the far- and near-UV domains. Fitting the experimental data by two- and three-state models of thermal unfolding, we infer the midpoint temperatures, the temperature dependence of the changes in Gibbs free energy, enthalpy, and entropy of the unfolding transitions in standard conditions, and the temperature dependence of the equilibrium constant. We also estimate the changes in heat capacity at constant pressure in standard conditions. The results indicate that the thermal unfolding of the S-layer protein from L. salivarius is highly cooperative, since changes in the secondary and tertiary structures occur simultaneously. The thermodynamic analysis predicts a "cold" transition, at about -3 °C, of both the secondary and tertiary structures. Our findings may be important for the use of S-layer proteins in biotechnology and in biomedical applications.

  3. Unfolding neutron spectra from simulated response of thermoluminescence dosimeters inside a polyethylene sphere using GRNN neural network

    Science.gov (United States)

    Lotfalizadeh, F.; Faghihi, R.; Bahadorzadeh, B.; Sina, S.

    2017-07-01

    Neutron spectrometry using a single-sphere containing dosimeters has been developed recently, as an effective replacement for Bonner sphere spectrometry. The aim of this study is unfolding the neutron energy spectra using GRNN artificial neural network, from the response of thermoluminescence dosimeters, TLDs, located inside a polyethylene sphere. The spectrometer was simulated using MCNP5. TLD-600 and TLD-700 dosimeters were simulated at different positions in all directions. Then the GRNN was used for neutron spectra prediction, using the TLDs' readings. Comparison of spectra predicted by the network with the real spectra, show that the single-sphere dosimeter is an effective instrument in unfolding neutron spectra.

  4. Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: on the structure and possible role of internal water.

    Science.gov (United States)

    Paschek, Dietmar; Nymeyer, Hugh; García, Angel E

    2007-03-01

    We simulate the folding/unfolding equilibrium of the 20-residue miniprotein Trp-cage. We use replica exchange molecular dynamics simulations of the AMBER94 atomic detail model of the protein explicitly solvated by water, starting from a completely unfolded configuration. We employ a total of 40 replicas, covering the temperature range between 280 and 538 K. Individual simulation lengths of 100 ns sum up to a total simulation time of about 4 micros. Without any bias, we observe the folding of the protein into the native state with an unfolding-transition temperature of about 440 K. The native state is characterized by a distribution of root mean square distances (RMSD) from the NMR data that peaks at 1.8A, and is as low as 0.4A. We show that equilibration times of about 40 ns are required to yield convergence. A folded configuration in the entire extended ensemble is found to have a lifetime of about 31 ns. In a clamp-like motion, the Trp-cage opens up during thermal denaturation. In line with fluorescence quenching experiments, the Trp-residue sidechain gets hydrated when the protein opens up, roughly doubling the number of water molecules in the first solvation shell. We find the helical propensity of the helical domain of Trp-cage rather well preserved even at very high temperatures. In the folded state, we can identify states with one and two buried internal water molecules interconnecting parts of the Trp-cage molecule by hydrogen bonds. The loss of hydrogen bonds of these buried water molecules in the folded state with increasing temperature is likely to destabilize the folded state at elevated temperatures.

  5. Spectroscopic and MD simulation studies on unfolding processes of mitochondrial carbonic anhydrase VA induced by urea.

    Science.gov (United States)

    Idrees, Danish; Prakash, Amresh; Haque, Md Anzarul; Islam, Asimul; Ahmad, Faizan; Hassan, Md Imtaiyaz

    2016-09-01

    Carbonic anhydrase VA (CAVA) is primarily expressed in the mitochondria and involved in numerous physiological processes including lipogenesis, insulin secretion from pancreatic cells, ureagenesis, gluconeogenesis and neuronal transmission. To understand the biophysical properties of CAVA, we carried out a reversible urea-induced isothermal denaturation at pH 7.0 and 25°C. Spectroscopic probes, [θ]222 (mean residue ellipticity at 222 nm), F344 (Trp-fluorescence emission intensity at 344 nm) and Δε280 (difference absorption at 280 nm) were used to monitor the effect of urea on the structure and stability of CAVA. The urea-induced reversible denaturation curves were used to estimate [Formula: see text], Gibbs free energy in the absence of urea; Cm, the mid-point of the denaturation curve, i.e. molar urea concentration ([urea]) at which ΔGD = 0; and m, the slope (=∂ΔGD/∂[urea]). Coincidence of normalized transition curves of all optical properties suggests that unfolding/refolding of CAVA is a two-state process. We further performed 40 ns molecular dynamics simulation of CAVA to see the dynamics at different urea concentrations. An excellent agreement was observed between in silico and in vitro studies.

  6. Probing the folded state and mechanical unfolding pathways of T4 lysozyme using all-atom and coarse-grained molecular simulation

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Wenjun, E-mail: wjzheng@buffalo.edu; Glenn, Paul [Department of Physics, University at Buffalo, Buffalo, New York 14260 (United States)

    2015-01-21

    The Bacteriophage T4 Lysozyme (T4L) is a prototype modular protein comprised of an N-terminal and a C-domain domain, which was extensively studied to understand the folding/unfolding mechanism of modular proteins. To offer detailed structural and dynamic insights to the folded-state stability and the mechanical unfolding behaviors of T4L, we have performed extensive equilibrium and steered molecular dynamics simulations of both the wild-type (WT) and a circular permutation (CP) variant of T4L using all-atom and coarse-grained force fields. Our all-atom and coarse-grained simulations of the folded state have consistently found greater stability of the C-domain than the N-domain in isolation, which is in agreement with past thermostatic studies of T4L. While the all-atom simulation cannot fully explain the mechanical unfolding behaviors of the WT and the CP variant observed in an optical tweezers study, the coarse-grained simulations based on the Go model or a modified elastic network model (mENM) are in qualitative agreement with the experimental finding of greater unfolding cooperativity in the WT than the CP variant. Interestingly, the two coarse-grained models predict different structural mechanisms for the observed change in cooperativity between the WT and the CP variant—while the Go model predicts minor modification of the unfolding pathways by circular permutation (i.e., preserving the general order that the N-domain unfolds before the C-domain), the mENM predicts a dramatic change in unfolding pathways (e.g., different order of N/C-domain unfolding in the WT and the CP variant). Based on our simulations, we have analyzed the limitations of and the key differences between these models and offered testable predictions for future experiments to resolve the structural mechanism for cooperative folding/unfolding of T4L.

  7. Conformational fluctuation dynamics of domain I of human serum albumin in the course of chemically and thermally induced unfolding using fluorescence correlation spectroscopy.

    Science.gov (United States)

    Yadav, Rajeev; Sengupta, Bhaswati; Sen, Pratik

    2014-05-22

    The present study elucidates the involvement of conformational fluctuation dynamics during chemically and thermally induced unfolding of human serum albumin (HSA) by fluorescence correlation spectroscopic (FCS) study, time-resolved fluorescence measurements, and circular dichroism (CD) spectroscopic methods. Two fluorescent probes, tetramethylrhodamine-5-maleimide (TMR) and N-(7-dimethylamino-4-methylcoumarin-3-yl) iodoacetamide (DACIA) were used to selectively label the domain I of HSA through the reaction with cys-34 for these studies. The guanidine hydrochloride (GnHCl) induced global structural change of HSA is monitored through its hydrodynamic radius (r(H)) and CD response, which is found to be two step in nature. In FCS experiment, along with the diffusion time component we have observed an exponential relaxation time component (τ(R)) that has been ascribed to the concerted chain dynamics of HSA. Unlike in the global structural change, we found that the τ(R) value changes in a different manner in the course of the unfolding. The dependence of τ(R) on the concentration of GnHCl was best fitted with a four state model, indicating the involvement of two intermediate states during the unfolding process, which were not observed through the CD response and r(H) data. The fluorescence lifetime measurement also supports our observation of intermediate states during the unfolding of HSA. However, no such intermediate states were observed during thermally induced unfolding of HSA.

  8. High-Temperature unfolding of a trp-Cage mini-protein: a molecular dynamics simulation study

    Directory of Open Access Journals (Sweden)

    Seshasayee Aswin Sai Narain

    2005-03-01

    Full Text Available Abstract Background Trp cage is a recently-constructed fast-folding miniprotein. It consists of a short helix, a 3,10 helix and a C-terminal poly-proline that packs against a Trp in the alpha helix. It is known to fold within 4 ns. Results High-temperature unfolding molecular dynamics simulations of the Trp cage miniprotein have been carried out in explicit water using the OPLS-AA force-field incorporated in the program GROMACS. The radius of gyration (Rg and Root Mean Square Deviation (RMSD have been used as order parameters to follow the unfolding process. Distributions of Rg were used to identify ensembles. Conclusion Three ensembles could be identified. While the native-state ensemble shows an Rg distribution that is slightly skewed, the second ensemble, which is presumably the Transition State Ensemble (TSE, shows an excellent fit. The denatured ensemble shows large fluctuations, but a Gaussian curve could be fitted. This means that the unfolding process is two-state. Representative structures from each of these ensembles are presented here.

  9. Investigating the structural origin of trpzip2 temperature dependent unfolding fluorescence line shape based on a Markov state model simulation.

    Science.gov (United States)

    Song, Jian; Gao, Fang; Cui, Raymond Z; Shuang, Feng; Liang, Wanzhen; Huang, Xuhui; Zhuang, Wei

    2012-10-25

    Vibrationally resolved fluorescence spectra of the β-hairpin trpzip2 peptide at two temperatures as well as during a T-jump unfolding process are simulated on the basis of a combination of Markov state models and quantum chemistry schemes. The broad asymmetric spectral line shape feature is reproduced by considering the exciton-phonon couplings. The temperature dependent red shift observed in the experiment has been attributed to the state population changes of specific chromophores. Through further theoretical study, it is found that both the environment's electric field and the chromophores' geometry distortions are responsible for tryptophan fluorescence shift.

  10. Unfolding Participation

    DEFF Research Database (Denmark)

    Saad-Sulonen, Joanna; Halskov, Kim; Eriksson, Eva

    2015-01-01

    The aim of the Unfolding Participation workshop is to outline an agenda for the next 10 years of participatory design (PD) and participatory human computer interaction (HCI) research. We will do that through a double strategy: 1) by critically interrogating the concept of participation (unfolding...... the concept itself), while at the same time, 2) reflecting on the way that participation unfolds across different participatory configurations. We invite researchers and practitioners from PD and HCI and fields in which information technology mediated participation is embedded (e.g. in political studies......, urban planning, participatory arts, business, science and technology studies) to bring a plurality of perspectives and expertise related to participation....

  11. The interrelationship between ligand binding and thermal unfolding of the folate binding protein. The role of self-association and pH

    DEFF Research Database (Denmark)

    Holm, Jan; Babol, Linnea N.; Markova, Natalia

    2014-01-01

    The present study utilized a combination of DLS (dynamic light scattering) and DSC (differential scanning calorimetry) to address thermostability of high-affinity folate binding protein (FBP), a transport protein and cellular receptor for the vitamin folate. At pH7.4 (pI=7-8) ligand binding......, intermolecular forces involved in concentration-dependent multimerization thus contribute to the thermostability of holo-FBP. Hence, thermal unfolding and dissociation of holo-FBP multimers occur simultaneously consistent with a gradual decrease from octameric to monomeric holo-FBP (10μM) in DLS after a step-wise...

  12. Mechanics of collective unfolding

    Science.gov (United States)

    Caruel, M.; Allain, J.-M.; Truskinovsky, L.

    2015-03-01

    Mechanically induced unfolding of passive crosslinkers is a fundamental biological phenomenon encountered across the scales from individual macro-molecules to cytoskeletal actin networks. In this paper we study a conceptual model of athermal load-induced unfolding and use a minimalistic setting allowing one to emphasize the role of long-range interactions while maintaining full analytical transparency. Our model can be viewed as a description of a parallel bundle of N bistable units confined between two shared rigid backbones that are loaded through a series spring. We show that the ground states in this model correspond to synchronized, single phase configurations where all individual units are either folded or unfolded. We then study the fine structure of the wiggly energy landscape along the reaction coordinate linking the two coherent states and describing the optimal mechanism of cooperative unfolding. Quite remarkably, our study shows the fundamental difference in the size and the structure of the folding-unfolding energy barriers in the hard (fixed displacements) and soft (fixed forces) loading devices which persists in the continuum limit. We argue that both, the synchronization and the non-equivalence of the mechanical responses in hard and soft devices, have their origin in the dominance of long-range interactions. We then apply our minimal model to skeletal muscles where the power-stroke in acto-myosin crossbridges can be interpreted as passive folding. A quantitative analysis of the muscle model shows that the relative rigidity of myosin backbone provides the long-range interaction mechanism allowing the system to effectively synchronize the power-stroke in individual crossbridges even in the presence of thermal fluctuations. In view of the prototypical nature of the proposed model, our general conclusions pertain to a variety of other biological systems where elastic interactions are mediated by effective backbones.

  13. Verification of unfold error estimates in the unfold operator code

    International Nuclear Information System (INIS)

    Fehl, D.L.; Biggs, F.

    1997-01-01

    Spectral unfolding is an inverse mathematical operation that attempts to obtain spectral source information from a set of response functions and data measurements. Several unfold algorithms have appeared over the past 30 years; among them is the unfold operator (UFO) code written at Sandia National Laboratories. In addition to an unfolded spectrum, the UFO code also estimates the unfold uncertainty (error) induced by estimated random uncertainties in the data. In UFO the unfold uncertainty is obtained from the error matrix. This built-in estimate has now been compared to error estimates obtained by running the code in a Monte Carlo fashion with prescribed data distributions (Gaussian deviates). In the test problem studied, data were simulated from an arbitrarily chosen blackbody spectrum (10 keV) and a set of overlapping response functions. The data were assumed to have an imprecision of 5% (standard deviation). One hundred random data sets were generated. The built-in estimate of unfold uncertainty agreed with the Monte Carlo estimate to within the statistical resolution of this relatively small sample size (95% confidence level). A possible 10% bias between the two methods was unresolved. The Monte Carlo technique is also useful in underdetermined problems, for which the error matrix method does not apply. UFO has been applied to the diagnosis of low energy x rays emitted by Z-pinch and ion-beam driven hohlraums. copyright 1997 American Institute of Physics

  14. Many channel spectrum unfolding

    International Nuclear Information System (INIS)

    Najzer, M.; Glumac, B.; Pauko, M.

    1980-01-01

    The principle of the ITER unfolding code as used for the many channel spectrum unfolding is described. Its unfolding ability is tested on seven typical neutron spectra. The effect of the initial spectrum approximation upon the solution is discussed

  15. Using lattice tools and unfolding methods for hpge detector efficiency simulation with the Monte Carlo code MCNP5

    International Nuclear Information System (INIS)

    Querol, A.; Gallardo, S.; Ródenas, J.; Verdú, G.

    2015-01-01

    In environmental radioactivity measurements, High Purity Germanium (HPGe) detectors are commonly used due to their excellent resolution. Efficiency calibration of detectors is essential to determine activity of radionuclides. The Monte Carlo method has been proved to be a powerful tool to complement efficiency calculations. In aged detectors, efficiency is partially deteriorated due to the dead layer increasing and consequently, the active volume decreasing. The characterization of the radiation transport in the dead layer is essential for a realistic HPGe simulation. In this work, the MCNP5 code is used to calculate the detector efficiency. The F4MESH tally is used to determine the photon and electron fluence in the dead layer and the active volume. The energy deposited in the Ge has been analyzed using the ⁎F8 tally. The F8 tally is used to obtain spectra and to calculate the detector efficiency. When the photon fluence and the energy deposition in the crystal are known, some unfolding methods can be used to estimate the activity of a given source. In this way, the efficiency is obtained and serves to verify the value obtained by other methods. - Highlights: • The MCNP5 code is used to estimate the dead layer thickness of an HPGe detector. • The F4MESH tally is applied to verify where interactions occur into the Ge crystal. • PHD and the energy deposited are obtained with F8 and ⁎F8 tallies, respectively. • An average dead layer between 70 and 80 µm is obtained for the HPGe studied. • The efficiency is calculated applying the TSVD method to the response matrix.

  16. Molecular dynamics simulation reveals insights into the mechanism of unfolding by the A130T/V mutations within the MID1 zinc-binding Bbox1 domain.

    Directory of Open Access Journals (Sweden)

    Yunjie Zhao

    Full Text Available The zinc-binding Bbox1 domain in protein MID1, a member of the TRIM family of proteins, facilitates the ubiquitination of the catalytic subunit of protein phosphatase 2A and alpha4, a protein regulator of PP2A. The natural mutation of residue A130 to a valine or threonine disrupts substrate recognition and catalysis. While NMR data revealed the A130T mutant Bbox1 domain failed to coordinate both structurally essential zinc ions and resulted in an unfolded structure, the unfolding mechanism is unknown. Principle component analysis revealed that residue A130 served as a hinge point between the structured β-strand-turn-β-strand (β-turn-β and the lasso-like loop sub-structures that constitute loop1 of the ββα-RING fold that the Bbox1 domain adopts. Backbone RMSD data indicate significant flexibility and departure from the native structure within the first 5 ns of the molecular dynamics (MD simulation for the A130V mutant (>6 Å and after 30 ns for A130T mutant (>6 Å. Overall RMSF values were higher for the mutant structures and showed increased flexibility around residues 125 and 155, regions with zinc-coordinating residues. Simulated pKa values of the sulfhydryl group of C142 located near A130 suggested an increased in value to ~9.0, paralleling the increase in the apparent dielectric constants for the small cavity near residue A130. Protonation of the sulfhydryl group would disrupt zinc-coordination, directly contributing to unfolding of the Bbox1. Together, the increased motion of residues of loop 1, which contains four of the six zinc-binding cysteine residues, and the increased pKa of C142 could destabilize the structure of the zinc-coordinating residues and contribute to the unfolding.

  17. Desorption of Lipases Immobilized on Octyl-Agarose Beads and Coated with Ionic Polymers after Thermal Inactivation. Stronger Adsorption of Polymers/Unfolded Protein Composites

    Directory of Open Access Journals (Sweden)

    Jose J. Virgen-Ortíz

    2017-01-01

    Full Text Available Lipases from Candida antarctica (isoform B and Rhizomucor miehei (CALB and RML have been immobilized on octyl-agarose (OC and further coated with polyethylenimine (PEI and dextran sulfate (DS. The enzymes just immobilized on OC supports could be easily released from the support using 2% SDS at pH 7, both intact or after thermal inactivation (in fact, after inactivation most enzyme molecules were already desorbed. The coating with PEI and DS greatly reduced the enzyme release during thermal inactivation and improved enzyme stability. However, using OC-CALB/RML-PEI-DS, the full release of the immobilized enzyme to reuse the support required more drastic conditions: a pH value of 3, a buffer concentration over 2 M, and temperatures above 45 °C. However, even these conditions were not able to fully release the thermally inactivated enzyme molecules from the support, being necessary to increase the buffer concentration to 4 M sodium phosphate and decrease the pH to 2.5. The formation of unfolded protein/polymers composites seems to be responsible for this strong interaction between the octyl and some anionic groups of OC supports. The support could be reused five cycles using these conditions with similar loading capacity of the support and stability of the immobilized enzyme.

  18. Simulation-based optimization of thermal systems

    International Nuclear Information System (INIS)

    Jaluria, Yogesh

    2009-01-01

    This paper considers the design and optimization of thermal systems on the basis of the mathematical and numerical modeling of the system. Many complexities are often encountered in practical thermal processes and systems, making the modeling challenging and involved. These include property variations, complicated regions, combined transport mechanisms, chemical reactions, and intricate boundary conditions. The paper briefly presents approaches that may be used to accurately simulate these systems. Validation of the numerical model is a particularly critical aspect and is discussed. It is important to couple the modeling with the system performance, design, control and optimization. This aspect, which has often been ignored in the literature, is considered in this paper. Design of thermal systems based on concurrent simulation and experimentation is also discussed in terms of dynamic data-driven optimization methods. Optimization of the system and of the operating conditions is needed to minimize costs and improve product quality and system performance. Different optimization strategies that are currently used for thermal systems are outlined, focusing on new and emerging strategies. Of particular interest is multi-objective optimization, since most thermal systems involve several important objective functions, such as heat transfer rate and pressure in electronic cooling systems. A few practical thermal systems are considered in greater detail to illustrate these approaches and to present typical simulation, design and optimization results

  19. Computer simulation of thermal plant operations

    CERN Document Server

    O'Kelly, Peter

    2012-01-01

    This book describes thermal plant simulation, that is, dynamic simulation of plants which produce, exchange and otherwise utilize heat as their working medium. Directed at chemical, mechanical and control engineers involved with operations, control and optimization and operator training, the book gives the mathematical formulation and use of simulation models of the equipment and systems typically found in these industries. The author has adopted a fundamental approach to the subject. The initial chapters provide an overview of simulation concepts and describe a suitable computer environment.

  20. D19S Mutation of the Cationic, Cysteine-Rich Protein PAF: Novel Insights into Its Structural Dynamics, Thermal Unfolding and Antifungal Function.

    Directory of Open Access Journals (Sweden)

    Christoph Sonderegger

    Full Text Available The cysteine-rich, cationic, antifungal protein PAF is abundantly secreted into the culture supernatant of the filamentous Ascomycete Penicillium chrysogenum. The five β-strands of PAF form a compact β-barrel that is stabilized by three disulphide bonds. The folding of PAF allows the formation of four surface-exposed loops and distinct charged motifs on the protein surface that might regulate the interaction of PAF with the sensitive target fungus. The growth inhibitory activity of this highly stable protein against opportunistic fungal pathogens provides great potential in antifungal drug research. To understand its mode of action, we started to investigate the surface-exposed loops of PAF and replaced one aspartic acid at position 19 in loop 2 that is potentially involved in PAF active or binding site, with a serine (Asp19 to Ser19. We analysed the overall effects, such as unfolding, electrostatic changes, sporadic conformers and antifungal activity when substituting this specific amino acid to the fairly indifferent amino acid serine. Structural analyses revealed that the overall 3D solution structure is virtually identical with that of PAF. However, PAFD19S showed slightly increased dynamics and significant differences in the surface charge distribution. Thermal unfolding identified PAFD19S to be rather a two-state folder in contrast to the three-state folder PAF. Functional comparison of PAFD19S and PAF revealed that the exchange at residue 19 caused a dramatic loss of antifungal activity: the binding and internalization of PAFD19S by target cells was reduced and the protein failed to trigger an intracellular Ca2+ response, all of which are closely linked to the antifungal toxicity of PAF. We conclude that the negatively charged residue Asp19 in loop 2 is essential for full function of the cationic protein PAF.

  1. Thermal simulation of the magnesium thermal of metallic uranium reduction

    International Nuclear Information System (INIS)

    Borges, W.A.; Saliba-Silva, A.M.

    2008-01-01

    Metallic uranium production is vital to fabricate fuel elements for nuclear research reactors and to produce radioisotopes and radiopharmaceuticals. Metallic uranium is got via magnesiothermal reduction of UF 4 . This reaction is carried out inside a closed graphite crucible inserted in a metallic reactor adequately sealed without any outside contact. The assembled set is gradually heated up inside a pit furnace up to reach the reaction ignition temperature (between 600-650 deg C). The optimization of the reactive system depends on the mathematical modeling using simulation by finite elements and computational calculation with specialized programs. In this way, the reactants' thermal behavior is forecast until they reach the ignition temperature. The optimization of the uranium production reaction is based on minimization of thermal losses using better the exo thermal reaction heat. As lower the thermal losses, as higher would be the heat amount to raise the temperature of reaction products. This promotes the adequate melting of uranium and slag, so allowing better metal/slag separation with higher metallic yield. This work shows how the mathematical simulation is made and supplies some preliminary results. (author)

  2. Quantification of Uncertainty in Thermal Building Simulation

    DEFF Research Database (Denmark)

    Brohus, Henrik; Haghighat, F.; Frier, Christian

    In order to quantify uncertainty in thermal building simulation stochastic modelling is applied on a building model. An application of stochastic differential equations is presented in Part 1 comprising a general heat balance for an arbitrary number of loads and zones in a building to determine...

  3. Thermal simulation and validation of 8W LED lamp

    NARCIS (Netherlands)

    Jakovenko, J.; Werkhoven, R.J.; Formánek, J.; Kunen, J.M.G.; Bolt, P.J.; Kulha, P.

    2011-01-01

    This work deals with thermal simulation and characterization of solid state lightening (SSL) LED Lamp in order to get precise 3D thermal models for further lamp thermal optimization. Simulations are performed with ANSYS-CFX and CoventorWare software tools. The simulated thermal distribution has been

  4. Cooperative unfolding of apolipoprotein A-1 induced by chemical denaturation.

    Science.gov (United States)

    Eckhardt, D; Li-Blatter, X; Schönfeld, H-J; Heerklotz, H; Seelig, J

    2018-05-25

    Apolipoprotein A-1 (Apo A-1) plays an important role in lipid transfer and obesity. Chemical unfolding of α-helical Apo A-1 is induced with guanidineHCl and monitored with differential scanning calorimetry (DSC) and CD spectroscopy. The unfolding enthalpy and the midpoint temperature of unfolding decrease linearly with increasing guanidineHCl concentration, caused by the weak binding of denaturant. At room temperature, binding of 50-60 molecules guanidineHCl leads to a complete Apo A-1 unfolding. The entropy of unfolding decreases to a lesser extent than the unfolding enthalpy. Apo A-1 chemical unfolding is a dynamic multi-state equilibrium that is analysed with the Zimm-Bragg theory modified for chemical unfolding. The chemical Zimm-Bragg theory predicts the denaturant binding constant K D and the protein cooperativity σ. Chemical unfolding of Apo A-1 is two orders of magnitude less cooperative than thermal unfolding. The free energy of thermal unfolding is ~0.2 kcal/mol per amino acid residue and ~1.0 kcal/mol for chemical unfolding at room temperature. The Zimm-Bragg theory calculates conformational probabilities and the chemical Zimm-Bragg theory predicts stretches of α-helical segments in dynamic equilibrium, unfolding and refolding independently and fast. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  5. Simulation of Thermal Transients using CSMP

    International Nuclear Information System (INIS)

    Konuk, A.A.

    1981-01-01

    A mathematical model has been developed to simulate thermal transientes for the Hellum Loop of the 'Instituto de Pesquisas Energeticas e Nuleares', Sao Paulo. The model is based on the energy equation applied to the various components of the loop. The non-linear system of first order ordinary differential equation and algebraic equations has been solved using IBM'S 'System/360-Continuous System Modeling Program-CSMP'. The model has been tested satisfactory with experimental results. (Author) [pt

  6. Experience with using unfolding procedures in ATLAS

    CERN Document Server

    Biondi, Silvia; The ATLAS collaboration

    2016-01-01

    In ATLAS, several unfolding methods are used to correct experimental measurements for detector effects, like acceptance and resolution. These methods use as input the raw experimental distributions, as well as Monte Carlo simulation for the description of the detector effects. The systematic uncertainties associated to the various unfolding methods are evaluated. The statistical and systematic uncertainties affecting the raw measurements and/or the simulation are propagated through the unfolding procedure. The resulting corrected measurements with their uncertainties can be directly compared with the corresponding theoretical predictions.

  7. Experience with using unfolding procedures in ATLAS

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00407321; The ATLAS collaboration

    2016-01-01

    In the ATLAS experiment, several unfolding methods are used to correct experimental measurements for detector effects, like acceptance and resolution. These methods use as input the raw experimental distributions, as well as Monte Carlo simulation for the description of the detector effects. The systematic uncertainties associated to the various unfolding methods are evaluated. The statistical and systematic uncertainties affecting the raw measurements and/or the simulation are propagated through the unfolding procedure. The resulting corrected measurements with their uncertainties can be directly compared with the corresponding theoretical predictions.

  8. Nuclear Thermal Rocket Element Environmental Simulator (NTREES)

    International Nuclear Information System (INIS)

    Emrich, William J. Jr.

    2008-01-01

    To support a potential future development of a nuclear thermal rocket engine, a state-of-the-art non nuclear experimental test setup has been constructed to evaluate the performance characteristics of candidate fuel element materials and geometries in representative environments. The test device simulates the environmental conditions (minus the radiation) to which nuclear rocket fuel components could be subjected during reactor operation. Test articles mounted in the simulator are inductively heated in such a manner as to accurately reproduce the temperatures and heat fluxes normally expected to occur as a result of nuclear fission while at the same time being exposed to flowing hydrogen. This project is referred to as the Nuclear Thermal Rocket Element Environment Simulator or NTREES. The NTREES device is located at the Marshall Space flight Center in a laboratory which has been modified to accommodate the high powers required to heat the test articles to the required temperatures and to handle the gaseous hydrogen flow required for the tests. Other modifications to the laboratory include the installation of a nitrogen gas supply system and a cooling water supply system. During the design and construction of the facility, every effort was made to comply with all pertinent regulations to provide assurance that the facility could be operated in a safe and efficient manner. The NTREES system can currently supply up to 50 kW of inductive heating to the fuel test articles, although the facility has been sized to eventually allow test article heating levels of up to several megawatts

  9. Insights into the folding and unfolding processes of wild-type and mutated SH3 domain by molecular dynamics and replica exchange molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Wen-Ting Chu

    Full Text Available Src-homology regions 3 (SH3 domain is essential for the down-regulation of tyrosine kinase activity. Mutation A39V/N53P/V55L of SH3 is found to be relative to the urgent misfolding diseases. To gain insight, the human and gallus SH3 domains (PDB ID: 1NYG and 2LP5, including 58 amino acids in each protein, were selected for MD simulations (Amber11, ff99SB force field and cluster analysis to investigate the influence of mutations on the spatial structure of the SH3 domain. It is found that the large conformational change of mutations mainly exists in three areas in the vicinity of protein core: RT loop, N-src loop, distal β-hairpin to 310 helix. The C-terminus of the mutated gallus SH3 is disordered after simulation, which represents the intermediate state of aggregation. The disappeared strong Hbond net in the mutated human and gallus systems will make these mutated proteins looser than the wild-type proteins. Additionally, by performing the REMD simulations on the gallus SH3 domain, the mutated domain is found to have an obvious effect on the unfolding process. These studies will be helpful for further aggregation mechanisms investigations on SH3 family.

  10. Thermal Simulations, Open Boundary Conditions and Switches

    Science.gov (United States)

    Burnier, Yannis; Florio, Adrien; Kaczmarek, Olaf; Mazur, Lukas

    2018-03-01

    SU(N) gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

  11. Thermal Simulations, Open Boundary Conditions and Switches

    Directory of Open Access Journals (Sweden)

    Burnier Yannis

    2018-01-01

    Full Text Available SU(N gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

  12. Atomistic simulation of the coupled adsorption and unfolding of protein GB1 on the polystyrenes nanoparticle surface

    Science.gov (United States)

    Xiao, HuiFang; Huang, Bin; Yao, Ge; Kang, WenBin; Gong, Sheng; Pan, Hai; Cao, Yi; Wang, Jun; Zhang, Jian; Wang, Wei

    2018-03-01

    Understanding the processes of protein adsorption/desorption on nanoparticles' surfaces is important for the development of new nanotechnology involving biomaterials; however, an atomistic resolution picture for these processes and for the simultaneous protein conformational change is missing. Here, we report the adsorption of protein GB1 on a polystyrene nanoparticle surface using atomistic molecular dynamic simulations. Enabled by metadynamics, we explored the relevant phase space and identified three protein states, each involving both the adsorbed and desorbed modes. We also studied the change of the secondary and tertiary structures of GB1 during adsorption and the dominant interactions between the protein and surface in different adsorption stages. The results we obtained from simulation were found to be more adequate and complete than the previous one. We believe the model presented in this paper, in comparison with the previous ones, is a better theoretical model to understand and explain the experimental results.

  13. NMR of unfolded proteins

    Indian Academy of Sciences (India)

    Unknown

    2005-01-03

    Jan 3, 2005 ... covering all the systems, so far discovered.5,7,8,12. With the increasing ... Structural investigations on proteins by NMR are, currently ... rapid analysis of unfolded proteins. ...... and hence help in design of drugs against them.

  14. Recent developments in numerical simulation techniques of thermal recovery processes

    Energy Technology Data Exchange (ETDEWEB)

    Tamim, M. [Bangladesh University of Engineering and Technology, Bangladesh (Bangladesh); Abou-Kassem, J.H. [Chemical and Petroleum Engineering Department, UAE University, Al-Ain 17555 (United Arab Emirates); Farouq Ali, S.M. [University of Alberta, Alberta (Canada)

    2000-05-01

    Numerical simulation of thermal processes (steam flooding, steam stimulation, SAGD, in-situ combustion, electrical heating, etc.) is an integral part of a thermal project design. The general tendency in the last 10 years has been to use commercial simulators. During the last decade, only a few new models have been reported in the literature. More work has been done to modify and refine solutions to existing problems to improve the efficiency of simulators. The paper discusses some of the recent developments in simulation techniques of thermal processes such as grid refinement, grid orientation, effect of temperature on relative permeability, mathematical models, and solution methods. The various aspects of simulation discussed here promote better understanding of the problems encountered in the simulation of thermal processes and will be of value to both simulator users and developers.

  15. Modelling and simulation of thermal power plants

    Energy Technology Data Exchange (ETDEWEB)

    Eborn, J.

    1998-02-01

    Mathematical modelling and simulation are important tools when dealing with engineering systems that today are becoming increasingly more complex. Integrated production and recycling of materials are trends that give rise to heterogenous systems, which are difficult to handle within one area of expertise. Model libraries are an excellent way to package engineering knowledge of systems and units to be reused by those who are not experts in modelling. Many commercial packages provide good model libraries, but they are usually domain-specific and closed. Heterogenous, multi-domain systems requires open model libraries written in general purpose modelling languages. This thesis describes a model database for thermal power plants written in the object-oriented modelling language OMOLA. The models are based on first principles. Subunits describe volumes with pressure and enthalpy dynamics and flows of heat or different media. The subunits are used to build basic units such as pumps, valves and heat exchangers which can be used to build system models. Several applications are described; a heat recovery steam generator, equipment for juice blending, steam generation in a sulphuric acid plant and a condensing steam plate heat exchanger. Model libraries for industrial use must be validated against measured data. The thesis describes how parameter estimation methods can be used for model validation. Results from a case-study on parameter optimization of a non-linear drum boiler model show how the technique can be used 32 refs, 21 figs

  16. Nuclear Thermal Rocket Simulation in NPSS

    Science.gov (United States)

    Belair, Michael L.; Sarmiento, Charles J.; Lavelle, Thomas M.

    2013-01-01

    Four nuclear thermal rocket (NTR) models have been created in the Numerical Propulsion System Simulation (NPSS) framework. The models are divided into two categories. One set is based upon the ZrC-graphite composite fuel element and tie tube-style reactor developed during the Nuclear Engine for Rocket Vehicle Application (NERVA) project in the late 1960s and early 1970s. The other reactor set is based upon a W-UO2 ceramic-metallic (CERMET) fuel element. Within each category, a small and a large thrust engine are modeled. The small engine models utilize RL-10 turbomachinery performance maps and have a thrust of approximately 33.4 kN (7,500 lbf ). The large engine models utilize scaled RL-60 turbomachinery performance maps and have a thrust of approximately 111.2 kN (25,000 lbf ). Power deposition profiles for each reactor were obtained from a detailed Monte Carlo N-Particle (MCNP5) model of the reactor cores. Performance factors such as thermodynamic state points, thrust, specific impulse, reactor power level, and maximum fuel temperature are analyzed for each engine design.

  17. Molecular dynamics simulation of thermal conductivities of superlattice nanowires

    Institute of Scientific and Technical Information of China (English)

    YANG; Juekuan(杨决宽); CHEN; Yunfei(陈云飞); YAN; Jingping(颜景平)

    2003-01-01

    Nonequilibrium molecular dynamics simulations were carried out to investigate heat transfer in superlattice nanowires. Results show that for fixed period length superlattice nanowires, the ratio of the total interfacial thermal resistance to the total thermal resistance and the effective thermal conductivities are invariant with the changes in interface numbers. Increasing the period length leads to an increase in the average interfacial thermal resistance, which indicates that the interfacial thermal resistance depends not only on the materials that constitute the alternating segments of superlattice nanowires, but also on the lattice strain throughout the segments. The modification of the lattice structure due to the lattice mismatch should be taken into account in the acoustic mismatch model. Simulation results also demonstrated the size confinement effect on the thermal conductivities for low dimensional structures, i.e. the thermal conductivities and the interfacial thermal resistance increase as the nanowire cross-sectional area increases.

  18. A Systems Biology Analysis Unfolds the Molecular Pathways and Networks of Two Proteobacteria in Spaceflight and Simulated Microgravity Conditions.

    Science.gov (United States)

    Roy, Raktim; Shilpa, P Phani; Bagh, Sangram

    2016-09-01

    Bacteria are important organisms for space missions due to their increased pathogenesis in microgravity that poses risks to the health of astronauts and for projected synthetic biology applications at the space station. We understand little about the effect, at the molecular systems level, of microgravity on bacteria, despite their significant incidence. In this study, we proposed a systems biology pipeline and performed an analysis on published gene expression data sets from multiple seminal studies on Pseudomonas aeruginosa and Salmonella enterica serovar Typhimurium under spaceflight and simulated microgravity conditions. By applying gene set enrichment analysis on the global gene expression data, we directly identified a large number of new, statistically significant cellular and metabolic pathways involved in response to microgravity. Alteration of metabolic pathways in microgravity has rarely been reported before, whereas in this analysis metabolic pathways are prevalent. Several of those pathways were found to be common across studies and species, indicating a common cellular response in microgravity. We clustered genes based on their expression patterns using consensus non-negative matrix factorization. The genes from different mathematically stable clusters showed protein-protein association networks with distinct biological functions, suggesting the plausible functional or regulatory network motifs in response to microgravity. The newly identified pathways and networks showed connection with increased survival of pathogens within macrophages, virulence, and antibiotic resistance in microgravity. Our work establishes a systems biology pipeline and provides an integrated insight into the effect of microgravity at the molecular systems level. Systems biology-Microgravity-Pathways and networks-Bacteria. Astrobiology 16, 677-689.

  19. Thermal expansion of UO2 and simulated DUPIC fuel

    International Nuclear Information System (INIS)

    Ho Kang, Kweon; Jin Ryu, Ho; Chan Song, Kee; Seung Yang, Myung

    2002-01-01

    The lattice parameters of simulated DUPIC fuel and UO 2 were measured from room temperature to 1273 K using neutron diffraction to investigate the thermal expansion and density variation with temperature. The lattice parameter of simulated DUPIC fuel is lower than that of UO 2 , and the linear thermal expansion of simulated DUPIC fuel is higher than that of UO 2 . For the temperature range from 298 to 1273 K, the average linear thermal expansion coefficients for UO 2 and simulated DUPIC fuel are 10.471x10 -6 and 10.751x10 -6 K -1 , respectively

  20. Thermal expansion study of simulated DUPIC fuel using neutron diffraction

    International Nuclear Information System (INIS)

    Kang, Kweon Ho; Ryu, H. J.; Bae, J. H.; Kim, H. S.; Song, K. C.; Yang, M. S.; Choi, Y. N.; Han, Y. S.; Oh, H. S.

    2001-07-01

    The lattice parameters of simulated DUPIC fuel and UO2 were measured from room temperature to 1273 K using neutron diffraction to investigate the thermal expansion and density variation with temperature. The lattice parameter of simulated DUPIC fuel is lower than that of UO2 and the linear thermal expansion of simulated DUPIC fuel is higher than that of UO2. For the temperature range from 298 to 1273 K, the average linear thermal expansion coefficients for UO2 and simulated DUPIC fuel are 10.471 ''10-6 and 10.751 ''10-6 K-1, respectively

  1. Thermal Properties of Lunar Regolith Simulants

    Science.gov (United States)

    Street, Kenneth; Ray, Chandra; Rickman, Doug

    2010-01-01

    Various high temperature chemical processes have been developed to extract oxygen and metals from lunar regolith. These processes are tested using terrestrial analogues of the regolith. But all practical terrestrial analogs contain H2O and/or OH-, the presence of which has substantial impact on important system behaviors. We have undertaken studies of lunar regolith simulants to determine the limits of the simulants to validate key components for human survivability during sustained presence on the moon. Differential Thermal Analysis (DTA) yields information on phase transitions and melting temperatures. Themo-Gravimetric Analysis (TGA) with mass spectrometric (MS) determination of evolved gas species yields chemical information on various oxygenated volatiles (water, carbon dioxide, sulfur oxides, nitrogen oxides and phosphorus oxides) and their evolution temperature profiles. The DTA and TGAMS studies included JSC-1A fine, NU-LHT-2M and its proposed feed stocks: anorthosite; dunite; HQ (high quality) glass and the norite from which HQ glass is produced. Fig 1 is a data profile for anorthosite. The DTA (Fig 1a) indicates exothermic transitions at 355 and 490 C and endothermic transitions at 970 and 1235 C. Below the 355 C transition, water (Molecular Weight, MW, 18 in Fig 1c) is lost accounting for approximately 0.1% mass loss due to water removal (Fig 1b). Just above 490 C a second type of water is lost, presumably bound in lattices of secondary minerals. Between 490 and the 970 transition other volatile oxides are lost including those of hydrogen (third water type), carbon (MW = 44), sulfur (MW = 64 and 80), nitrogen (MW 30 and 46) and possibly phosphorus (MW = 79, 95 or 142). Peaks at MW = 35 and 19 may be attributable to loss of chlorine and fluorine respectively. Negative peaks in the NO (MW = 30) and oxygen (MW = 32) MS profiles may indicate the production of NO2 (MW = 46). Because so many compounds are volatilized in this temperature range quantification of

  2. Haptization of molecular dynamics simulation with thermal display

    International Nuclear Information System (INIS)

    Tamura, Yuichi; Fujiwara, Susumu; Nakamura, Hiroaki

    2010-01-01

    Thermal display, which is a type of haptic display, is effective in providing intuitive information of temperature. However, in many studies, the user has assumed a sitting position during the use of these devices. In contrast, the user generally watches 3D objects while standing and walking around in large-scale virtual reality system, In addition, in scientific visualization, the response time is very important for observing physical phenomena, especially for dynamic numerical simulation. One solution is to provide two types of thermal information: information about the rate of thermal change and information about the actual temperature. We propose a thermal display with two Peltier elements which can show above two pairs of information and the result (for example energy and temperature, as thermal information) of numerical simulation. Finally, we represent an example of visualizing and haptizing the result of molecular dynamics simulation. (author)

  3. Contact Thermal Analysis and Wear Simulation of a Brake Block

    Directory of Open Access Journals (Sweden)

    Nándor Békési

    2013-01-01

    Full Text Available The present paper describes an experimental test and a coupled contact-thermal-wear analysis of a railway wheel/brake block system through the braking process. During the test, the friction, the generated heat, and the wear were evaluated. It was found that the contact between the brake block and the wheel occurs in relatively small and slowly moving hot spots, caused by the wear and the thermal effects. A coupled simulation method was developed including numerical frictional contact, transient thermal and incremental wear calculations. In the 3D simulation, the effects of the friction, the thermal expansion, the wear, and the temperature-dependent material properties were also considered. A good agreement was found between the results of the test and the calculations, both for the thermal and wear results. The proposed method is suitable for modelling the slowly oscillating wear caused by the thermal expansions in the contact area.

  4. Electrical power system integrated thermal/electrical system simulation

    International Nuclear Information System (INIS)

    Freeman, W.E.

    1992-01-01

    This paper adds thermal properties to previously developed electrical Saber templates and incorporates these templates into a functional Electrical Power Subsystem (EPS) simulation. These combined electrical and thermal templates enable the complete and realistic simulation of a vehicle EPS on-orbit. Applications include on-orbit energy balance determinations for system load changes, initial array and battery EPS sizing for new EPS development, and array and battery technology trade studies. This effort proves the versatility of the Saber simulation program in handling varied and complex simulations accurately and in a reasonable amount of computer time. 9 refs

  5. Thermal simulation of storage in TSS-Galleries

    International Nuclear Information System (INIS)

    Lain Huerta, R.; Martinez Santiago, T.; Ramirez Oyangueren, P.

    1993-01-01

    This report describes the experiment ''thermal simulation of storage in TSS-galleries'' what is been developed in salt mine of Asse, Germany. The report has 3 part: 1) Analysis of objectives and general description of boundary layers. 2) Geomechanics parameters of salt mine. 3) Thermal modelization, thermomechanics modelization and data acquisition

  6. Design and Test of Advanced Thermal Simulators for an Alkali Metal-Cooled Reactor Simulator

    Science.gov (United States)

    Garber, Anne E.; Dickens, Ricky E.

    2011-01-01

    The Early Flight Fission Test Facility (EFF-TF) at NASA Marshall Space Flight Center (MSFC) has as one of its primary missions the development and testing of fission reactor simulators for space applications. A key component in these simulated reactors is the thermal simulator, designed to closely mimic the form and function of a nuclear fuel pin using electric heating. Continuing effort has been made to design simple, robust, inexpensive thermal simulators that closely match the steady-state and transient performance of a nuclear fuel pin. A series of these simulators have been designed, developed, fabricated and tested individually and in a number of simulated reactor systems at the EFF-TF. The purpose of the thermal simulators developed under the Fission Surface Power (FSP) task is to ensure that non-nuclear testing can be performed at sufficiently high fidelity to allow a cost-effective qualification and acceptance strategy to be used. Prototype thermal simulator design is founded on the baseline Fission Surface Power reactor design. Recent efforts have been focused on the design, fabrication and test of a prototype thermal simulator appropriate for use in the Technology Demonstration Unit (TDU). While designing the thermal simulators described in this paper, effort were made to improve the axial power profile matching of the thermal simulators. Simultaneously, a search was conducted for graphite materials with higher resistivities than had been employed in the past. The combination of these two efforts resulted in the creation of thermal simulators with power capacities of 2300-3300 W per unit. Six of these elements were installed in a simulated core and tested in the alkali metal-cooled Fission Surface Power Primary Test Circuit (FSP-PTC) at a variety of liquid metal flow rates and temperatures. This paper documents the design of the thermal simulators, test program, and test results.

  7. Computer Simulation in Problems of Thermal Strength

    Directory of Open Access Journals (Sweden)

    Olga I. Chelyapina

    2012-05-01

    Full Text Available This article discusses informative technology of using graphical programming environment LabVIEW 2009 when calculating and predicting the thermal strength of materials with an inhomogeneous structure. Algorithm for processing the experimental data was developed as part of the problem.

  8. Toward Improved Fidelity of Thermal Explosion Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Nichols, A L; Becker, R; Howard, W M; Wemhoff, A

    2009-07-17

    We will present results of an effort to improve the thermal/chemical/mechanical modeling of HMX based explosive like LX04 and LX10 for thermal cook-off. The original HMX model and analysis scheme were developed by Yoh et.al. for use in the ALE3D modeling framework. The current results were built to remedy the deficiencies of that original model. We concentrated our efforts in four areas. The first area was addition of porosity to the chemical material model framework in ALE3D that is used to model the HMX explosive formulation. This is needed to handle the roughly 2% porosity in solid explosives. The second area was the improvement of the HMX reaction network, which included the inclusion of a reactive phase change model base on work by Henson et.al. The third area required adding early decomposition gas species to the CHEETAH material database to develop more accurate equations of state for gaseous intermediates and products. Finally, it was necessary to improve the implicit mechanics module in ALE3D to more naturally handle the long time scales associated with thermal cook-off. The application of the resulting framework to the analysis of the Scaled Thermal Explosion (STEX) experiments will be discussed.

  9. Micromagnetic simulation of thermally activated switching in fine particles

    International Nuclear Information System (INIS)

    Scholz, Werner; Schrefl, Thomas; Fidler, J.

    2001-01-01

    Effects of thermal activation are included in micromagnetic simulations by adding a random thermal field to the effective magnetic field. As a result, the Landau-Lifshitz equation is converted into a stochastic differential equation of Langevin type with multiplicative noise. The Stratonovich interpretation of the stochastic Landau-Lifshitz equation leads to the correct thermal equilibrium properties. The proper generalization of Taylor expansions to stochastic calculus gives suitable time integration schemes. For a single rigid magnetic moment the thermal equilibrium properties are investigated. It is found, that the Heun scheme is a good compromise between numerical stability and computational complexity. Small cubic and spherical ferromagnetic particles are studied

  10. RADYN Simulations of Non-thermal and Thermal Models of Ellerman Bombs

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Jie; Ding, M. D. [School of Astronomy and Space Science, Nanjing University, Nanjing 210023 (China); Carlsson, Mats, E-mail: dmd@nju.edu.cn [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, NO-0315 Oslo (Norway)

    2017-08-20

    Ellerman bombs (EBs) are brightenings in the H α line wings that are believed to be caused by magnetic reconnection in the lower atmosphere. To study the response and evolution of the chromospheric line profiles, we perform radiative hydrodynamic simulations of EBs using both non-thermal and thermal models. Overall, these models can generate line profiles that are similar to observations. However, in non-thermal models we find dimming in the H α line wings and continuum when the heating begins, while for the thermal models dimming occurs only in the H α line core, and with a longer lifetime. This difference in line profiles can be used to determine whether an EB is dominated by non-thermal heating or thermal heating. In our simulations, if a higher heating rate is applied, then the H α line will be unrealistically strong and there are still no clear UV burst signatures.

  11. RADYN Simulations of Non-thermal and Thermal Models of Ellerman Bombs

    Science.gov (United States)

    Hong, Jie; Carlsson, Mats; Ding, M. D.

    2017-08-01

    Ellerman bombs (EBs) are brightenings in the Hα line wings that are believed to be caused by magnetic reconnection in the lower atmosphere. To study the response and evolution of the chromospheric line profiles, we perform radiative hydrodynamic simulations of EBs using both non-thermal and thermal models. Overall, these models can generate line profiles that are similar to observations. However, in non-thermal models we find dimming in the Hα line wings and continuum when the heating begins, while for the thermal models dimming occurs only in the Hα line core, and with a longer lifetime. This difference in line profiles can be used to determine whether an EB is dominated by non-thermal heating or thermal heating. In our simulations, if a higher heating rate is applied, then the Hα line will be unrealistically strong and there are still no clear UV burst signatures.

  12. Equipping simulators with an advanced thermal hydraulics model EDF's experience

    International Nuclear Information System (INIS)

    Soldermann, R.; Poizat, F.; Sekri, A.; Faydide, B.; Dumas, J.M.

    1997-01-01

    The development of an accelerated version of the advanced CATHARe-1 thermal hydraulics code designed for EDF training simulators (CATHARE-SIMU) was successfully completed as early as 1991. Its successful integration as the principal model of the SIPA Post-Accident Simulator meant that its use could be extended to full-scale simulators as part of the renovation of the stock of existing simulators. In order to further extend the field of application to accidents occurring in shutdown states requiring action and to catch up with developments in respect of the CATHARE code, EDF initiated the SCAR Project designed to adapt CATHARE-2 to simulator requirements (acceleration, parallelization of the computation and extension of the simulation range). In other respects, the installation of SIPA on workstations means that the authors can envisage the application of this remarkable training facility to the understanding of thermal hydraulics accident phenomena

  13. Strangeness by Thermal Model Simulation at RHIC

    Institute of Scientific and Technical Information of China (English)

    SHI Xing-Hua; MA Yu-Gang; CAI Xiang-Zhou; CHEN Jin-Hui; MA Guo-Liang; ZHONG Chen

    2009-01-01

    The local temperature effect on strangeness enhancement in relativistic heavy ion collisions is discussed in the framework of the thermal model in which the K+ /h+ ratio becomes smaller with increasing freeze-out temperature.Considering that most strangeness particles of final-state particles are from the kaon meson,the temperature effect may play a role in strangeness production in hot dense matter where a slightly different temperature distribution in different areas could be produced by jet energy loss.This phenomenon is predicted by thermal model calculation at RHIC energy.The Ε-/φ ratio in central Au+Au collisions at 200 GeV from the thermal model depends on the freeze-out temperature obviously when γs is different.It should be one of the reasons why strangeness enhancements of Ε and φ are different though they include two strange quarks.These results indicate that thermodynamics is an important factor for strangeness production and the strangeness enhancement phenomenon.

  14. Tutorial: Determination of thermal boundary resistance by molecular dynamics simulations

    Science.gov (United States)

    Liang, Zhi; Hu, Ming

    2018-05-01

    Due to the high surface-to-volume ratio of nanostructured components in microelectronics and other advanced devices, the thermal resistance at material interfaces can strongly affect the overall thermal behavior in these devices. Therefore, the thermal boundary resistance, R, must be taken into account in the thermal analysis of nanoscale structures and devices. This article is a tutorial on the determination of R and the analysis of interfacial thermal transport via molecular dynamics (MD) simulations. In addition to reviewing the commonly used equilibrium and non-equilibrium MD models for the determination of R, we also discuss several MD simulation methods which can be used to understand interfacial thermal transport behavior. To illustrate how these MD models work for various interfaces, we will show several examples of MD simulation results on thermal transport across solid-solid, solid-liquid, and solid-gas interfaces. The advantages and drawbacks of a few other MD models such as approach-to-equilibrium MD and first-principles MD are also discussed.

  15. DNA - A Thermal Energy System Simulator

    DEFF Research Database (Denmark)

    2008-01-01

    DNA is a general energy system simulator for both steady-state and dynamic simulation. The program includes a * component model library * thermodynamic state models for fluids and solid fuels and * standard numerical solvers for differential and algebraic equation systems and is free and portable...... (open source, open use, standard FORTRAN77). DNA is text-based using whichever editor, you like best. It has been integerated with the emacs editor. This is usually available on unix-like systems. for windows we recommend the Installation instructions for windows: First install emacs and then run...... the DNA installer...

  16. Adaptive implicit method for thermal compositional reservoir simulation

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, A.; Tchelepi, H.A. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Stanford Univ., Palo Alto (United States)

    2008-10-15

    As the global demand for oil increases, thermal enhanced oil recovery techniques are becoming increasingly important. Numerical reservoir simulation of thermal methods such as steam assisted gravity drainage (SAGD) is complex and requires a solution of nonlinear mass and energy conservation equations on a fine reservoir grid. The most currently used technique for solving these equations is the fully IMplicit (FIM) method which is unconditionally stable, allowing for large timesteps in simulation. However, it is computationally expensive. On the other hand, the method known as IMplicit pressure explicit saturations, temperature and compositions (IMPEST) is computationally inexpensive, but it is only conditionally stable and restricts the timestep size. To improve the balance between the timestep size and computational cost, the thermal adaptive IMplicit (TAIM) method uses stability criteria and a switching algorithm, where some simulation variables such as pressure, saturations, temperature, compositions are treated implicitly while others are treated with explicit schemes. This presentation described ongoing research on TAIM with particular reference to thermal displacement processes such as the stability criteria that dictate the maximum allowed timestep size for simulation based on the von Neumann linear stability analysis method; the switching algorithm that adapts labeling of reservoir variables as implicit or explicit as a function of space and time; and, complex physical behaviors such as heat and fluid convection, thermal conduction and compressibility. Key numerical results obtained by enhancing Stanford's General Purpose Research Simulator (GPRS) were also presented along with a list of research challenges. 14 refs., 2 tabs., 11 figs., 1 appendix.

  17. Unfolding intermediates of the mutant His-107-Tyr of human ...

    Indian Academy of Sciences (India)

    Srabani Taraphder

    We present in this article a detailed analysis of representative structures and proton transfer activity of .... cal molecular dynamics simulations to identify potential unfolding ... clustering parameters to carry out K-means cluster- ing of different ...

  18. Evaluation of uranium dioxide thermal conductivity using molecular dynamics simulations

    International Nuclear Information System (INIS)

    Kim, Woongkee; Kaviany, Massoud; Shim, J. H.

    2014-01-01

    It can be extended to larger space, time scale and even real reactor situation with fission product as multi-scale formalism. Uranium dioxide is a fluorite structure with Fm3m space group. Since it is insulator, dominant heat carrier is phonon, rather than electrons. So, using equilibrium molecular dynamics (MD) simulation, we present the appropriate calculation parameters in MD simulation by calculating thermal conductivity and application of it to the thermal conductivity of polycrystal. In this work, we investigate thermal conductivity of uranium dioxide and optimize the parameters related to its process. In this process, called Green Kubo formula, there are two parameters i.e correlation length and sampling interval, which effect on ensemble integration in order to obtain thermal conductivity. Through several comparisons, long correlation length and short sampling interval give better results. Using this strategy, thermal conductivity of poly crystal is obtained and comparison with that of pure crystal is made. Thermal conductivity of poly crystal show lower value that that of pure crystal. In further study, we broaden the study to transport coefficient of radiation damaged structures using molecular dynamics. Although molecular dynamics is tools for treating microscopic scale, most macroscopic issues related to nuclear materials such as voids in fuel materials and weakened mechanical properties by radiation are based on microscopic basis. Thus, research on microscopic scale would be expanded in this field and many hidden mechanism in atomic scales will be revealed via both atomic scale simulations and experiments

  19. The simulation of transients in thermal plant. Part II: Applications

    International Nuclear Information System (INIS)

    Morini, G.L.; Piva, S.

    2008-01-01

    This paper deals with the simulation of the transients of thermal plant with control systems. In the companion paper forming part I of this article [G.L. Morini, S. Piva, The simulation of transients in thermal plant. Part I: Mathematical model, Applied Thermal Engineering 27 (2007) 2138-2144] it has been described how a 'thermal-library' of customised blocks can be built and used, in an intuitive way, to study the transients of any kind of thermal plant. Each component of plant such as valves, boilers, and pumps, is represented by a single block. In this paper, the 'thermal-library' approach is demonstrated by the analysis of the dynamic behaviour of a central heating plant of a typical apartment house during a sinusoidal variation of the external temperature. A comparison of the behaviour of such a plant with three way valve working either in flow rate or in temperature control, is presented and discussed. Finally, the results show the delaying effect of the thermal capacity of the building on the performance of the control system

  20. Electro-Thermal-Mechanical Simulation Capability Final Report

    International Nuclear Information System (INIS)

    White, D

    2008-01-01

    This is the Final Report for LDRD 04-ERD-086, 'Electro-Thermal-Mechanical Simulation Capability'. The accomplishments are well documented in five peer-reviewed publications and six conference presentations and hence will not be detailed here. The purpose of this LDRD was to research and develop numerical algorithms for three-dimensional (3D) Electro-Thermal-Mechanical simulations. LLNL has long been a world leader in the area of computational mechanics, and recently several mechanics codes have become 'multiphysics' codes with the addition of fluid dynamics, heat transfer, and chemistry. However, these multiphysics codes do not incorporate the electromagnetics that is required for a coupled Electro-Thermal-Mechanical (ETM) simulation. There are numerous applications for an ETM simulation capability, such as explosively-driven magnetic flux compressors, electromagnetic launchers, inductive heating and mixing of metals, and MEMS. A robust ETM simulation capability will enable LLNL physicists and engineers to better support current DOE programs, and will prepare LLNL for some very exciting long-term DoD opportunities. We define a coupled Electro-Thermal-Mechanical (ETM) simulation as a simulation that solves, in a self-consistent manner, the equations of electromagnetics (primarily statics and diffusion), heat transfer (primarily conduction), and non-linear mechanics (elastic-plastic deformation, and contact with friction). There is no existing parallel 3D code for simulating ETM systems at LLNL or elsewhere. While there are numerous magnetohydrodynamic codes, these codes are designed for astrophysics, magnetic fusion energy, laser-plasma interaction, etc. and do not attempt to accurately model electromagnetically driven solid mechanics. This project responds to the Engineering R and D Focus Areas of Simulation and Energy Manipulation, and addresses the specific problem of Electro-Thermal-Mechanical simulation for design and analysis of energy manipulation systems

  1. A statistical approach to the estimation of mechanical unfolding parameters from the unfolding patterns of protein heteropolymers

    International Nuclear Information System (INIS)

    Beddard, G S; Brockwell, D J

    2010-01-01

    A statistical calculation is described with which the saw-tooth-like unfolding patterns of concatenated heteropolymeric proteins can be used to estimate the forced unfolding parameters of a previously uncharacterized protein. The chance of observing the various sequences of unfolding events, such as ABAABBB or BBAAABB etc, for two proteins of types A and B is calculated using proteins with various ratios of A and B and at different values of effective unfolding rate constants. If the experimental rate constant for forced unfolding, k 0 , and distance to the transition state x u are known for one protein, then the calculation allows an estimation of values for the other. The predictions are compared with Monte Carlo simulations and experimental data. (communication)

  2. Designing solar thermal experiments based on simulation

    International Nuclear Information System (INIS)

    Huleihil, Mahmoud; Mazor, Gedalya

    2013-01-01

    In this study three different models to describe the temperature distribution inside a cylindrical solid body subjected to high solar irradiation were examined, beginning with the simpler approach, which is the single dimension lump system (time), progressing through the two-dimensional distributed system approach (time and vertical direction), and ending with the three-dimensional distributed system approach with azimuthally symmetry (time, vertical direction, and radial direction). The three models were introduced and solved analytically and numerically. The importance of the models and their solution was addressed. The simulations based on them might be considered as a powerful tool in designing experiments, as they make it possible to estimate the different effects of the parameters involved in these models

  3. Study of Different Unfolding Methods of Kinematic Distributions of the WZ$\\,\\to\\,$WZ Scattering with Data and Simulations of the ATLAS Detector at the LHC

    CERN Document Server

    AUTHOR|(CDS)2101612; Siegert, Frank

    It is analyzed in this work which unfolding methods are suited for the P-value calculation in statistical tests. It is analyzed for distributions of Vector Boson Scattering in the channel WZ$\\,\\to\\,$WZ for fully leptonic final states. WZ$\\,\\to\\,$WZ scattering is predicted by the most successful model of particle physics, the Standard Model of Particle Physics - but was not measured yet. It is scheduled to record $100~\\mathrm{fb}^{-1}$ with the ATLAS detector in Run$~$2 at LHC. With that integrated luminosity an observation of that process, via a cross section measurement, is expected. The distributions of the transverse mass of the WZ system $M_T(WZ)$ and the transverse momentum of the Z boson $p_T^Z$ which are sensitive to deviations of the WZ$\\,\\to\\,$WZ scattering from the Standard Model are analyzed in this work. For comparisons between data and theory predictions detector effect have to be considered, for which the theory has to be folded or the data has to be unfolded. In this study, no significant advan...

  4. Weldability investigation steel P 91 by weld thermal cycle simulation

    Directory of Open Access Journals (Sweden)

    M. Dunđer

    2015-07-01

    Full Text Available This paper elaborates results of hardness and impact energy of thermal cycle simulated specimens of high-alloy steel P 91 and their dependence on cooling time from 800 to 500 °C. Results were obtained by measuring hardness HV 1 and by experimental testing of Charpy notched specimens. Metallographic analysis of samples was performed on scanning electronic microscope.

  5. Numerical simulation of thermal fracture in functionally graded

    Indian Academy of Sciences (India)

    Numerical simulation of thermal fracture in functionally graded materials using element-free ... Initially, the temperature distribution over the domain is obtained by solving the heat transfer problem. ... Department of Mechanical Engineering, National Institute of Technology, Hamirpur 177005, India ... Contact | Site index.

  6. Optical and thermal simulation chain for LED package

    NARCIS (Netherlands)

    Tapaninen, O.; Myohanen, P.; Majanen, M.; Sitomaniemi, A.; Olkkonen, J.; Hildenbrand, V.; Gielen, A.W.J.; Mackenzie, F.V.; Barink, M.; Smilauer, V.; Patzak, B.

    2016-01-01

    This paper presents a test case for coupling two physical aspects of an LED, optical and thermal, using specific simulation models coupled through an open source platform for distributed multi-physics modelling. The glue code for coupling is written with Python programming language including

  7. Thermal shale fracturing simulation using the Cohesive Zone Method (CZM)

    KAUST Repository

    Enayatpour, Saeid; van Oort, Eric; Patzek, Tadeusz

    2018-01-01

    Extensive research has been conducted over the past two decades to improve hydraulic fracturing methods used for hydrocarbon recovery from tight reservoir rocks such as shales. Our focus in this paper is on thermal fracturing of such tight rocks to enhance hydraulic fracturing efficiency. Thermal fracturing is effective in generating small fractures in the near-wellbore zone - or in the vicinity of natural or induced fractures - that may act as initiation points for larger fractures. Previous analytical and numerical results indicate that thermal fracturing in tight rock significantly enhances rock permeability, thereby enhancing hydrocarbon recovery. Here, we present a more powerful way of simulating the initiation and propagation of thermally induced fractures in tight formations using the Cohesive Zone Method (CZM). The advantages of CZM are: 1) CZM simulation is fast compared to similar models which are based on the spring-mass particle method or Discrete Element Method (DEM); 2) unlike DEM, rock material complexities such as scale-dependent failure behavior can be incorporated in a CZM simulation; 3) CZM is capable of predicting the extent of fracture propagation in rock, which is more difficult to determine in a classic finite element approach. We demonstrate that CZM delivers results for the challenging fracture propagation problem of similar accuracy to the eXtended Finite Element Method (XFEM) while reducing complexity and computational effort. Simulation results for thermal fracturing in the near-wellbore zone show the effect of stress anisotropy in fracture propagation in the direction of the maximum horizontal stress. It is shown that CZM can be used to readily obtain the extent and the pattern of induced thermal fractures.

  8. Thermal shale fracturing simulation using the Cohesive Zone Method (CZM)

    KAUST Repository

    Enayatpour, Saeid

    2018-05-17

    Extensive research has been conducted over the past two decades to improve hydraulic fracturing methods used for hydrocarbon recovery from tight reservoir rocks such as shales. Our focus in this paper is on thermal fracturing of such tight rocks to enhance hydraulic fracturing efficiency. Thermal fracturing is effective in generating small fractures in the near-wellbore zone - or in the vicinity of natural or induced fractures - that may act as initiation points for larger fractures. Previous analytical and numerical results indicate that thermal fracturing in tight rock significantly enhances rock permeability, thereby enhancing hydrocarbon recovery. Here, we present a more powerful way of simulating the initiation and propagation of thermally induced fractures in tight formations using the Cohesive Zone Method (CZM). The advantages of CZM are: 1) CZM simulation is fast compared to similar models which are based on the spring-mass particle method or Discrete Element Method (DEM); 2) unlike DEM, rock material complexities such as scale-dependent failure behavior can be incorporated in a CZM simulation; 3) CZM is capable of predicting the extent of fracture propagation in rock, which is more difficult to determine in a classic finite element approach. We demonstrate that CZM delivers results for the challenging fracture propagation problem of similar accuracy to the eXtended Finite Element Method (XFEM) while reducing complexity and computational effort. Simulation results for thermal fracturing in the near-wellbore zone show the effect of stress anisotropy in fracture propagation in the direction of the maximum horizontal stress. It is shown that CZM can be used to readily obtain the extent and the pattern of induced thermal fractures.

  9. Unfolding Green Defense

    DEFF Research Database (Denmark)

    Larsen, Kristian Knus

    2015-01-01

    In recent years, many states have developed and implemented green solutions for defense. Building on these initiatives NATO formulated the NATO Green Defence Framework in 2014. The framework provides a broad basis for cooperation within the Alliance on green solutions for defense. This report aims...... to inform and support the further development of green solutions by unfolding how green technologies and green strategies have been developed and used to handle current security challenges. The report, initially, focuses on the security challenges that are being linked to green defense, namely fuel...... consumption in military operations, defense expenditure, energy security, and global climate change. The report then proceeds to introduce the NATO Green Defence Framework before exploring specific current uses of green technologies and green strategies for defense. The report concludes that a number...

  10. MHD simulations of coronal dark downflows considering thermal conduction

    Science.gov (United States)

    Zurbriggen, E.; Costa, A.; Esquivel, A.; Schneiter, M.; Cécere, M.

    2017-10-01

    While several scenarios have been proposed to explain supra-arcade downflows (SADs) observed descending through turbulent hot regions, none of them have systematically addressed the consideration of thermal conduction. The SADs are known to be voided cavities. Our model assumes that SADs are triggered by bursty localized reconnection events that produce non-linear waves generating the voided cavity. These subdense cavities are sustained in time because they are hotter than their surrounding medium. Due to the low density and large temperature values of the plasma we expect the thermal conduction to be an important process. Our main aim here is to study if it is possible to generate SADs in the framework of our model considering thermal conduction. We carry on 2D MHD simulations including anisotropic thermal conduction, and find that if the magnetic lines envelope the cavities, they can be isolated from the hot environment and be identified as SADs.

  11. Thermal transport in semicrystalline polyethylene by molecular dynamics simulation

    Science.gov (United States)

    Lu, Tingyu; Kim, Kyunghoon; Li, Xiaobo; Zhou, Jun; Chen, Gang; Liu, Jun

    2018-01-01

    Recent research has highlighted the potential to achieve high-thermal-conductivity polymers by aligning their molecular chains. Combined with other merits, such as low-cost, corrosion resistance, and light weight, such polymers are attractive for heat transfer applications. Due to their quasi-one-dimensional structural nature, the understanding on the thermal transport in those ultra-drawn semicrystalline polymer fibers or films is still lacking. In this paper, we built the ideal repeating units of semicrystalline polyethylene and studied their dependence of thermal conductivity on different crystallinity and interlamellar topology using the molecular dynamics simulations. We found that the conventional models, such as the Choy-Young's model, the series model, and Takayanagi's model, cannot accurately predict the thermal conductivity of the quasi-one-dimensional semicrystalline polyethylene. A modified Takayanagi's model was proposed to explain the dependence of thermal conductivity on the bridge number at intermediate and high crystallinity. We also analyzed the heat transfer pathways and demonstrated the substantial role of interlamellar bridges in the thermal transport in the semicrystalline polyethylene. Our work could contribute to the understanding of the structure-property relationship in semicrystalline polymers and shed some light on the development of plastic heat sinks and thermal management in flexible electronics.

  12. GOTHIC code simulation of thermal stratification in POOLEX facility

    International Nuclear Information System (INIS)

    Li, H.; Kudinov, P.

    2009-07-01

    Pressure suppression pool is an important element of BWR containment. It serves as a heat sink and steam condenser to prevent containment pressure buildup during loss of coolant accident or safety relief valve opening during normal operations of a BWR. Insufficient mixing in the pool, in case of low mass flow rate of steam, can cause development of thermal stratification and reduction of pressure suppression pool capacity. For reliable prediction of mixing and stratification phenomena validation of simulation tools has to be performed. Data produced in POOLEX/PPOOLEX facility at Lappeenranta University of Technology about development of thermal stratification in a large scale model of a pressure suppression pool is used for GOTHIC lumped and distributed parameter validation. Sensitivity of GOTHIC solution to different boundary conditions and grid convergence study for 2D simulations of POOLEX STB-20 experiment are performed in the present study. CFD simulation was carried out with FLUENT code in order to get additional insights into physics of stratification phenomena. In order to support development of experimental procedures for new tests in the PPOOLEX facility lumped parameter pre-test GOTHIC simulations were performed. Simulations show that drywell and wetwell pressures can be kept within safety margins during a long transient necessary for development of thermal stratification. (au)

  13. GOTHIC code simulation of thermal stratification in POOLEX facility

    Energy Technology Data Exchange (ETDEWEB)

    Li, H.; Kudinov, P. (Royal Institute of Technology (KTH) (Sweden))

    2009-07-15

    Pressure suppression pool is an important element of BWR containment. It serves as a heat sink and steam condenser to prevent containment pressure buildup during loss of coolant accident or safety relief valve opening during normal operations of a BWR. Insufficient mixing in the pool, in case of low mass flow rate of steam, can cause development of thermal stratification and reduction of pressure suppression pool capacity. For reliable prediction of mixing and stratification phenomena validation of simulation tools has to be performed. Data produced in POOLEX/PPOOLEX facility at Lappeenranta University of Technology about development of thermal stratification in a large scale model of a pressure suppression pool is used for GOTHIC lumped and distributed parameter validation. Sensitivity of GOTHIC solution to different boundary conditions and grid convergence study for 2D simulations of POOLEX STB-20 experiment are performed in the present study. CFD simulation was carried out with FLUENT code in order to get additional insights into physics of stratification phenomena. In order to support development of experimental procedures for new tests in the PPOOLEX facility lumped parameter pre-test GOTHIC simulations were performed. Simulations show that drywell and wetwell pressures can be kept within safety margins during a long transient necessary for development of thermal stratification. (au)

  14. A study on the thermal expansion characteristics of simulated spent fuel and simulated DUPIC fuel

    International Nuclear Information System (INIS)

    Kang, Kweon Ho; Ryu, H. J.; Kim, H. S.; Song, K. C.; Yang, M. S.

    2001-10-01

    Thermal expansions of simulated spent PWR fuel and simulated DUPIC fuel were studied using a dilatometer in the temperature range from 298 to 1900 K. The densities of simulated spent PWR fuel and simulated DUPIC fuel used in the measurement were 10.28 g/cm3 (95.35 % of TD) and 10.26 g/cm3 (95.14 % of TD), respectively. Their linear thermal expansions of simulated fuels are higher than that of UO2, and the difference between these fuels and UO2 increases progressively as temperature increases. However, the difference between simulated spent PWR fuel and simulated DUPIC fuel can hardly be observed. For the temperature range from 298 to 1900 K, the values of the average linear thermal expansion coefficients for simulated spent PWR fuel and simulated DUPIC fuel are 1.391 10-5 and 1.393 10-5 K-1, respectively. As temperature increases to 1900 K, the relative densities of simulated spent PWR fuel and simulated DUPIC fuel decrease to 93.81 and 93.76 % of initial densities at 298 K, respectively

  15. Engineering-Based Thermal CFD Simulations on Massive Parallel Systems

    KAUST Repository

    Frisch, Jérôme

    2015-05-22

    The development of parallel Computational Fluid Dynamics (CFD) codes is a challenging task that entails efficient parallelization concepts and strategies in order to achieve good scalability values when running those codes on modern supercomputers with several thousands to millions of cores. In this paper, we present a hierarchical data structure for massive parallel computations that supports the coupling of a Navier–Stokes-based fluid flow code with the Boussinesq approximation in order to address complex thermal scenarios for energy-related assessments. The newly designed data structure is specifically designed with the idea of interactive data exploration and visualization during runtime of the simulation code; a major shortcoming of traditional high-performance computing (HPC) simulation codes. We further show and discuss speed-up values obtained on one of Germany’s top-ranked supercomputers with up to 140,000 processes and present simulation results for different engineering-based thermal problems.

  16. Nuclear Thermal Rocket Element Environmental Simulator (NTREES) Upgrade Activities

    Science.gov (United States)

    Emrich, William J. Jr.; Moran, Robert P.; Pearson, J. Boise

    2012-01-01

    To support the on-going nuclear thermal propulsion effort, a state-of-the-art non nuclear experimental test setup has been constructed to evaluate the performance characteristics of candidate fuel element materials and geometries in representative environments. The facility to perform this testing is referred to as the Nuclear Thermal Rocket Element Environment Simulator (NTREES). This device can simulate the environmental conditions (minus the radiation) to which nuclear rocket fuel components will be subjected during reactor operation. Test articles mounted in the simulator are inductively heated in such a manner so as to accurately reproduce the temperatures and heat fluxes which would normally occur as a result of nuclear fission and would be exposed to flowing hydrogen. Initial testing of a somewhat prototypical fuel element has been successfully performed in NTREES and the facility has now been shutdown to allow for an extensive reconfiguration of the facility which will result in a significant upgrade in its capabilities

  17. Thermal Fluctuations in Smooth Dissipative Particle Dynamics simulation of mesoscopic thermal systems

    Science.gov (United States)

    Gatsonis, Nikolaos; Yang, Jun

    2013-11-01

    The SDPD-DV is implemented in our work for arbitrary 3D wall bounded geometries. The particle position and momentum equations are integrated with a velocity-Verlet algorithm and the entropy equation is integrated with a Runge-Kutta algorithm. Simulations of nitrogen gas are performed to evaluate the effects of timestep and particle scale on temperature, self-diffusion coefficient and shear viscosity. The hydrodynamic fluctuations in temperature, density, pressure and velocity from the SDPD-DV simulations are evaluated and compared with theoretical predictions. Steady planar thermal Couette flows are simulated and compared with analytical solutions. Simulations cover the hydrodynamic and mesocopic regime and show thermal fluctuations and their dependence on particle size.

  18. Solar thermal power plants simulation using the TRNSYS software

    Energy Technology Data Exchange (ETDEWEB)

    Popel, O.S.; Frid, S.E.; Shpilrain, E.E. [Institute for High Temperatures, Russian Academy of Sciences (IVTAN), Moscow (Russian Federation)

    1999-03-01

    The paper describes activity directed on the TRNSYS software application for mathematical simulation of solar thermal power plants. First stage of developments has been devoted to simulation and thermodynamic analysis of the Hybrid Solar-Fuel Thermal Power Plants (HSFTPP) with gas turbine installations. Three schemes of HSFTPP, namely: Gas Turbine Regenerative Cycle, Brayton Cycle with Steam Injection and Combined Brayton-Rankine Cycle,- have been assembled and tested under the TRNSYS. For this purpose 18 new models of the schemes components (gas and steam turbines, compressor, heat-exchangers, steam generator, solar receiver, condenser, controllers, etc) have been elaborated and incorporated into the TRNSYS library of 'standard' components. The authors do expect that this initiative and received results will stimulate experts involved in the mathematical simulation of solar thermal power plants to join the described activity to contribute to acceleration of development and expansion of 'Solar Thermal Power Plants' branch of the TRNSYS. The proposed approach could provide an appropriate basis for standardization of analysis, models and assumptions for well-founded comparison of different schemes of advanced solar power plants. (authors)

  19. TO THE QUESTION ABOUT THE SIMULATION OF TURBULENT THERMAL FLOWS

    Directory of Open Access Journals (Sweden)

    2016-01-01

    Full Text Available The main purpose of this work was the simulation of turbulent thermal flows, which is aimed at improving the visualization and the modeling of the flow fields of wind flows, which are necessary for aviation. The physical-mathematical model of gas flow in thermal is proposed on the basis of thermodynamic model and dynamic model under the assumption that the condensation energy, when the movement of the thermal is upward, becomes the turbulent fluctuations. A thermal is an air mass, which goes up and is capable to intermix with ambient air. In the work the thermodynamic model of thermal is presented, the equations and the system of equations are derived, that describe the main characteristics of wind flow, which are required for the modeling of airflows. The generation of vertical turbulent gust with von Karman spectrum is shown. The basic assumption in the construction of the dynamic model of generation was that the energy, which is stood out in the thermal due to the condensation of steam, is converted into the energy of turbulent pulsations. Some examples of numerical simulation are given in the article. The visualizations of the generation of the vertical velocity of random wind gust are given depending on the size of the considered space and depending on the pitch of cell partition. The analysis and comparison of the obtained results of the calculation are presented. The conducted studies are aimed at the simulation of the atmospheric background and atmospheric processes and, in the final result, at the increasing of flight safety.

  20. Advances in Integrated Vehicle Thermal Management and Numerical Simulation

    Directory of Open Access Journals (Sweden)

    Yan Wang

    2017-10-01

    Full Text Available With the increasing demands for vehicle dynamic performance, economy, safety and comfort, and with ever stricter laws concerning energy conservation and emissions, vehicle power systems are becoming much more complex. To pursue high efficiency and light weight in automobile design, the power system and its vehicle integrated thermal management (VITM system have attracted widespread attention as the major components of modern vehicle technology. Regarding the internal combustion engine vehicle (ICEV, its integrated thermal management (ITM mainly contains internal combustion engine (ICE cooling, turbo-charged cooling, exhaust gas recirculation (EGR cooling, lubrication cooling and air conditioning (AC or heat pump (HP. As for electric vehicles (EVs, the ITM mainly includes battery cooling/preheating, electric machines (EM cooling and AC or HP. With the rational effective and comprehensive control over the mentioned dynamic devices and thermal components, the modern VITM can realize collaborative optimization of multiple thermodynamic processes from the aspect of system integration. Furthermore, the computer-aided calculation and numerical simulation have been the significant design methods, especially for complex VITM. The 1D programming can correlate multi-thermal components and the 3D simulating can develop structuralized and modularized design. Additionally, co-simulations can virtualize simulation of various thermo-hydraulic behaviors under the vehicle transient operational conditions. This article reviews relevant researching work and current advances in the ever broadening field of modern vehicle thermal management (VTM. Based on the systematic summaries of the design methods and applications of ITM, future tasks and proposals are presented. This article aims to promote innovation of ITM, strengthen the precise control and the performance predictable ability, furthermore, to enhance the level of research and development (R&D.

  1. Thermal Simulation of the Component Rework Profile Temperature

    OpenAIRE

    Nurminen, Janne

    2015-01-01

    The aim of this study was to clarify the possibilities and feasibility of the ther-mal simulation for the modeling of the rework process. The rework process modeling could enable an easy and fast access to the component and PWB level thermally critical effects like over and under heating of the component during the rework process. The modeling could also be used as a help of the real rework profile definition at an early phase of the electrical device development. The work includes a...

  2. In vivo photosystem I reduction in thermophilic and mesophilic cyanobacteria: The thermal resistance of the process is limited by factors other than the unfolding of the partners

    International Nuclear Information System (INIS)

    Duran, Raul V.; Hervas, Manuel; Rosa, Miguel A. de la; Navarro, Jose A.

    2005-01-01

    Photosystem I reduction by plastocyanin and cytochrome c 6 in cyanobacteria has been extensively studied in vitro, but much less information is provided on this process inside the cell. Here, we report an analysis of the electron transfer from both plastocyanin and cytochrome c 6 to photosystem I in intact cells of several cyanobacterial species, including a comparative study of the temperature effect in mesophilic and thermophilic organisms. Our data show that cytochrome c 6 reduces photosystem I by following a reaction mechanism involving complex formation, whereas the copper-protein follows a simpler collisional mechanism. These results contrast with previous kinetic studies in vitro. The effect of temperature on photosystem I reduction leads us to conclude that the thermal resistance of this process is determined by factors other than the proper stability of the protein partners

  3. The thermal pressure distribution of a simulated cold neutral medium

    Energy Technology Data Exchange (ETDEWEB)

    Gazol, Adriana, E-mail: a.gazol@crya.unam.mx [Centro de Radioastronomía y Astrofísica, UNAM, A. P. 3-72, c.p. 58089 Morelia, Michoacán (Mexico)

    2014-07-01

    We numerically study the thermal pressure distribution in a gas with thermal properties similar to those of the cold neutral interstellar gas by analyzing three-dimensional hydrodynamic models in boxes with sides of 100 pc with turbulent compressible forcing at 50 pc and different Mach numbers. We find that at high pressures and for large Mach numbers, both the volume-weighted and the density-weighted distributions can be appropriately described by a log-normal distribution, whereas for small Mach numbers they are better described by a power law. Thermal pressure distributions resulting from similar simulations but with self-gravity differ only for low Mach numbers; in this case, they develop a high pressure tail.

  4. Thermal unit availability modeling in a regional simulation model

    International Nuclear Information System (INIS)

    Yamayee, Z.A.; Port, J.; Robinett, W.

    1983-01-01

    The System Analysis Model (SAM) developed under the umbrella of PNUCC's System Analysis Committee is capable of simulating the operation of a given load/resource scenario. This model employs a Monte-Carlo simulation to incorporate uncertainties. Among uncertainties modeled is thermal unit availability both for energy simulation (seasonal) and capacity simulations (hourly). This paper presents the availability modeling in the capacity and energy models. The use of regional and national data in deriving the two availability models, the interaction between the two and modifications made to the capacity model in order to reflect regional practices is presented. A sample problem is presented to show the modification process. Results for modeling a nuclear unit using NERC-GADS is presented

  5. Simulation of Thermal Hydraulic at Supercritical Pressures with APROS

    Energy Technology Data Exchange (ETDEWEB)

    Kurki, Joona [VTT Technical Research Centre of Finland, P.O. Box 1000, FI02044 VTT (Finland)

    2008-07-01

    The proposed concepts for the fourth generation of nuclear reactors include a reactor operating with water at thermodynamically supercritical state, the Supercritical Water Reactor (SCWR). For the design and safety demonstrations of such a reactor, the possibility to accurately simulate the thermal hydraulics of the supercritical coolant is an absolute prerequisite. For this purpose, the one-dimensional two-phase thermal hydraulics solution of APROS process simulation software was developed to function at the supercritical pressure region. Software modifications included the redefinition of some parameters that have physical significance only at the subcritical pressures, improvement of the steam tables, and addition of heat transfer and friction correlations suitable for the supercritical pressure region. (author)

  6. Thermal properties of graphene from path-integral simulations

    Science.gov (United States)

    Herrero, Carlos P.; Ramírez, Rafael

    2018-03-01

    Thermal properties of graphene monolayers are studied by path-integral molecular dynamics simulations, which take into account the quantization of vibrational modes in the crystalline membrane and allow one to consider anharmonic effects in these properties. This system was studied at temperatures in the range from 12 to 2000 K and zero external stress, by describing the interatomic interactions through the LCBOPII effective potential. We analyze the internal energy and specific heat and compare the results derived from the simulations with those yielded by a harmonic approximation for the vibrational modes. This approximation turns out to be rather precise up to temperatures of about 400 K. At higher temperatures, we observe an influence of the elastic energy due to the thermal expansion of the graphene sheet. Zero-point and thermal effects on the in-plane and "real" surface of graphene are discussed. The thermal expansion coefficient α of the real area is found to be positive at all temperatures, in contrast to the expansion coefficient αp of the in-plane area, which is negative at low temperatures and becomes positive for T ≳ 1000 K.

  7. Modeling and simulation of thermally actuated bilayer plates

    Science.gov (United States)

    Bartels, Sören; Bonito, Andrea; Muliana, Anastasia H.; Nochetto, Ricardo H.

    2018-02-01

    We present a mathematical model of polymer bilayers that undergo large bending deformations when actuated by non-mechanical stimuli such as thermal effects. The simple model captures a large class of nonlinear bending effects and can be discretized with standard plate elements. We devise a fully practical iterative scheme and apply it to the simulation of folding of several practically useful compliant structures comprising of thin elastic layers.

  8. Reversible Unfolding of Rhomboid Intramembrane Proteases.

    Science.gov (United States)

    Panigrahi, Rashmi; Arutyunova, Elena; Panwar, Pankaj; Gimpl, Katharina; Keller, Sandro; Lemieux, M Joanne

    2016-03-29

    Denaturant-induced unfolding of helical membrane proteins provides insights into their mechanism of folding and domain organization, which take place in the chemically heterogeneous, anisotropic environment of a lipid membrane. Rhomboid proteases are intramembrane proteases that play key roles in various diseases. Crystal structures have revealed a compact helical bundle with a buried active site, which requires conformational changes for the cleavage of transmembrane substrates. A dimeric form of the rhomboid protease has been shown to be important for activity. In this study, we examine the mechanism of refolding for two distinct rhomboids to gain insight into their secondary structure-activity relationships. Although helicity is largely abolished in the unfolded states of both proteins, unfolding is completely reversible for HiGlpG but only partially reversible for PsAarA. Refolding of both proteins results in reassociation of the dimer, with a 90% regain of catalytic activity for HiGlpG but only a 70% regain for PsAarA. For both proteins, a broad, gradual transition from the native, folded state to the denatured, partly unfolded state was revealed with the aid of circular dichroism spectroscopy as a function of denaturant concentration, thus arguing against a classical two-state model as found for many globular soluble proteins. Thermal denaturation has irreversible destabilizing effects on both proteins, yet reveals important functional details regarding substrate accessibility to the buried active site. This concerted biophysical and functional analysis demonstrates that HiGlpG, with a simple six-transmembrane-segment organization, is more robust than PsAarA, which has seven predicted transmembrane segments, thus rendering HiGlpG amenable to in vitro studies of membrane-protein folding. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  9. A genetic algorithm based method for neutron spectrum unfolding

    International Nuclear Information System (INIS)

    Suman, Vitisha; Sarkar, P.K.

    2013-03-01

    An approach to neutron spectrum unfolding based on a stochastic evolutionary search mechanism - Genetic Algorithm (GA) is presented. It is tested to unfold a set of simulated spectra, the unfolded spectra is compared to the output of a standard code FERDOR. The method was then applied to a set of measured pulse height spectrum of neutrons from the AmBe source as well as of emitted neutrons from Li(p,n) and Ag(C,n) nuclear reactions carried out in the accelerator environment. The unfolded spectra compared to the output of FERDOR show good agreement in the case of AmBe spectra and Li(p,n) spectra. In the case of Ag(C,n) spectra GA method results in some fluctuations. Necessity of carrying out smoothening of the obtained solution is also studied, which leads to approximation of the solution yielding an appropriate solution finally. Few smoothing techniques like second difference smoothing, Monte Carlo averaging, combination of both and gaussian based smoothing methods are also studied. Unfolded results obtained after inclusion of the smoothening criteria are in close agreement with the output obtained from the FERDOR code. The present method is also tested on a set of underdetermined problems, the outputs of which is compared to the unfolded spectra obtained from the FERDOR applied to a completely determined problem, shows a good match. The distribution of the unfolded spectra is also studied. Uncertainty propagation in the unfolded spectra due to the errors present in the measurement as well as the response function is also carried out. The method appears to be promising for unfolding the completely determined as well as underdetermined problems. It also has provisions to carry out the uncertainty analysis. (author)

  10. Influence of the initial guess spectrum in the unfolding of Bss data obtained inside a bunker of a PET cyclotron

    Energy Technology Data Exchange (ETDEWEB)

    Benavente C, J. A.; Lacerda, M. A. S.; Guimaraes, A. M.; Da Silva, T. A. [Universidade Federal de Minas Gerais, Departamento de Engenharia Nuclear, Programa de Pos-graduacao em Ciencias e Tecnicas Nucleares, Pte. Antonio Carlos 6627, Belo Horizonte 31270-901, Minas Gerais (Brazil); Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Cipres No. 10, Fracc. La Penuela, 98060 Zacatecas, Zac. (Mexico)

    2015-10-15

    In a cyclotron facility is strongly advised the use of spectrometry techniques to support workplace neutron dosimetry. Bonner sphere spectrometer (Bss) is the most used for radiation protection applications. Bss data must be unfolded to determine the spectral particle fluence. Some computer codes have been utilized for this purpose. These codes allow unfolding the spectrum from the Bss count rates through different algorithms. Some iterative routines need an initial guess spectrum to start the unfolding. The adequate choice of this initial spectrum is a critical part of the process and can affect the final solution. In this work, we evaluate the influence of the initial guess spectrum in the unfolding of Bss data obtained in four points inside the bunker of a PET cyclotron. The measurements were done utilizing a modified Bss system with thermoluminescent detectors (TLDs). Codes BUNKIUT and NSDUAZ were utilized to unfold the Bss data. For the NSDUAZ the starting spectrum is automatically obtained from a library initial guess spectra. For the BUNKIUT code were utilized two different initial guess spectra: (a) a Maxwellian spectrum with temperature of 1.4 MeV and shape factor of 0.1, created with the MAXIET algorithm and; (b) the spectra obtained through simulation with the MCNPX code version 2.7. Spectra obtained with both unfold codes and with the different initial guess spectra presented epithermal and thermal neutrons due to room-return effects. However, the contribution of the fast neutron to the total fluence were quite different for the different cases studied. These differences highlight the importance of an appropriate choice of an initial guess spectra for the quality of the results. (Author)

  11. Influence of the initial guess spectrum in the unfolding of Bss data obtained inside a bunker of a PET cyclotron

    International Nuclear Information System (INIS)

    Benavente C, J. A.; Lacerda, M. A. S.; Guimaraes, A. M.; Da Silva, T. A.; Vega C, H. R.

    2015-10-01

    In a cyclotron facility is strongly advised the use of spectrometry techniques to support workplace neutron dosimetry. Bonner sphere spectrometer (Bss) is the most used for radiation protection applications. Bss data must be unfolded to determine the spectral particle fluence. Some computer codes have been utilized for this purpose. These codes allow unfolding the spectrum from the Bss count rates through different algorithms. Some iterative routines need an initial guess spectrum to start the unfolding. The adequate choice of this initial spectrum is a critical part of the process and can affect the final solution. In this work, we evaluate the influence of the initial guess spectrum in the unfolding of Bss data obtained in four points inside the bunker of a PET cyclotron. The measurements were done utilizing a modified Bss system with thermoluminescent detectors (TLDs). Codes BUNKIUT and NSDUAZ were utilized to unfold the Bss data. For the NSDUAZ the starting spectrum is automatically obtained from a library initial guess spectra. For the BUNKIUT code were utilized two different initial guess spectra: (a) a Maxwellian spectrum with temperature of 1.4 MeV and shape factor of 0.1, created with the MAXIET algorithm and; (b) the spectra obtained through simulation with the MCNPX code version 2.7. Spectra obtained with both unfold codes and with the different initial guess spectra presented epithermal and thermal neutrons due to room-return effects. However, the contribution of the fast neutron to the total fluence were quite different for the different cases studied. These differences highlight the importance of an appropriate choice of an initial guess spectra for the quality of the results. (Author)

  12. thermal characteristics of a simulated non-radioactive agricultural waste

    International Nuclear Information System (INIS)

    Ahmed, A.Z.; Soliman, H.M.; Abdelmoniem, M.

    2004-01-01

    characterization of thermal degradation of a mixture of a simulated non radioactive contaminated almond shell and cotton straw is important to check possibility of its safe treatment by pyrolysis. thermal analysis of the mixture was carried out using thermal gravimetric analysis (TGA) under inert atmosphere. thermal degradation of almond shell and cotton straw mixture takes place in two stages namely, volatilization stage and decarbonization stage. kinetics of the thermal degradation was studied to determine the reaction rate, activation energy, entropy change, enthalpy change and free energy for both stages. during pyrolysis, 5.8% water Vapor, 46.4% condensed gases, 29.2% condensed gases, and 18.6% pyrolysis coke residue by weight were obtained . analysis of pyrolysis condensed gases showed that it contained 24.2% N 2 ,7.1% CO, 14% H 2 and 17.3 CO 2 by weight. in addition, results revealed that the heavy elements are concentrated in the coke residue. it was found that the rate constant of the reacion increases by the increase in the temperature for both sages. more above, results revealed that the activation energy for volatilization stage is higher than decarbonization stage

  13. Practical considerations in developing numerical simulators for thermal recovery

    Energy Technology Data Exchange (ETDEWEB)

    Abou-Kassem, J.H. [Chemical and Petroleum Engineering Department, UAE University, Al-Ain (United Arab Emirates)

    1996-08-15

    Numerical simulation of steam injection and in-situ combustion-based oil recovery processes is of great importance in project design. Development of such numerical simulators is an on-going process, with improvements made as the process description becomes more complete, and also as better methods are devised to resolve certain numerical difficulties. This paper addresses some of the latter, and based on the author`s experience gives useful guidelines for developing more efficient numerical simulators of steam injection and in-situ combustion. The paper takes up a series of questions related to simulating thermal processes. Included are: the elimination of constraint equations at the matrix level, phase change, steam injection rate, alternative treatments of heat loss, relative permeabilities and importance of hysteresis effects, improved solutions to the grid orientation problem and other simulation problems such as potential inversion, grid block size, time-step size control and induced fractures. The points discussed in the paper should be of use to both simulator developers and users alike, and will lead to a better understanding of simulation results

  14. Minerve: thermal-hydraulic phenomena simulation and virtual reality

    International Nuclear Information System (INIS)

    Laffont, A.; Pentori, B.

    2003-01-01

    MINERVE is a 3D interactive application representing the thermal-hydraulic phenomena happening in a nuclear plant. Therefore, the 3D geometric model of the French 900 MW PWR installations has been built. The users can interact in real time with this model to see at each step of the simulation what happens in the pipes. The thermal-hydraulic simulation is made by CATHARE-2, which calculates at every time step data on about one thousand meshes (the whole primary circuit, a part of the second circuit, and the Residual Heat Removal System). The simulation covers incidental and accidental cases on these systems. There are two main innovations in MINERVE: In the domain of nuclear plant's visualization, it is to introduce interactive 3D software mechanisms to visualize results of a physical simulation. In the domain of real-time 3D, it is to visualize fluids in a pipe, while they can have several configurations, like bubbles or single liquid phase. These mechanisms enable better comprehension and better visual representation of the possible phenomena. This paper describes the functionalities of MINERVE, and the difficulties to represent fluids with several characteristics like speed, configuration,..., in 3D. On the end, we talk about the future of MINERVE, and more widely of the possible futures of such an application in scientific visualization. (authors)

  15. Minerve: thermal-hydraulic phenomena simulation and virtual reality

    Energy Technology Data Exchange (ETDEWEB)

    Laffont, A.; Pentori, B. [EDF R and D, EDF SEPTEN Electricity of France - Research and Development, Department SINETICS, 92 - Clamart (France)

    2003-07-01

    MINERVE is a 3D interactive application representing the thermal-hydraulic phenomena happening in a nuclear plant. Therefore, the 3D geometric model of the French 900 MW PWR installations has been built. The users can interact in real time with this model to see at each step of the simulation what happens in the pipes. The thermal-hydraulic simulation is made by CATHARE-2, which calculates at every time step data on about one thousand meshes (the whole primary circuit, a part of the second circuit, and the Residual Heat Removal System). The simulation covers incidental and accidental cases on these systems. There are two main innovations in MINERVE: In the domain of nuclear plant's visualization, it is to introduce interactive 3D software mechanisms to visualize results of a physical simulation. In the domain of real-time 3D, it is to visualize fluids in a pipe, while they can have several configurations, like bubbles or single liquid phase. These mechanisms enable better comprehension and better visual representation of the possible phenomena. This paper describes the functionalities of MINERVE, and the difficulties to represent fluids with several characteristics like speed, configuration,..., in 3D. On the end, we talk about the future of MINERVE, and more widely of the possible futures of such an application in scientific visualization. (authors)

  16. Simulation, optimization and control of a thermal cracking furnace

    International Nuclear Information System (INIS)

    Masoumi, M.E.; Sadrameli, S.M.; Towfighi, J.; Niaei, A.

    2006-01-01

    The ethylene production process is one of the most important aspect of a petrochemical plant and the cracking furnace is the heart of the process. Since, ethylene is one of the raw materials in the chemical industry and the market situation of not only the feed and the product, but also the utility is rapidly changing, the optimal operation and control of the plant is important. A mathematical model, which describes the static and dynamic operations of a pilot plant furnace, was developed. The static simulation was used to predict the steady-state profiles of temperature, pressure and products yield. The dynamic simulation of the process was used to predict the transient behavior of thermal cracking reactor. Using a dynamic programming technique, an optimal temperature profile was developed along the reactor. Performances of temperature control loop were tested for different controller parameters and disturbances. The results of the simulation were tested experimentally in a computer control pilot plant

  17. Geometrical analysis of cytochrome c unfolding

    Science.gov (United States)

    Urie, Kristopher G.; Pletneva, Ekaterina; Gray, Harry B.; Winkler, Jay R.; Kozak, John J.

    2011-01-01

    A geometrical model has been developed to study the unfolding of iso-1 cytochrome c. The model draws on the crystallographic data reported for this protein. These data were used to calculate the distance between specific residues in the folded state, and in a sequence of extended states defined by n = 3, 5, 7, 9, 11, 13, and 15 residue units. Exact calculations carried out for each of the 103 residues in the polypeptide chain demonstrate that different regions of the chain have different unfolding histories. Regions where there is a persistence of compact structures can be identified, and this geometrical characterization is fully consistent with analyses of time-resolved fluorescence energy-transfer (TrFET) data using dansyl-derivatized cysteine side-chain probes at positions 39, 50, 66, 85, and 99. The calculations were carried out assuming that different regions of the polypeptide chain unfold synchronously. To test this assumption, lattice Monte Carlo simulations were performed to study systematically the possible importance of asynchronicity. Calculations show that small departures from synchronous dynamics can arise if displacements of residues in the main body of the chain are much more sluggish than near-terminal residues.

  18. Detection and characterization of partially unfolded oligomers of the SH3 domain of α-Spectrin

    NARCIS (Netherlands)

    Casares, S.; Sadqi, M.; López-Mayorga, O.; Conejero-Lara, F.; van Nuland, N.A.J.

    2004-01-01

    For the purpose of equilibrium and kinetic folding-unfolding studies, the SH3 domain of α-spectrin (spc-SH3) has long been considered a classic two-state folding protein. In this work we have indeed observed that the thermal unfolding curves of spc-SH3 measured at pH 3.0 by differential scanning

  19. MATLAB Simulation of Photovoltaic and Photovoltaic/Thermal Systems Performance

    Science.gov (United States)

    Nasir, Farah H. M.; Husaini, Yusnira

    2018-03-01

    The efficiency of the photovoltaic reduces when the photovoltaic cell temperature increased due to solar irradiance. One solution is come up with the cooling system photovoltaic system. This combination is forming the photovoltaic-thermal (PV/T) system. Not only will it generate electricity also heat at the same time. The aim of this research is to focus on the modeling and simulation of photovoltaic (PV) and photovoltaic-thermal (PV/T) electrical performance by using single-diode equivalent circuit model. Both PV and PV/T models are developed in Matlab/Simulink. By providing the cooling system in PV/T, the efficiency of the system can be increased by decreasing the PV cell temperature. The maximum thermal, electrical and total efficiency values of PV/T in the present research are 35.18%, 15.56% and 50.74% at solar irradiance of 400 W/m2, mass flow rate of 0.05kgs-1 and inlet temperature of 25 °C respectively has been obtained. The photovoltaic-thermal shows that the higher efficiency performance compared to the photovoltaic system.

  20. Simulation and test of the thermal behavior of pressure switch

    Science.gov (United States)

    Liu, Yifang; Chen, Daner; Zhang, Yao; Dai, Tingting

    2018-04-01

    Little, lightweight, low-power microelectromechanical system (MEMS) pressure switches offer a good development prospect for small, ultra-long, simple atmosphere environments. In order to realize MEMS pressure switch, it is necessary to solve one of the key technologies such as thermal robust optimization. The finite element simulation software is used to analyze the thermal behavior of the pressure switch and the deformation law of the pressure switch film under different temperature. The thermal stress releasing schemes are studied by changing the structure of fixed form and changing the thickness of the substrate, respectively. Finally, the design of the glass substrate thickness of 2.5 mm is used to ensure that the maximum equivalent stress is reduced to a quarter of the original value, only 154 MPa when the structure is in extreme temperature (80∘C). The test results show that after the pressure switch is thermally optimized, the upper and lower electrodes can be reliably contacted to accommodate different operating temperature environments.

  1. Thermal System Upgrade of the Space Environment Simulation Test Chamber

    Science.gov (United States)

    Desai, Ashok B.

    1997-01-01

    The paper deals with the refurbishing and upgrade of the thermal system for the existing thermal vacuum test facility, the Space Environment Simulator, at NASA's Goddard Space Flight Center. The chamber is the largest such facility at the center. This upgrade is the third phase of the long range upgrade of the chamber that has been underway for last few years. The first phase dealt with its vacuum system, the second phase involved the GHe subsystem. The paper describes the considerations of design philosophy options for the thermal system; approaches taken and methodology applied, in the evaluation of the remaining "life" in the chamber shrouds and related equipment by conducting special tests and studies; feasibility and extent of automation, using computer interfaces and Programmable Logic Controllers in the control system and finally, matching the old components to the new ones into an integrated, highly reliable and cost effective thermal system for the facility. This is a multi-year project just started and the paper deals mainly with the plans and approaches to implement the project successfully within schedule and costs.

  2. Large Eddy Simulation of a thermal mixing tee in order to assess the thermal fatigue

    International Nuclear Information System (INIS)

    Galpin, J.; Simoneau, J.P.

    2011-01-01

    Highlights: → In this study, we perform a Large Eddy Simulation of a mixing tee, for which experimental thermal statistics are available. → A special methodology has been set up for comparing properly the fluctuations with the experiment. → A comparison between the Smagorinsky and the structure-function sub-grid scale model is achieved out. → Slight better predictions are obtained with the structure-function model. → The possibility to reduce the computational domain by prescribing synthetic turbulence at the inlet is tested. First results are encouraging and underline the advantage of considering this technique instead of a standard noise at the entrance of the domain. - Abstract: The present paper deals with thermal fatigue phenomenon, and more particularly with the numerical simulation using Large Eddy Simulation technique of a mixing tee, for which experimental thermal statistics are available. The sensitivity to the sub-grid scale closure is first evaluated by comparing the experimental statistics with the numerical results obtained via both the Smagorinsky and the structure-function models. Because of a difference of temporal resolution between the experiment and the simulation, the direct comparison of the fluctuations is not possible. Therefore, a methodology based on filtering the numerical results is proposed in order to achieve a proper comparison. The comparison of the numerical results with the experiment suggests that slight better predictions are obtained with the structure-function model even if the dependency of the results to the sub-grid scale model is low. Then, the possibility to reduce the fluid computational domain by prescribing synthetic turbulence at the inlet is tested. First results are encouraging and underline the advantage of considering this technique instead of a standard noise at the entrance of the domain. All the simulations are conducted with the commercial CFD code STAR-CD.

  3. Simulation of electron thermal transport in H-mode discharges

    International Nuclear Information System (INIS)

    Rafiq, T.; Pankin, A. Y.; Bateman, G.; Kritz, A. H.; Halpern, F. D.

    2009-01-01

    Electron thermal transport in DIII-D H-mode tokamak plasmas [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] is investigated by comparing predictive simulation results for the evolution of electron temperature profiles with experimental data. The comparison includes the entire profile from the magnetic axis to the bottom of the pedestal. In the simulations, carried out using the automated system for transport analysis (ASTRA) integrated modeling code, different combinations of electron thermal transport models are considered. The combinations include models for electron temperature gradient (ETG) anomalous transport and trapped electron mode (TEM) anomalous transport, as well as a model for paleoclassical transport [J. D. Callen, Nucl. Fusion 45, 1120 (2005)]. It is found that the electromagnetic limit of the Horton ETG model [W. Horton et al., Phys. Fluids 31, 2971 (1988)] provides an important contribution near the magnetic axis, which is a region where the ETG mode in the GLF23 model [R. E. Waltz et al., Phys. Plasmas 4, 2482 (1997)] is below threshold. In simulations of DIII-D discharges, the observed shape of the H-mode edge pedestal is produced when transport associated with the TEM component of the GLF23 model is suppressed and transport given by the paleoclassical model is included. In a study involving 15 DIII-D H-mode discharges, it is found that with a particular combination of electron thermal transport models, the average rms deviation of the predicted electron temperature profile from the experimental profile is reduced to 9% and the offset to -4%.

  4. Thermal lattice Boltzmann simulation for multispecies fluid equilibration

    International Nuclear Information System (INIS)

    Vahala, Linda; Wah, Darren; Vahala, George; Carter, Jonathan; Pavlo, Pavol

    2000-01-01

    The equilibration rate for multispecies fluids is examined using thermal lattice Boltzmann simulations. Two-dimensional free-decay simulations are performed for effects of velocity shear layer turbulence on sharp temperature profiles. In particular, parameters are so chosen that the lighter species is turbulent while the heavier species is laminar--and so its vorticity layers would simply decay and diffuse in time. With species coupling, however, there is velocity equilibration followed by the final relaxation to one large co- and one large counter-rotating vortex. The temperature equilibration proceeds on a slower time scale and is in good agreement with the theoretical order of magnitude estimate of Morse [Phys. Fluids 6, 1420 (1963)]. (c) 2000 The American Physical Society

  5. Thermal lattice Boltzmann simulation for multispecies fluid equilibration

    Energy Technology Data Exchange (ETDEWEB)

    Vahala, Linda [Department of Electrical and Computer Engineering, Old Dominion University, Norfolk, Virginia 23529 (United States); Wah, Darren [Department of Physics, William and Mary College, Williamsburg, Virginia 23187 (United States); Vahala, George [Department of Physics, William and Mary College, Williamsburg, Virginia 23187 (United States); Carter, Jonathan [NERSC, Lawrence Berkeley Laboratory, Berkeley, California 97320 (United States); Pavlo, Pavol [Institute of Plasma Physics, Czech Academy of Science, Praha 8, (Czech Republic)

    2000-07-01

    The equilibration rate for multispecies fluids is examined using thermal lattice Boltzmann simulations. Two-dimensional free-decay simulations are performed for effects of velocity shear layer turbulence on sharp temperature profiles. In particular, parameters are so chosen that the lighter species is turbulent while the heavier species is laminar--and so its vorticity layers would simply decay and diffuse in time. With species coupling, however, there is velocity equilibration followed by the final relaxation to one large co- and one large counter-rotating vortex. The temperature equilibration proceeds on a slower time scale and is in good agreement with the theoretical order of magnitude estimate of Morse [Phys. Fluids 6, 1420 (1963)]. (c) 2000 The American Physical Society.

  6. Applied multidimensional scaling and unfolding

    CERN Document Server

    Borg, Ingwer; Mair, Patrick

    2018-01-01

    This book introduces multidimensional scaling (MDS) and unfolding as data analysis techniques for applied researchers. MDS is used for the analysis of proximity data on a set of objects, representing the data as distances between points in a geometric space (usually of two dimensions). Unfolding is a related method that maps preference data (typically evaluative ratings of different persons on a set of objects) as distances between two sets of points (representing the persons and the objects, resp.). This second edition has been completely revised to reflect new developments and the coverage of unfolding has also been substantially expanded. Intended for applied researchers whose main interests are in using these methods as tools for building substantive theories, it discusses numerous applications (classical and recent), highlights practical issues (such as evaluating model fit), presents ways to enforce theoretical expectations for the scaling solutions, and addresses the typical mistakes that MDS/unfoldin...

  7. Unfolding and smoothing applied to the quality enhancement of neutron tomographic images

    International Nuclear Information System (INIS)

    Almeida, Gevaldo L. de; Silvani, Maria I.; Lopes, Ricardo T.

    2008-01-01

    Resolution and contrast are the major parameters defining the quality of a computer-aided tomographic image. These parameters depend upon several features of the image acquisition system, such as detector resolution, geometrical arrangement of the source-object-detector, beam divergence, source strength, detector efficiency and counting time. Roughly, the detector finite resolution is the main source of systematic errors affecting the separation power of the image acquisition system, while the electronic noise and statistical fluctuation are responsible for the data dispersion, which spoils the contrast. An algorithm has been developed in this work aiming at the improvement of the image quality through the minimization of both types of errors. The systematic ones are reduced by a mathematical unfolding of the position spectra - used as projections to reconstruct the 2D-images - using the Line Spread Function - LSF of the neutron tomographic system. The principle behind this technique is that every single channel contains information about all channels of the spectrum, but it is concealed due to the automatic integration carried out by the detector. Therefore, knowing the shape of this curve, it is possible to retrieve the original spectra. These spectra are unfortunately corrupted by the unavoidable statistical fluctuation, and by oscillations arising from the unfolding process, which strongly affects the quality of the final unfolded image. In order to reduce this impact, the spectra have been filtered by a Fourier transform technique or smoothed with a least square fitting procedure. The algorithm has been applied to spectra of some test-bodies generated by an earlier developed tomographic simulator, which reproduces the spectra furnished by a thermal neutron tomographic system employing a position sensitive detector. The obtained results have shown that the unfolded spectra produce final images capable to resolve features otherwise not achievable with the

  8. CFD simulation of a cabin thermal environment with and without human body - thermal comfort evaluation

    Science.gov (United States)

    Danca, Paul; Bode, Florin; Nastase, Ilinca; Meslem, Amina

    2018-02-01

    Nowadays, thermal comfort became one of the criteria in choosing a vehicle. In last decades time spent by people in vehicles had risen substantially. During each trip, thermal comfort must to be ensured for a good psychological and physical state of the passengers. Also, a comfortable environment leads to a higher power concentration of the driver thereby to a safe trip for vehicle occupants and for all traffic participants. The present study numerically investigated the effect of human body sited in the driver's place, over the air velocity distribution and over the thermal comfort in a passenger compartment. CFD simulations were made with different angles of the left inlet grill, in both cases, with and without driver presence. In majority of the actual vehicles environment studies, are made without consideration of human body geometry, in this case, the results precision can be affected. The results show that the presence of human body, lead to global changing of the whole flow pattern inside the vehicular cabin. Also, the locations of the maximum velocities are changing with the angle of the guiding vanes. The thermal comfort PMV/PPD indexes were calculated for each case. The presence of human body leads to a more comfortable environment.

  9. Iterative nonlinear unfolding code: TWOGO

    International Nuclear Information System (INIS)

    Hajnal, F.

    1981-03-01

    a new iterative unfolding code, TWOGO, was developed to analyze Bonner sphere neutron measurements. The code includes two different unfolding schemes which alternate on successive iterations. The iterative process can be terminated either when the ratio of the coefficient of variations in terms of the measured and calculated responses is unity, or when the percentage difference between the measured and evaluated sphere responses is less than the average measurement error. The code was extensively tested with various known spectra and real multisphere neutron measurements which were performed inside the containments of pressurized water reactors

  10. Neutron spectrum unfolding: Pt. 2

    International Nuclear Information System (INIS)

    Matiullah; Wiyaja, D.S.; Berzonis, M.A.; Bondars, H.; Lapenas, A.A.; Kudo, K.; Majeed, A.; Durrani, S.A.

    1991-01-01

    In Part I of this paper, we described the use of the computer code SAIPS in neutron spectrum unfolding. Here in Part II, we present our experimental work carried out to study the shape of the neutron spectrum in different experimental channels of a 5 MW light-water cooled and moderated research reactor. The spectral neutron flux was determined using various fission foils (placed in close contact with mica track detectors) and activation detectors. From the measured activities, the neutron spectrum was unfolded by SAIPS. (author)

  11. Numerical Simulation of Non-Thermal Food Preservation

    Science.gov (United States)

    Rauh, C.; Krauss, J.; Ertunc, Ö.; Delgado, a.

    2010-09-01

    Food preservation is an important process step in food technology regarding product safety and product quality. Novel preservation techniques are currently developed, that aim at improved sensory and nutritional value but comparable safety than in conventional thermal preservation techniques. These novel non-thermal food preservation techniques are based for example on high pressures up to one GPa or pulsed electric fields. in literature studies the high potential of high pressures (HP) and of pulsed electric fields (PEF) is shown due to their high retention of valuable food components as vitamins and flavour and selective inactivation of spoiling enzymes and microorganisms. for the design of preservation processes based on the non-thermal techniques it is crucial to predict the effect of high pressure and pulsed electric fields on the food components and on the spoiling enzymes and microorganisms locally and time-dependent in the treated product. Homogenous process conditions (especially of temperature fields in HP and PEF processing and of electric fields in PEF) are aimed at to avoid the need of over-processing and the connected quality loss and to minimize safety risks due to under-processing. the present contribution presents numerical simulations of thermofluiddynamical phenomena inside of high pressure autoclaves and pulsed electric field treatment chambers. in PEF processing additionally the electric fields are considered. Implementing kinetics of occurring (bio-) chemical reactions in the numerical simulations of the temperature, flow and electric fields enables the evaluation of the process homogeneity and efficiency connected to different process parameters of the preservation techniques. Suggestions to achieve safe and high quality products are concluded out of the numerical results.

  12. Simulation and parametric optimisation of thermal power plant cycles

    Directory of Open Access Journals (Sweden)

    P. Ravindra Kumar

    2016-09-01

    Full Text Available The objective of the paper is to analyse parametric studies and optimum steam extraction pressures of three different (subcritical, supercritical and ultra-supercritical coal fired power plant cycles at a particular main steam temperature of 600 °C by keeping the reheat temperature at 537 °C and condenser pressure at 0.09 bar as constant. In order to maximize the heat rate gain possible with supercritical and ultra-supercritical steam conditions, eight stages of feed water heater arrangement with single reheater is considered. The system is optimized in such a way that the percentage exergetic losses are reduced for the increase of the exergetic efficiency and higher fuel utilization. The plant cycles are simulated and optimized by using Cycle Tempo 5.0 simulation software tool. From the simulation study, it is observed that the thermal efficiency of the three different power plant cycles obtained as 41.40, 42.48 and 43.03%, respectively. The specific coal consumption for three different power plant cycles are 0.56, 0.55 and 0.54 Tonnes/MWh. The improvement in feed water temperatures at the inlet of steam generator of respective cycles are 291, 305 and 316 °C.

  13. A Temperature-Dependent Thermal Model of IGBT Modules Suitable for Circuit-Level Simulations

    DEFF Research Database (Denmark)

    Wu, Rui; Wang, Huai; Pedersen, Kristian Bonderup

    2016-01-01

    A basic challenge in the IGBT transient simulation study is to obtain the realistic junction temperature, which demands not only accurate electrical simulations but also precise thermal impedance. This paper proposed a transient thermal model for IGBT junction temperature simulations during short...

  14. Development of isothermal-isobaric replica-permutation method for molecular dynamics and Monte Carlo simulations and its application to reveal temperature and pressure dependence of folded, misfolded, and unfolded states of chignolin

    Science.gov (United States)

    Yamauchi, Masataka; Okumura, Hisashi

    2017-11-01

    We developed a two-dimensional replica-permutation molecular dynamics method in the isothermal-isobaric ensemble. The replica-permutation method is a better alternative to the replica-exchange method. It was originally developed in the canonical ensemble. This method employs the Suwa-Todo algorithm, instead of the Metropolis algorithm, to perform permutations of temperatures and pressures among more than two replicas so that the rejection ratio can be minimized. We showed that the isothermal-isobaric replica-permutation method performs better sampling efficiency than the isothermal-isobaric replica-exchange method and infinite swapping method. We applied this method to a β-hairpin mini protein, chignolin. In this simulation, we observed not only the folded state but also the misfolded state. We calculated the temperature and pressure dependence of the fractions on the folded, misfolded, and unfolded states. Differences in partial molar enthalpy, internal energy, entropy, partial molar volume, and heat capacity were also determined and agreed well with experimental data. We observed a new phenomenon that misfolded chignolin becomes more stable under high-pressure conditions. We also revealed this mechanism of the stability as follows: TYR2 and TRP9 side chains cover the hydrogen bonds that form a β-hairpin structure. The hydrogen bonds are protected from the water molecules that approach the protein as the pressure increases.

  15. Initial Operation of the Nuclear Thermal Rocket Element Environmental Simulator

    Science.gov (United States)

    Emrich, William J., Jr.; Pearson, J. Boise; Schoenfeld, Michael P.

    2015-01-01

    The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility is designed to perform realistic non-nuclear testing of nuclear thermal rocket (NTR) fuel elements and fuel materials. Although the NTREES facility cannot mimic the neutron and gamma environment of an operating NTR, it can simulate the thermal hydraulic environment within an NTR fuel element to provide critical information on material performance and compatibility. The NTREES facility has recently been upgraded such that the power capabilities of the facility have been increased significantly. At its present 1.2 MW power level, more prototypical fuel element temperatures nay now be reached. The new 1.2 MW induction heater consists of three physical units consisting of a transformer, rectifier, and inverter. This multiunit arrangement facilitated increasing the flexibility of the induction heater by more easily allowing variable frequency operation. Frequency ranges between 20 and 60 kHz can accommodated in the new induction heater allowing more representative power distributions to be generated within the test elements. The water cooling system was also upgraded to so as to be capable of removing 100% of the heat generated during testing In this new higher power configuration, NTREES will be capable of testing fuel elements and fuel materials at near-prototypic power densities. As checkout testing progressed and as higher power levels were achieved, several design deficiencies were discovered and fixed. Most of these design deficiencies were related to stray RF energy causing various components to encounter unexpected heating. Copper shielding around these components largely eliminated these problems. Other problems encountered involved unexpected movement in the coil due to electromagnetic forces and electrical arcing between the coil and a dummy test article. The coil movement and arcing which were encountered during the checkout testing effectively destroyed the induction coil in use at

  16. Mathematical modeling and simulation of a thermal system

    Science.gov (United States)

    Toropoc, Mirela; Gavrila, Camelia; Frunzulica, Rodica; Toma, Petrica D.

    2016-12-01

    The aim of the present paper is the conception of a mathematical model and simulation of a system formed by a heatexchanger for domestic hot water preparation, a storage tank for hot water and a radiator, starting from the mathematical equations describing this system and developed using Scilab-Xcos program. The model helps to determine the evolution in time for the hot water temperature, for the return temperature in the primary circuit of the heat exchanger, for the supply temperature in the secondary circuit, the thermal power for heating and for hot water preparation to the consumer respectively. In heating systems, heat-exchangers have an important role and their performances influence the energy efficiency of the systems. In the meantime, it is very important to follow the behavior of such systems in dynamic regimes. Scilab-Xcos program can be utilized to follow the important parameters of the systems in different functioning scenarios.

  17. Computer aided analysis, simulation and optimisation of thermal sterilisation processes.

    Science.gov (United States)

    Narayanan, C M; Banerjee, Arindam

    2013-04-01

    Although thermal sterilisation is a widely employed industrial process, little work is reported in the available literature including patents on the mathematical analysis and simulation of these processes. In the present work, software packages have been developed for computer aided optimum design of thermal sterilisation processes. Systems involving steam sparging, jacketed heating/cooling, helical coils submerged in agitated vessels and systems that employ external heat exchangers (double pipe, shell and tube and plate exchangers) have been considered. Both batch and continuous operations have been analysed and simulated. The dependence of del factor on system / operating parameters such as mass or volume of substrate to be sterilised per batch, speed of agitation, helix diameter, substrate to steam ratio, rate of substrate circulation through heat exchanger and that through holding tube have been analysed separately for each mode of sterilisation. Axial dispersion in the holding tube has also been adequately accounted for through an appropriately defined axial dispersion coefficient. The effect of exchanger characteristics/specifications on the system performance has also been analysed. The multiparameter computer aided design (CAD) software packages prepared are thus highly versatile in nature and they permit to make the most optimum choice of operating variables for the processes selected. The computed results have been compared with extensive data collected from a number of industries (distilleries, food processing and pharmaceutical industries) and pilot plants and satisfactory agreement has been observed between the two, thereby ascertaining the accuracy of the CAD softwares developed. No simplifying assumptions have been made during the analysis and the design of associated heating / cooling equipment has been performed utilising the most updated design correlations and computer softwares.

  18. Neutron spectrum unfolding using computer code SAIPS

    International Nuclear Information System (INIS)

    Karim, S.

    1999-01-01

    The main objective of this project was to study the neutron energy spectrum at rabbit station-1 in Pakistan Research Reactor (PARR-I). To do so, multiple foils activation method was used to get the saturated activities. The computer code SAIPS was used to unfold the neutron spectra from the measured reaction rates. Of the three built in codes in SAIPS, only SANDI and WINDOWS were used. Contribution of thermal part of the spectra was observed to be higher than the fast one. It was found that the WINDOWS gave smooth spectra while SANDII spectra have violet oscillations in the resonance region. The uncertainties in the WINDOWS results are higher than those of SANDII. The results show reasonable agreement with the published results. (author)

  19. [Unfolding item response model using best-worst scaling].

    Science.gov (United States)

    Ikehara, Kazuya

    2015-02-01

    In attitude measurement and sensory tests, the unfolding model is typically used. In this model, response probability is formulated by the distance between the person and the stimulus. In this study, we proposed an unfolding item response model using best-worst scaling (BWU model), in which a person chooses the best and worst stimulus among repeatedly presented subsets of stimuli. We also formulated an unfolding model using best scaling (BU model), and compared the accuracy of estimates between the BU and BWU models. A simulation experiment showed that the BWU modell performed much better than the BU model in terms of bias and root mean square errors of estimates. With reference to Usami (2011), the proposed models were apllied to actual data to measure attitudes toward tardiness. Results indicated high similarity between stimuli estimates generated with the proposed models and those of Usami (2011).

  20. High performance thermal stress analysis on the earth simulator

    International Nuclear Information System (INIS)

    Noriyuki, Kushida; Hiroshi, Okuda; Genki, Yagawa

    2003-01-01

    In this study, the thermal stress finite element analysis code optimized for the earth simulator was developed. A processor node of which of the earth simulator is the 8-way vector processor, and each processor can communicate using the message passing interface. Thus, there are two ways to parallelize the finite element method on the earth simulator. The first method is to assign one processor for one sub-domain, and the second method is to assign one node (=8 processors) for one sub-domain considering the shared memory type parallelization. Considering that the preconditioned conjugate gradient (PCG) method, which is one of the suitable linear equation solvers for the large-scale parallel finite element methods, shows the better convergence behavior if the number of domains is the smaller, we have determined to employ PCG and the hybrid parallelization, which is based on the shared and distributed memory type parallelization. It has been said that it is hard to obtain the good parallel or vector performance, since the finite element method is based on unstructured grids. In such situation, the reordering is inevitable to improve the computational performance [2]. In this study, we used three reordering methods, i.e. Reverse Cuthil-McKee (RCM), cyclic multicolor (CM) and diagonal jagged descending storage (DJDS)[3]. RCM provides the good convergence of the incomplete lower-upper (ILU) PCG, but causes the load imbalance. On the other hand, CM provides the good load balance, but worsens the convergence of ILU PCG if the vector length is so long. Therefore, we used the combined-method of RCM and CM. DJDS is the method to store the sparse matrices such that longer vector length can be obtained. For attaining the efficient inter-node parallelization, such partitioning methods as the recursive coordinate bisection (RCM) or MeTIS have been used. Computational performance of the practical large-scale engineering problems will be shown at the meeting. (author)

  1. Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

    KAUST Repository

    Sun, Sheng; Yin, Guangyao; Lee, Yi-Kuen; Wong, Joseph T.Y.; Zhang, Tong-Yi

    2011-01-01

    Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium

  2. Enthalpy-entropy compensation in protein unfolding

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Enthalpy-entropy compensation was found to be a universal law in protein unfolding based on over 3 000 experimental data. Water molecular reorganization accompanying the protein unfolding was suggested as the origin of the enthalpy-entropy compensation in protein unfolding. It is indicated that the enthalpy-entropy compensation constitutes the physical foundation that satisfies the biological need of the small free energy changes in protein unfolding, without the sacrifice of the bio-diversity of proteins. The enthalpy-entropy compensation theory proposed herein also provides valuable insights into the Privalov's puzzle of enthalpy and entropy convergence in protein unfolding.

  3. Unfolding four-helix bundles

    Science.gov (United States)

    Gray, Harry B.; Winkler, Jay R.; Kozak, John J.

    2011-03-01

    A geometrical model has been developed to describe the early stages of unfolding of cytochromes c‧ and c-b562 . Calculations are based on a step-wise extension of the polypeptide chain subject to the constraint that the spatial relationship among the residues of each triplet is fixed by the native-state crystallographic data. The response of each protein to these structural perturbations allows the evolution of each of the four helices in these two proteins to be differentiated. It is found that the two external helices in c‧ unfold before its two internal helices, whereas exactly the opposite behaviour is demonstrated by c-b562 . Each of these cytochromes has an extended, internal, non-helical ('turning') region that initially lags behind the most labile helix but then, at a certain stage (identified for each cytochrome), unravels before any of the four helices present in the native structure. It is believed that these predictions will be useful in guiding future experimental studies on the unfolding of these two cytochromes.

  4. Deep Unfolding for Topic Models.

    Science.gov (United States)

    Chien, Jen-Tzung; Lee, Chao-Hsi

    2018-02-01

    Deep unfolding provides an approach to integrate the probabilistic generative models and the deterministic neural networks. Such an approach is benefited by deep representation, easy interpretation, flexible learning and stochastic modeling. This study develops the unsupervised and supervised learning of deep unfolded topic models for document representation and classification. Conventionally, the unsupervised and supervised topic models are inferred via the variational inference algorithm where the model parameters are estimated by maximizing the lower bound of logarithm of marginal likelihood using input documents without and with class labels, respectively. The representation capability or classification accuracy is constrained by the variational lower bound and the tied model parameters across inference procedure. This paper aims to relax these constraints by directly maximizing the end performance criterion and continuously untying the parameters in learning process via deep unfolding inference (DUI). The inference procedure is treated as the layer-wise learning in a deep neural network. The end performance is iteratively improved by using the estimated topic parameters according to the exponentiated updates. Deep learning of topic models is therefore implemented through a back-propagation procedure. Experimental results show the merits of DUI with increasing number of layers compared with variational inference in unsupervised as well as supervised topic models.

  5. Simulation of the diffusion of implanted impurities in silicon structures at the rapid thermal annealing

    International Nuclear Information System (INIS)

    Komarov, F.F.; Komarov, A.F.; Mironov, A.M.; Makarevich, Yu.V.; Miskevich, S.A.; Zayats, G.M.

    2011-01-01

    Physical and mathematical models and numerical simulation of the diffusion of implanted impurities during rapid thermal treatment of silicon structures are discussed. The calculation results correspond to the experimental results with a sufficient accuracy. A simulation software system has been developed that is integrated into ATHENA simulation system developed by Silvaco Inc. This program can simulate processes of the low-energy implantation of B, BF 2 , P, As, Sb, C ions into the silicon structures and subsequent rapid thermal annealing. (authors)

  6. Molecular Dynamic Simulation of High Thermal Conductivity Synthetic Spider Silk for Thermal Management in Space

    Data.gov (United States)

    National Aeronautics and Space Administration — Thermal management is crucial to space technology. Because electronic and other thermally sensitive materials will be located in an essentially airless environment,...

  7. Folding and unfolding pathway of chaperonin GroEL monomer and elucidation of thermodynamic parameters.

    Science.gov (United States)

    Puri, Sarita; Chaudhuri, Tapan K

    2017-03-01

    The conformation and thermodynamic stability of monomeric GroEL were studied by CD and fluorescence spectroscopy. GroEL denaturation with urea and dilution in buffer leads to formation of a folded GroEL monomer. The monomeric nature of this protein was verified by size-exclusion chromatography and native PAGE. It has a well-defined secondary and tertiary structure, folding activity (prevention of aggregation) for substrate protein and is resistant to proteolysis. Being a properly folded and reversibly refoldable, monomeric GroEL is amenable for the study of thermodynamic stability by unfolding transition methods. We present the equilibrium unfolding of monomeric GroEL as studied by urea and heat mediated unfolding processes. The urea mediated unfolding shows two transitions and a single transition in the heat mediated unfolding process. In the case of thermal unfolding, some residual structure unfolds at a higher temperature (70-75°C). The process of folding/unfolding is reversible in both cases. Analysis of folding/unfolding data provides a measure of ΔG NU H 2 O , T m , ΔH van and ΔS van of monomeric GroEL. The thermodynamic stability parameter ΔG NU H 2 O is similar with both CD and intrinsic fluorescence i.e. 7.10±1.0kcal/mol. The calculated T m , ΔH van and ΔS van from the thermal unfolding transition is 46±0.5°C, 43.3±0.1kcal/mol and 143.9±0.1cal/mol/k respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Thermal comfort in residential buildings: Comfort values and scales for building energy simulation

    NARCIS (Netherlands)

    Peeters, L.F.R.; Dear, de R.; Hensen, J.L.M.; D'Haeseleer, W.

    2009-01-01

    Building Energy Simulation (BES) programmes often use conventional thermal comfort theories to make decisions, whilst recent research in the field of thermal comfort clearly shows that important effects are not incorporated. The conventional theories of thermal comfort were set up based on steady

  9. Weldability prediction of high strength steel S960QL after weld thermal cycle simulation

    Directory of Open Access Journals (Sweden)

    M. Dunđer

    2014-10-01

    Full Text Available This paper presents weld thermal cycle simulation of high strength steel S960QL, and describes influence of cooling time t8/5 on hardness and impact toughness of weld thermal cycle simulated specimens. Furthermore, it presents analysis of characteristic fractions done by electron scanning microscope which can contribute to determination of welding parameters for S960QL steel.

  10. BUMS--Bonner sphere Unfolding Made Simple an HTML based multisphere neutron spectrometer unfolding package

    CERN Document Server

    Sweezy, J; Veinot, K

    2002-01-01

    A new multisphere neutron spectrometer unfolding package, Bonner sphere Unfolding Made Simple (BUMS) has been developed that uses an HTML interface to simplify data input and code execution for the novice and the advanced user. This new unfolding package combines the unfolding algorithms contained in other popular unfolding codes under one easy to use interface. The interface makes use of web browsing software to provide a graphical user interface to the unfolding algorithms. BUMS integrates the SPUNIT, BON, MAXIET, and SAND-II unfolding algorithms into a single package. This package also includes a library of 14 response matrices, 58 starting spectra, and 24 dose and detector responses. BUMS has several improvements beyond the addition of unfolding algorithms. It has the ability to search for the most appropriate starting spectra. Also, plots of the unfolded neutron spectra are automatically generated. The BUMS package runs via a web server and may be accessed by any computer with access to the Internet at h...

  11. Geosynthetic clay liners shrinkage under simulated daily thermal cycles.

    Science.gov (United States)

    Sarabadani, Hamid; Rayhani, Mohammad T

    2014-06-01

    Geosynthetic clay liners are used as part of composite liner systems in municipal solid waste landfills and other applications to restrict the escape of contaminants into the surrounding environment. This is attainable provided that the geosynthetic clay liner panels continuously cover the subsoil. Previous case histories, however, have shown that some geosynthetic clay liner panels are prone to significant shrinkage and separation when an overlying geomembrane is exposed to solar radiation. Experimental models were initiated to evaluate the potential shrinkage of different geosynthetic clay liner products placed over sand and clay subsoils, subjected to simulated daily thermal cycles (60°C for 8 hours and 22°C for 16 hours) modelling field conditions in which the liner is exposed to solar radiation. The variation of geosynthetic clay liner shrinkage was evaluated at specified times by a photogrammetry technique. The manufacturing techniques, the initial moisture content, and the aspect ratio (ratio of length to width) of the geosynthetic clay liner were found to considerably affect the shrinkage of geosynthetic clay liners. The particle size distribution of the subsoil and the associated suction at the geosynthetic clay liner-subsoil interface was also found to have significant effects on the shrinkage of the geosynthetic clay liner. © The Author(s) 2014.

  12. Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells

    Energy Technology Data Exchange (ETDEWEB)

    Santhanagopalan, Shriram; Zhang, Chao; Sprague, Michael A.; Pesaran, Ahmad

    2016-06-01

    Models capture the force response for single-cell and cell-string levels to within 15%-20% accuracy and predict the location for the origin of failure based on the deformation data from the experiments. At the module level, there is some discrepancy due to poor mechanical characterization of the packaging material between the cells. The thermal response (location and value of maximum temperature) agrees qualitatively with experimental data. In general, the X-plane results agree with model predictions to within 20% (pending faulty thermocouples, etc.); the Z-plane results show a bigger variability both between the models and test-results, as well as among multiple repeats of the tests. The models are able to capture the timing and sequence in voltage drop observed in the multi-cell experiments; the shapes of the current and temperature profiles need more work to better characterize propagation. The cells within packaging experience about 60% less force under identical impact test conditions, so the packaging on the test articles is robust. However, under slow-crush simulations, the maximum deformation of the cell strings with packaging is about twice that of cell strings without packaging.

  13. Nuclear Thermal Rocket Element Environmental Simulator (NTREES) Upgrade Activities

    Science.gov (United States)

    Emrich, William J., Jr.

    2014-01-01

    Over the past year the Nuclear Thermal Rocket Element Environmental Simulator (NTREES) has been undergoing a significant upgrade beyond its initial configuration. The NTREES facility is designed to perform realistic non-nuclear testing of nuclear thermal rocket (NTR) fuel elements and fuel materials. Although the NTREES facility cannot mimic the neutron and gamma environment of an operating NTR, it can simulate the thermal hydraulic environment within an NTR fuel element to provide critical information on material performance and compatibility. The first phase of the upgrade activities which was completed in 2012 in part consisted of an extensive modification to the hydrogen system to permit computer controlled operations outside the building through the use of pneumatically operated variable position valves. This setup also allows the hydrogen flow rate to be increased to over 200 g/sec and reduced the operation complexity of the system. The second stage of modifications to NTREES which has just been completed expands the capabilities of the facility significantly. In particular, the previous 50 kW induction power supply has been replaced with a 1.2 MW unit which should allow more prototypical fuel element temperatures to be reached. The water cooling system was also upgraded to so as to be capable of removing 100% of the heat generated during. This new setup required that the NTREES vessel be raised onto a platform along with most of its associated gas and vent lines. In this arrangement, the induction heater and water systems are now located underneath the platform. In this new configuration, the 1.2 MW NTREES induction heater will be capable of testing fuel elements and fuel materials in flowing hydrogen at pressures up to 1000 psi at temperatures up to and beyond 3000 K and at near-prototypic reactor channel power densities. NTREES is also capable of testing potential fuel elements with a variety of propellants, including hydrogen with additives to inhibit

  14. Design and simulation of a low concentrating photovoltaic/thermal system

    International Nuclear Information System (INIS)

    Rosell, J.I.; Vallverdu, X.; Lechon, M.A.; Ibanez, M.

    2005-01-01

    The advantages of photovoltaic/thermal (PV/T) collectors and low solar concentration technologies are combined into a photovoltaic/thermal system to increase the solar energy conversion efficiency. This paper presents a prototype 11X concentration rate and two axis tracking system. The main novelty is the coupling of a linear Fresnel concentrator with a channel photovoltaic/thermal collector. An analytical model to simulate the thermal behaviour of the prototype is proposed and validated. Measured thermal performance of the solar system gives values above 60%. Theoretical analysis confirms that thermal conduction between the PV cells and the absorber plate is a critical parameter

  15. Analytical tools for thermal infrared engineerig: a thermal sensor simulation package

    Science.gov (United States)

    Jaggi, Sandeep

    1992-09-01

    The Advanced Sensor Development Laboratory (ASDL) at the Stennis Space Center develops, maintains and calibrates remote sensing instruments for the National Aeronautics & Space Administration. To perform system design trade-offs, analysis, and establish system parameters, ASDL has developed a software package for analytical simulation of sensor systems. This package called 'Analytical Tools for Thermal InfraRed Engineering'--ATTIRE, simulates the various components of a sensor system. The software allows each subsystem of the sensor to be analyzed independently for its performance. These performance parameters are then integrated to obtain system level information such as SNR, NER, NETD etc. This paper describes the uses of the package and the physics that were used to derive the performance parameters. In addition, ATTIRE can be used as a tutorial for understanding the distribution of thermal flux or solar irradiance over selected bandwidths of the spectrum. This spectrally distributed incident flux can then be analyzed as it propagates through the subsystems that constitute the entire sensor. ATTIRE provides a variety of functions ranging from plotting black-body curves for varying bandwidths and computing the integral flux, to performing transfer function analysis of the sensor system. The package runs from a menu- driven interface in a PC-DOS environment. Each sub-system of the sensor is represented by windows and icons. A user-friendly mouse-controlled point-and-click interface allows the user to simulate various aspects of a sensor. The package can simulate a theoretical sensor system. Trade-off studies can be easily done by changing the appropriate parameters and monitoring the effect of the system performance. The package can provide plots of system performance versus any system parameter. A parameter (such as the entrance aperture of the optics) could be varied and its effect on another parameter (e.g., NETD) can be plotted. A third parameter (e.g., the

  16. Highly Perturbed pKa Values in the Unfolded State of Hen Egg White Lysozyme

    OpenAIRE

    Bradley, John; O'Meara, Fergal; Farrell, Damien; Nielsen, Jens Erik

    2012-01-01

    The majority of pKa values in protein unfolded states are close to the amino acid model pKa values, thus reflecting the weak intramolecular interactions present in the unfolded ensemble of most proteins. We have carried out thermal denaturation measurements on the WT and eight mutants of HEWL from pH 1.5 to pH 11.0 to examine the unfolded state pKa values and the pH dependence of protein stability for this enzyme. The availability of accurate pKa values for the folded state of HEWL and separa...

  17. Amyloid protein unfolding and insertion kinetics on neuronal membrane mimics

    Science.gov (United States)

    Qiu, Liming; Buie, Creighton; Vaughn, Mark; Cheng, Kwan

    2010-03-01

    Atomistic details of beta-amyloid (Aβ ) protein unfolding and lipid interaction kinetics mediated by the neuronal membrane surface are important for developing new therapeutic strategies to prevent and cure Alzheimer's disease. Using all-atom MD simulations, we explored the early unfolding and insertion kinetics of 40 and 42 residue long Aβ in binary lipid mixtures with and without cholesterol that mimic the cholesterol-depleted and cholesterol-enriched lipid nanodomains of neurons. The protein conformational transition kinetics was evaluated from the secondary structure profile versus simulation time plot. The extent of membrane disruption was examined by the calculated order parameters of lipid acyl chains and cholesterol fused rings as well as the density profiles of water and lipid headgroups at defined regions across the lipid bilayer from our simulations. Our results revealed that both the cholesterol content and the length of the protein affect the protein-insertion and membrane stability in our model lipid bilayer systems.

  18. Thermal Simulation of Switching Pulses in an Insulated Gate Bipolar Transistor (IGBT) Power Module

    Science.gov (United States)

    2015-02-01

    executed with SolidWorks Flow Simulation , a computational fluid-dynamics code. The graph in Fig. 2 shows the timing and amplitudes of power pulses...defined a convective flow of air perpendicular to the bottom surface of the mounting plate, with a velocity of 10 ft/s. The thermal simulations were...Thermal Simulation of Switching Pulses in an Insulated Gate Bipolar Transistor (IGBT) Power Module by Gregory K Ovrebo ARL-TR-7210

  19. Thermal phase stability of some simulated Defense waste glasses

    International Nuclear Information System (INIS)

    May, R.P.

    1981-04-01

    Three simulated defense waste glass compositions developed by Savannah River Laboratories were studied to determine viscosity and compositional effects on the comparative thermal phase stabilities of these glasses. The glass compositions are similar except that the 411 glasses are high in lithium and low in sodium compared to the 211 glass, and the T glasses are high in iron and low in aluminum compared to the C glass. Specimens of these glasses were heat treated using isothermal anneals as short as 10 min and up to 15 days over the temperature range of 450 0 C to 1100 0 C. Additionally, a specimen of each glass was cooled at a constant cooling rate of 7 0 C/hour from an 1100 0 C melt down to 500 0 C where it was removed from the furnace. The following were observed. The slow cooling rate of 7 0 C/hour is possible as a canister centerline cooling rate for large canisters. Accordingly, it is important to note that a short range diffusion mechanism like cooperative growth phenomena can result in extensive devitrification at lower temperatures and higher yields than a long-range diffusion mechanism can; and can do it without the growth of large crystals that can fracture the glass. Refractory oxides like CeO 2 and (Ni, Mn, Fe) 2 O 4 form very rapidly at higher temperatures than silicates and significant yields can be obtained at sufficiently high temperatures that settling of these dense phases becomes a major microstructural feature during slow cooling of some glasses. These annealing studies further show that below 500 0 C there is but little devitrification occurring implying that glass canisters stored at 300 0 C may be kinetically stable despite not being thermodynamically so

  20. Thermal phase stability of some simulated Defense waste glasses

    Energy Technology Data Exchange (ETDEWEB)

    May, R.P.

    1981-04-01

    Three simulated defense waste glass compositions developed by Savannah River Laboratories were studied to determine viscosity and compositional effects on the comparative thermal phase stabilities of these glasses. The glass compositions are similar except that the 411 glasses are high in lithium and low in sodium compared to the 211 glass, and the T glasses are high in iron and low in aluminum compared to the C glass. Specimens of these glasses were heat treated using isothermal anneals as short as 10 min and up to 15 days over the temperature range of 450/sup 0/C to 1100/sup 0/C. Additionally, a specimen of each glass was cooled at a constant cooling rate of 7/sup 0/C/hour from an 1100/sup 0/C melt down to 500/sup 0/C where it was removed from the furnace. The following were observed. The slow cooling rate of 7/sup 0/C/hour is possible as a canister centerline cooling rate for large canisters. Accordingly, it is important to note that a short range diffusion mechanism like cooperative growth phenomena can result in extensive devitrification at lower temperatures and higher yields than a long-range diffusion mechanism can; and can do it without the growth of large crystals that can fracture the glass. Refractory oxides like CeO/sub 2/ and (Ni, Mn, Fe)/sub 2/O/sub 4/ form very rapidly at higher temperatures than silicates and significant yields can be obtained at sufficiently high temperatures that settling of these dense phases becomes a major microstructural feature during slow cooling of some glasses. These annealing studies further show that below 500/sup 0/C there is but little devitrification occurring implying that glass canisters stored at 300/sup 0/C may be kinetically stable despite not being thermodynamically so.

  1. Thermal dynamic simulation of wall for building energy efficiency under varied climate environment

    Science.gov (United States)

    Wang, Xuejin; Zhang, Yujin; Hong, Jing

    2017-08-01

    Aiming at different kind of walls in five cities of different zoning for thermal design, using thermal instantaneous response factors method, the author develops software to calculation air conditioning cooling load temperature, thermal response factors, and periodic response factors. On the basis of the data, the author gives the net work analysis about the influence of dynamic thermal of wall on air-conditioning load and thermal environment in building of different zoning for thermal design regional, and put forward the strategy how to design thermal insulation and heat preservation wall base on dynamic thermal characteristic of wall under different zoning for thermal design regional. And then provide the theory basis and the technical references for the further study on the heat preservation with the insulation are in the service of energy saving wall design. All-year thermal dynamic load simulating and energy consumption analysis for new energy-saving building is very important in building environment. This software will provide the referable scientific foundation for all-year new thermal dynamic load simulation, energy consumption analysis, building environment systems control, carrying through farther research on thermal particularity and general particularity evaluation for new energy -saving walls building. Based on which, we will not only expediently design system of building energy, but also analyze building energy consumption and carry through scientific energy management. The study will provide the referable scientific foundation for carrying through farther research on thermal particularity and general particularity evaluation for new energy saving walls building.

  2. Simulation of thermo-Elastics Properties of Thermal Barrier Coatings ...

    African Journals Online (AJOL)

    Thermal barrier coatings are used to protect different parts in compressors and turbines from heat. They are generally composed of two layers, one metallic layer providing resistance to heat corrosion and oxidation, and one thermally insulating ceramic layer. Two different techniques are industrially used. Plasma spray ...

  3. Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

    International Nuclear Information System (INIS)

    Bresme, F.; Armstrong, J.

    2014-01-01

    We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation

  4. Simulation and experimental study of thermal performance of a ...

    Indian Academy of Sciences (India)

    of a building roof with a phase change material (PCM) .... ware model of concrete roof without cylindrical holes and PRO-E software model concrete roof .... John Kosnya, Kaushik Biswas, William Miller and Scott Kriner 2012 Field thermal ...

  5. Coupled Aeroheating and Ablative Thermal Response Simulation Tool

    Data.gov (United States)

    National Aeronautics and Space Administration — The thermal protection system (TPS) performance requirements for atmospheric entry vehicles on current and future NASA missions preclude the use of heritage reusable...

  6. Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Bresme, F., E-mail: f.bresme@imperial.ac.uk [Chemical Physics Section, Department of Chemistry, Imperial College, London SW7 2AZ, United Kingdom and Department of Chemistry, Norwegian University of Science and Technology, Trondheim 7491 (Norway); Biddle, J. W.; Sengers, J. V.; Anisimov, M. A. [Institute for Physical Science and Technology, and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2014-04-28

    We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures.

  7. Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

    International Nuclear Information System (INIS)

    Bresme, F.; Biddle, J. W.; Sengers, J. V.; Anisimov, M. A.

    2014-01-01

    We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures

  8. PCB-level Electro thermal Coupling Simulation Analysis

    Science.gov (United States)

    Zhou, Runjing; Shao, Xuchen

    2017-10-01

    Power transmission network needs to transmit more current with the increase of the power density. The problem of temperature rise and the reliability is becoming more and more serious. In order to accurately design the power supply system, we must consider the influence of the power supply system including Joule heat, air convection and other factors. Therefore, this paper analyzes the relationship between the electric circuit and the thermal circuit on the basis of the theory of electric circuit and thermal circuit.

  9. A linear iterative unfolding method

    International Nuclear Information System (INIS)

    László, András

    2012-01-01

    A frequently faced task in experimental physics is to measure the probability distribution of some quantity. Often this quantity to be measured is smeared by a non-ideal detector response or by some physical process. The procedure of removing this smearing effect from the measured distribution is called unfolding, and is a delicate problem in signal processing, due to the well-known numerical ill behavior of this task. Various methods were invented which, given some assumptions on the initial probability distribution, try to regularize the unfolding problem. Most of these methods definitely introduce bias into the estimate of the initial probability distribution. We propose a linear iterative method (motivated by the Neumann series / Landweber iteration known in functional analysis), which has the advantage that no assumptions on the initial probability distribution is needed, and the only regularization parameter is the stopping order of the iteration, which can be used to choose the best compromise between the introduced bias and the propagated statistical and systematic errors. The method is consistent: 'binwise' convergence to the initial probability distribution is proved in absence of measurement errors under a quite general condition on the response function. This condition holds for practical applications such as convolutions, calorimeter response functions, momentum reconstruction response functions based on tracking in magnetic field etc. In presence of measurement errors, explicit formulae for the propagation of the three important error terms is provided: bias error (distance from the unknown to-be-reconstructed initial distribution at a finite iteration order), statistical error, and systematic error. A trade-off between these three error terms can be used to define an optimal iteration stopping criterion, and the errors can be estimated there. We provide a numerical C library for the implementation of the method, which incorporates automatic

  10. Main factors of thermal fatigue failure induced by thermal striping and total simulation of thermal hydraulic and structural behaviors (research report)

    International Nuclear Information System (INIS)

    Kasahara, Naoto; Muramatsu, Toshiharu

    1999-01-01

    At incomplete mixing area of high temperature and low temperature fluids near the surface of structures, temperature fluctuation of fluid gives thermal fatigue damage to wall structures. This phenomenon is called thermal striping, which becomes sometimes a critical problem in LMFR plants. Since thermal striping phenomenon is characterized by the complex thermohydraulic and thermomechanical coupled problem, conventional evaluation procedures require mock-up experiments. In order to replace them by simulation-base methods, the authors have developed numerical simulation codes and applied them to analyze a tee junction of the PHENIX secondary circuit due to thermal striping phenomenon, in the framework of the IAEA coordinated research program (CRP). Through this analysis, thermohydraulic and thermomechanical mechanism of thermal striping phenomenon was clarified, and main factors on structural integrity was extracted in each stage of thermal striping phenomenon. Furthermore, simulation base evaluation methods were proposed taking above factors of structural integrity into account. Finally, R and D problems were investigated for future development of design evaluation methods. (author)

  11. Uncertainty analysis of dosimetry spectrum unfolding

    International Nuclear Information System (INIS)

    Perey, F.G.

    1977-01-01

    The propagation of uncertainties in the input data is analyzed for the usual dosimetry unfolding solution. A new formulation of the dosimetry unfolding problem is proposed in which the most likely value of the spectrum is obtained. The relationship of this solution to the usual one is discussed

  12. A Thermal Runaway Simulation on a Lithium Titanate Battery and the Battery Module

    Directory of Open Access Journals (Sweden)

    Man Chen

    2015-01-01

    Full Text Available Based on the electrochemical and thermal model, a coupled electro-thermal runaway model was developed and implemented using finite element methods. The thermal decomposition reactions when the battery temperature exceeds the material decomposition temperature were embedded into the model. The temperature variations of a lithium titanate battery during a series of charge-discharge cycles under different current rates were simulated. The results of temperature and heat generation rate demonstrate that the greater the current, the faster the battery temperature is rising. Furthermore, the thermal influence of the overheated cell on surrounding batteries in the module was simulated, and the variation of temperature and heat generation during thermal runaway was obtained. It was found that the overheated cell can induce thermal runaway in other adjacent cells within 3 mm distance in the battery module if the accumulated heat is not dissipated rapidly.

  13. The Modeling and Simulation of Thermal Analysis at Hydro Generator Stator Winding Insulation

    Directory of Open Access Journals (Sweden)

    Mihaela Raduca

    2006-10-01

    Full Text Available This paper presents the modelling and simulation of thermal analysis at hydro generator stator winding. The winding stator is supplied at high voltage of 11 kV for high power hydro generator. To present the thermal analysis for stator winding is presented at supply of coil by 11 kV, when coil is heat and thermal transfer in insulation at ambient temperature.

  14. Multiscale development of a fission gas thermal conductivity model: Coupling atomic, meso and continuum level simulations

    International Nuclear Information System (INIS)

    Tonks, Michael R.; Millett, Paul C.; Nerikar, Pankaj; Du, Shiyu; Andersson, David; Stanek, Christopher R.; Gaston, Derek; Andrs, David; Williamson, Richard

    2013-01-01

    Fission gas production and evolution significantly impact the fuel performance, causing swelling, a reduction in the thermal conductivity and fission gas release. However, typical empirical models of fuel properties treat each of these effects separately and uncoupled. Here, we couple a fission gas release model to a model of the impact of fission gas on the fuel thermal conductivity. To quantify the specific impact of grain boundary (GB) bubbles on the thermal conductivity, we use atomistic and mesoscale simulations. Atomistic molecular dynamic simulations were employed to determine the GB thermal resistance. These values were then used in mesoscale heat conduction simulations to develop a mechanistic expression for the effective GB thermal resistance of a GB containing gas bubbles, as a function of the percentage of the GB covered by fission gas. The coupled fission gas release and thermal conductivity model was implemented in Idaho National Laboratory’s BISON fuel performance code to model the behavior of a 10-pellet LWR fuel rodlet, showing how the fission gas impacts the UO 2 thermal conductivity. Furthermore, additional BISON simulations were conducted to demonstrate the impact of average grain size on both the fuel thermal conductivity and the fission gas release

  15. The fluorescence intensities ratio is not a reliable parameter for evaluation of protein unfolding transitions.

    Science.gov (United States)

    Žoldák, Gabriel; Jancura, Daniel; Sedlák, Erik

    2017-06-01

    Monitoring the fluorescence of proteins, particularly the fluorescence of intrinsic tryptophan residues, is a popular method often used in the analysis of unfolding transitions (induced by temperature, chemical denaturant, and pH) in proteins. The tryptophan fluorescence provides several suitable parameters, such as steady-state fluorescence intensity, apparent quantum yield, mean fluorescence lifetime, position of emission maximum that are often utilized for the observation of the conformational/unfolding transitions of proteins. In addition, the fluorescence intensities ratio at different wavelengths (usually at 330 nm and 350 nm) is becoming an increasingly popular parameter for the evaluation of thermal transitions. We show that, under certain conditions, the use of this parameter for the analysis of unfolding transitions leads to the incorrect determination of thermodynamic parameters characterizing unfolding transitions in proteins (e.g., melting temperature) and, hence, can compromise the hit identification during high-throughput drug screening campaigns. © 2017 The Protein Society.

  16. Micromagnetic simulations with thermal noise: Physical and numerical aspects

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, E. [Dept. de Ingenieria Electromecanica, Universidad de Burgos, Plaza Misael Banuelos, s/n, E-09001, Burgos (Spain)]. E-mail: emvecino@ubu.es; Lopez-Diaz, L. [Dept. de Fisica Aplicada, Universidad Salamanca, Plaza de la Merced s/n, Salamanca E-37008 (Spain); Torres, L. [Dept. de Fisica Aplicada, Universidad Salamanca, Plaza de la Merced s/n, Salamanca E-37008 (Spain); Garcia-Cervera, C.J. [Department of Mathematics, University of California, Santa Barbara, CA 93106 (United States)

    2007-09-15

    Langevin dynamics treats finite temperature effects in micromagnetics framework by adding a thermal fluctuation field to the local effective field. Several works have addressed that the numerical results depend on the cell size used to split the ferromagnetic samples on the nanoscale regime. In this short paper, we analyze a thermally perturbed micromagnetic problem by using an implicit unconditionally stable numerical scheme to integrate the Langevin equation at room temperature. The obtained micromagnetic results for several cell sizes inside the validity range of the micromagnetic formalism, indicate that the addressed cell size dependence could be associated to numerical limitations of the commonly used numerical schemes.

  17. Micromagnetic simulations with thermal noise: Physical and numerical aspects

    International Nuclear Information System (INIS)

    Martinez, E.; Lopez-Diaz, L.; Torres, L.; Garcia-Cervera, C.J.

    2007-01-01

    Langevin dynamics treats finite temperature effects in micromagnetics framework by adding a thermal fluctuation field to the local effective field. Several works have addressed that the numerical results depend on the cell size used to split the ferromagnetic samples on the nanoscale regime. In this short paper, we analyze a thermally perturbed micromagnetic problem by using an implicit unconditionally stable numerical scheme to integrate the Langevin equation at room temperature. The obtained micromagnetic results for several cell sizes inside the validity range of the micromagnetic formalism, indicate that the addressed cell size dependence could be associated to numerical limitations of the commonly used numerical schemes

  18. Combined simulation of energy and thermal management for an electric vehicle

    Energy Technology Data Exchange (ETDEWEB)

    Mohrmann, Bjoern; Jeck, Peter [Institut fuer Kraftfahrzeuge Aachen (Germany); Simon, Carsten [fortiss GmbH, Muenchen (Germany); Ungermann, Jochen [Audi AG, Ingolstadt (Germany)

    2012-11-01

    The project eperformance, which is funded by the BMBF, is conducted by project partners from RWTH Aachen, Audi, Bosch Engineering and fortiss GmbH, in order to demonstrate the concept of an electric vehicle on the basis of a holistic development approach. To support this, several simulation platforms come into use, i.e. CFD Simulation for cooling concepts, electromagnetic simulations for electric machine design, physical simulation of cooling circuits as well as vehicle mechanics and controller design. To develop an energy efficient vehicle management, some of these simulation domains have to be combined, to simulate interdependencies between for example usage of high-voltage batteries, their thermal response and the impact for controller strategies. Within the project it was decided to use the Tool TISC (TLK Inter Software Connector) to combine as well a physical model, based on Modelica/Dymola to simulate thermal behaviours of components with a longitudinal vehicle model and a controller model, both based in MATLAB/Simulink. Advantages of such a coupled simulation are the re-usability of existing models in both tools with their tool-specific benefits as well as the possibility to cluster the models on different computers. The article will explain how the combined simulation is set up and parameterized, and will show two use cases: the thermal management of the two independent battery systems of the demonstrator vehicle and the torque distribution on the three electric machines in the vehicle, depending on the drive situation and the thermal state of the machines. (orig)

  19. Experimental Study of Turbine Fuel Thermal Stability in an Aircraft Fuel System Simulator

    Science.gov (United States)

    Vranos, A.; Marteney, P. J.

    1980-01-01

    The thermal stability of aircraft gas turbines fuels was investigated. The objectives were: (1) to design and build an aircraft fuel system simulator; (2) to establish criteria for quantitative assessment of fuel thermal degradation; and (3) to measure the thermal degradation of Jet A and an alternative fuel. Accordingly, an aircraft fuel system simulator was built and the coking tendencies of Jet A and a model alternative fuel (No. 2 heating oil) were measured over a range of temperatures, pressures, flows, and fuel inlet conditions.

  20. Multi-pass TIG welding process: simulating thermal SS304

    International Nuclear Information System (INIS)

    Harinadh, Vemanaboina; Akella, S.; Buddu, Ramesh Kumar; Edision, G.

    2015-01-01

    Welding is basic requirement in the construction of nuclear reactors, power plants and structural components development. A basic studies on various aspects of the welding is essential to ensure the stability and structural requirement conditions. The present study explored the thermo-mechanical analysis of the multipass welds of austenitic stainless steels which are widely used in fusion and fission reactor components development. A three-dimensional (3D) finite element model is developed to investigate thermally induced stress field during TIG welding process for SS304 material. The transient thermal analysis is performed to obtain the temperature history, which then is applied to the mechanical (stress) analysis. The present thermal analysis is conducted using element type DC3D8. This element type has a three dimensional thermal conduction capability and eight nodes. The 6 mm thick plated is welded with six numbers of passes. The geometry and meshed model with tetrahedral shape with volume sweep. The analysis is on TIG welding process using 3D-weld interface plug-in on ABAQUS-6.14. The results are reported in the present paper

  1. Simulation of global warming effect on outdoor thermal comfort conditions

    Energy Technology Data Exchange (ETDEWEB)

    Roshan, G.R.; Ranjbar, F. [Univ. of Tehran (IR). Dept. of Physical Geography; Orosa, J.A. [Univ. of A Coruna (Spain). Dept. of Energy

    2010-07-01

    In the coming decades, global warming and increase in temperature, in different regions of the world, may change indoor and outdoor thermal comfort conditions and human health. The aim of this research was to study the effects of global warming on thermal comfort conditions in indoor ambiences in Iran. To study the increase in temperature, model for assessment of greenhouse-gas induced climate change scenario generator compound model has been used together with four scenarios and to estimate thermal comfort conditions, adaptive model of the American Society of Heating, Refrigerating and Air-Conditioning Engineers has been used. In this study, Iran was divided into 30 zones, outdoor conditions were obtained using meteorological data of 80 climatological stations and changes in neutral comfort conditions in 2025, 2050, 2075 and 2100 were predicted. In accordance with each scenario, findings from this study showed that temperature in the 30 zones will increase by 2100 to between 3.4 C and 5.6 C. In the coming decades and in the 30 studied zones, neutral comfort temperature will increase and be higher and more intense in the central and desert zones of Iran. The low increase in this temperature will be connected to the coastal areas of the Caspian and Oman Sea in southeast Iran. This increase in temperature will be followed by a change in thermal comfort and indoor energy consumption from 8.6 % to 13.1 % in air conditioning systems. As a result, passive methods as thermal inertia are proposed as a possible solution.

  2. Protein unfolding with a steric trap.

    Science.gov (United States)

    Blois, Tracy M; Hong, Heedeok; Kim, Tae H; Bowie, James U

    2009-10-07

    The study of protein folding requires a method to drive unfolding, which is typically accomplished by altering solution conditions to favor the denatured state. This has the undesirable consequence that the molecular forces responsible for configuring the polypeptide chain are also changed. It would therefore be useful to develop methods that can drive unfolding without the need for destabilizing solvent conditions. Here we introduce a new method to accomplish this goal, which we call steric trapping. In the steric trap method, the target protein is labeled with two biotin tags placed close in space so that both biotin tags can only be bound by streptavidin when the protein unfolds. Thus, binding of the second streptavidin is energetically coupled to unfolding of the target protein. Testing the method on a model protein, dihydrofolate reductase (DHFR), we find that streptavidin binding can drive unfolding and that the apparent binding affinity reports on changes in DHFR stability. Finally, by employing the slow off-rate of wild-type streptavidin, we find that DHFR can be locked in the unfolded state. The steric trap method provides a simple method for studying aspects of protein folding and stability in native solvent conditions, could be used to specifically unfold selected domains, and could be applicable to membrane proteins.

  3. Mechanical unfolding reveals stable 3-helix intermediates in talin and α-catenin.

    Directory of Open Access Journals (Sweden)

    Vasyl V Mykuliak

    2018-04-01

    Full Text Available Mechanical stability is a key feature in the regulation of structural scaffolding proteins and their functions. Despite the abundance of α-helical structures among the human proteome and their undisputed importance in health and disease, the fundamental principles of their behavior under mechanical load are poorly understood. Talin and α-catenin are two key molecules in focal adhesions and adherens junctions, respectively. In this study, we used a combination of atomistic steered molecular dynamics (SMD simulations, polyprotein engineering, and single-molecule atomic force microscopy (smAFM to investigate unfolding of these proteins. SMD simulations revealed that talin rod α-helix bundles as well as α-catenin α-helix domains unfold through stable 3-helix intermediates. While the 5-helix bundles were found to be mechanically stable, a second stable conformation corresponding to the 3-helix state was revealed. Mechanically weaker 4-helix bundles easily unfolded into a stable 3-helix conformation. The results of smAFM experiments were in agreement with the findings of the computational simulations. The disulfide clamp mutants, designed to protect the stable state, support the 3-helix intermediate model in both experimental and computational setups. As a result, multiple discrete unfolding intermediate states in the talin and α-catenin unfolding pathway were discovered. Better understanding of the mechanical unfolding mechanism of α-helix proteins is a key step towards comprehensive models describing the mechanoregulation of proteins.

  4. Thermal plume above a simulated sitting person with different complexity of body geometry

    DEFF Research Database (Denmark)

    Zukowska, Daria; Melikov, Arsen Krikor; Popiolek, Zbigniew J.

    2007-01-01

    Occupants are one of the main heat sources in rooms. They generate thermal plumes with characteristics, which depend on geometry, surface temperature and area of the human body in contact with the surrounding air as well as temperature, velocity and turbulence intensity distribution in the room....... The characteristics of the thermal plume generated by a sitting person were studied using four human body simulators with different complexity of geometry but equal surface area: a vertical cylinder, a rectangular box, a dummy, and a thermal manikin. The results show that the dummy and the thermal manikin generate...

  5. Numerical simulation of thermal behaviors of a clothed human body with evaluation of indoor solar radiation

    International Nuclear Information System (INIS)

    Mao, Aihua; Luo, Jie; Li, Yi

    2017-01-01

    Highlights: • Solar radiation evaluation is integrated with the thermal transfer in clothed humans. • Thermal models are developed for clothed humans exposed in indoor solar radiation. • The effect of indoor solar radiation on humans can be predicted in different situations in living. • The green solar energy can be efficiently utilized in the building development. - Abstract: Solar radiation is a valuable green energy, which is important in achieving a successful building design for thermal comfort in indoor environment. This paper considers solar radiation indoors into the transient thermal transfer models of a clothed human body and offers a new numerical method to analyze the dynamic thermal status of a clothed human body under different solar radiation incidences. The evaluation model of solar radiation indoors and a group of coupled thermal models of the clothed human body are developed and integrated. The simulation capacities of these integrated models are validated through a comparison between the predicted results and the experimental data in reference. After that, simulation cases are also conducted to show the influence of solar radiation on the thermal status of individual clothed body segments when the human body is staying indoors in different seasons. This numerical simulation method provides a useful tool to analyze the thermal status of clothed human body under different solar radiation incidences indoors and thus enables the architect to efficiently utilize the green solar energy in building development.

  6. Thermal Expansion of Ni3Al Intermetallic Compound: Experiment and Simulation

    International Nuclear Information System (INIS)

    Wang Hai-Peng; Lü Peng; Zhou Kai; Wei Bing-Bo

    2016-01-01

    The thermal expansion of Ni 3 Al intermetallic compound is determined by a thermal dilatometer and simulated by the molecular dynamics method. The results of the linear thermal expansion coefficients are presented from 200 K up to the maximum temperature of 1600 K. The single phase of Ni 3 Al intermetallic compound is confirmed by x-ray diffraction together with DSC melting and solidification peaks, from which the solidus and the liquidus temperatures are obtained to be 1660 and 1695 K, respectively. The measured linear thermal expansion coefficient increases from 1.5 × 10 −5 to 2.7 × 10 −5 K −1 in the experimental temperature range, in good agreement with the data obtained by the molecular dynamics simulation, just a slight difference from the temperature dependence coefficient. Furthermore, the atomic structure and position are presented to reveal the atom distribution change during thermal expansion of Ni 3 Al compound. (paper)

  7. Finite-difference time-domain simulation of thermal noise in open cavities

    International Nuclear Information System (INIS)

    Andreasen, Jonathan; Cao Hui; Taflove, Allen; Kumar, Prem; Cao Changqi

    2008-01-01

    A numerical model based on the finite-difference time-domain (FDTD) method is developed to simulate thermal noise in open cavities owing to output coupling. The absorbing boundary of the FDTD grid is treated as a blackbody, whose thermal radiation penetrates the cavity in the grid. The calculated amount of thermal noise in a one-dimensional dielectric cavity recovers the standard result of the quantum Langevin equation in the Markovian regime. Our FDTD simulation also demonstrates that in the non-Markovian regime the buildup of the intracavity noise field depends on the ratio of the cavity photon lifetime to the coherence time of thermal radiation. The advantage of our numerical method is that the thermal noise is introduced in the time domain without prior knowledge of cavity modes

  8. Solar panel thermal cycling testing by solar simulation and infrared radiation methods

    Science.gov (United States)

    Nuss, H. E.

    1980-01-01

    For the solar panels of the European Space Agency (ESA) satellites OTS/MAROTS and ECS/MARECS the thermal cycling tests were performed by using solar simulation methods. The performance data of two different solar simulators used and the thermal test results are described. The solar simulation thermal cycling tests for the ECS/MARECS solar panels were carried out with the aid of a rotatable multipanel test rig by which simultaneous testing of three solar panels was possible. As an alternative thermal test method, the capability of an infrared radiation method was studied and infrared simulation tests for the ultralight panel and the INTELSAT 5 solar panels were performed. The setup and the characteristics of the infrared radiation unit using a quartz lamp array of approx. 15 sq and LN2-cooled shutter and the thermal test results are presented. The irradiation uniformity, the solar panel temperature distribution, temperature changing rates for both test methods are compared. Results indicate the infrared simulation is an effective solar panel thermal testing method.

  9. Energy improvement of a conventional dwelling in Argentina through thermal simulation

    Energy Technology Data Exchange (ETDEWEB)

    Filippin, C. [CONICET-CC302, Santa Rosa 6300, La Pampa (Argentina); Flores Larsen, S. [INENCO-Instituto de Investigaciones en Energias No Convencionales, Universidad Nacional de Salta, CONICET, Avda. Bolivia 5150, CP 4400 Salta Capital (Argentina); Lopez Gay, E.

    2008-10-15

    This paper analyses the design, technology, thermal behaviour, and energy consumption of both a conventional and a refurbished dwelling located in a region with a temperate-cold climate in central Argentina. The thermal behaviour and the energy consumption of the conventional building were monitored during winter. The experimental data were analysed and included in a simulation of the transient thermal behaviour of the house. Measurements and simulation were in agreement, showing a mean deviation below 0.5{sup o}C. To reduce the heating and cooling loads, the dwelling was refurbished and its thermal behaviour was studied through a computer simulation, for the critical seasons (winter and summer) and for two occupancy schedules (with and without inhabitants). The refurbishment included passive solar heating, shading, and an insulated envelope. These successful changes allowed energy savings of 66% and 52% for winter and summer, respectively. (author)

  10. Simulation of adiabatic thermal beams in a periodic solenoidal magnetic focusing field

    Directory of Open Access Journals (Sweden)

    T. J. Barton

    2012-12-01

    Full Text Available Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K. R. Samokhvalova, J. Zhou, and C. Chen, Phys. Plasmas 14, 103102 (2007PHPAEN1070-664X10.1063/1.2779281; J. Zhou, K. R. Samokhvalova, and C. Chen, Phys. Plasmas 15, 023102 (2008PHPAEN1070-664X10.1063/1.2837891]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam is found be stable in the parameter regime where the simulations are performed.

  11. Monte Carlo simulations to advance characterisation of landmines by pulsed fast/thermal neutron analysis

    NARCIS (Netherlands)

    Maucec, M.; Rigollet, C.

    The performance of a detection system based on the pulsed fast/thermal neutron analysis technique was assessed using Monte Carlo simulations. The aim was to develop and implement simulation methods, to support and advance the data analysis techniques of the characteristic gamma-ray spectra,

  12. Simulation of thermal effectiveness under coal dust burning

    International Nuclear Information System (INIS)

    Korabejnikova, V.K.

    2001-01-01

    The simulation equation of polydisperse fuel (coal dust) torch combustion in the definite zones of burning cameras of stream generator and taking into account reactions in kinetic and diffusion areas at distinguishing temperatures of particles and gas are considered. (author)

  13. UNFOLDED REGULAR AND SEMI-REGULAR POLYHEDRA

    Directory of Open Access Journals (Sweden)

    IONIŢĂ Elena

    2015-06-01

    Full Text Available This paper proposes a presentation unfolding regular and semi-regular polyhedra. Regular polyhedra are convex polyhedra whose faces are regular and equal polygons, with the same number of sides, and whose polyhedral angles are also regular and equal. Semi-regular polyhedra are convex polyhedra with regular polygon faces, several types and equal solid angles of the same type. A net of a polyhedron is a collection of edges in the plane which are the unfolded edges of the solid. Modeling and unfolding Platonic and Arhimediene polyhedra will be using 3dsMAX program. This paper is intended as an example of descriptive geometry applications.

  14. Thermal hydraulic simulation of the CANDU nuclear reactor

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Athos M.S.S. de; Ramos, Mario C.; Costa, Antonella L.; Fernandes, Gustavo H.N., E-mail: athos1495@yahoo.com.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Instituto Nacional de Ciência e Tecnologia de Reatores Nucleares Inovadores (INCT/CNPq), Rio de janeiro, RJ (Brazil)

    2017-07-01

    The CANDU (Canada Deuterium Uranium) is a Canadian-designed power reactor of PHWR type (Pressurized Heavy Water Reactor) that uses heavy water (deuterium oxide) for moderator and coolant, and natural uranium for fuel. There are about 47 reactors of this type in operation around the world generating more than 23 GWe, highlighting the importance of this kind of device. In this way, the main purpose of this study is to develop a thermal hydraulic model for a CANDU reactor to aggregate knowledge in this line of research. In this way, a core modeling was performed using RELAP5-3D code. Results were compared with reference data to verify the model behavior in steady state operation. Thermal hydraulic parameters as temperature, pressure and mass flow rate were verified and the results are in good agreement with reference data, as it is being presented in this work. (author)

  15. Simulation of Thermal-hydraulic Process in Reactor of HTR-PM

    International Nuclear Information System (INIS)

    Zhou Kefeng; Zhou Yangping; Sui Zhe; Ma Yuanle

    2014-01-01

    This paper provides the physical process in the reactor of High Temperature Gas-cooled Reactor Pebble-bed Module (HTR-PM) and introduces the standard operation conditions. The FORTRAN code developed for the thermal hydraulic module of Full-Scale Simulator (FSS) of HTR-PM is used to simulate two typical operation transients including cold startup process and cold shutdown process. And the results were compared to the safety analysis code, namely TINTE. The good agreement indicates that the code is applicable for simulating the thermal-hydraulic process in reactor of HTR-PM. And for long time transient process, the code shows good stability and convergence. (author)

  16. Cellular and Porous Materials Thermal Properties Simulation and Prediction

    CERN Document Server

    Öchsner, Andreas; de Lemos, Marcelo J S

    2008-01-01

    Providing the reader with a solid understanding of the fundamentals as well as an awareness of recent advances in properties and applications of cellular and porous materials, this handbook and ready reference covers all important analytical and numerical methods for characterizing and predicting thermal properties. In so doing it directly addresses the special characteristics of foam-like and hole-riddled materials, combining theoretical and experimental aspects for characterization purposes.

  17. Simulation of Thermal Signature of Tires and Tracks

    Science.gov (United States)

    2012-08-01

    the body-ply is a linear elastic material. To facilitate the analysis, the tire was divided into Tread and Sidewall by the dash line as shown in...only one element is assigned through the thickness of the tire . Therefore, the thickness of the element is the same as the thickness of the tire ...to the whole part of the 3D full tire in the thermal analysis. The average strain energy density for each part ( tread or sidewall) in the cross

  18. Test results of the new NSSS thermal-hydraulics program of the KNPEC-2 simulator

    International Nuclear Information System (INIS)

    Jeong, J. Z.; Kim, K. D.; Lee, M. S.; Hong, J. H.; Lee, Y. K.; Seo, J. S.; Kweon, K. J.; Lee, S. W.

    2001-01-01

    As a part of the KNPEC-2 Simulator Upgrade Project, KEPRI and KAERI have developed a new NSSS thermal-hydraulics program, which is based on the best-estimate system code, RETRAN. The RETRAN code was originally developed for realistic simulation of thermal-hydraulic transient in power plant systems. The capability of 'real-time simulation' and robustness' should be first developed before being implemented in full-scope simulators. For this purpose, we have modified the RETRAN code by (i) eliminating the correlations' discontinuities between flow regime maps, (ii) simplifying physical correlations, (iii) correcting errors in the original program, and (iv) others. This paper briefly presents the test results fo the new NSSS thermal-hydraulics program

  19. The Development of Dispatcher Training Simulator in a Thermal Energy Generation System

    Science.gov (United States)

    Hakim, D. L.; Abdullah, A. G.; Mulyadi, Y.; Hasan, B.

    2018-01-01

    A dispatcher training simulator (DTS) is a real-time Human Machine Interface (HMI)-based control tool that is able to visualize industrial control system processes. The present study was aimed at developing a simulator tool for boilers in a thermal power station. The DTS prototype was designed using technical data of thermal power station boilers in Indonesia. It was then designed and implemented in Wonderware Intouch 10. The resulting simulator came with component drawing, animation, control display, alarm system, real-time trend, historical trend. This application used 26 tagnames and was equipped with a security system. The test showed that the principles of real-time control worked well. It is expected that this research could significantly contribute to the development of thermal power station, particularly in terms of its application as a training simulator for beginning dispatchers.

  20. A Fast Electro-Thermal Co-Simulation Modeling Approach for SiC Power MOSFETs

    DEFF Research Database (Denmark)

    Ceccarelli, Lorenzo; Bahman, Amir Sajjad; Iannuzzo, Francesco

    2017-01-01

    The purpose of this work is to propose a novel electro-thermal co-simulation approach for the new generation of SiC MOSFETs, by development of a PSpice-based compact and physical SiC MOSFET model including temperature dependency of several parameters and a Simulink-based thermal network. The PSpice...... the FEM simulation of the DUT’s structure, performed in ANSYS Icepack. A MATLAB script is used to process the simulation data and feed the needed settings and parameters back into the simulation. The parameters for a CREE 1.2 kV/30 A SiC MOSFET have been identified and the electro-thermal model has been...

  1. Genetic algorithms - A new technique for solving the neutron spectrum unfolding problem

    International Nuclear Information System (INIS)

    Freeman, David W.; Edwards, D. Ray; Bolon, Albert E.

    1999-01-01

    A new technique utilizing genetic algorithms has been applied to the Bonner sphere neutron spectrum unfolding problem. Genetic algorithms are part of a relatively new field of 'evolutionary' solution techniques that mimic living systems with computer-simulated 'chromosome' solutions. Solutions mate and mutate to create better solutions. Several benchmark problems, considered representative of radiation protection environments, have been evaluated using the newly developed UMRGA code which implements the genetic algorithm unfolding technique. The results are compared with results from other well-established unfolding codes. The genetic algorithm technique works remarkably well and produces solutions with relatively high spectral qualities. UMRGA appears to be a superior technique in the absence of a priori data - it does not rely on 'lucky' guesses of input spectra. Calculated personnel doses associated with the unfolded spectra match benchmark values within a few percent

  2. Review of simulation techniques for Aquifer Thermal Energy Storage (ATES)

    Science.gov (United States)

    Mercer, J. W.; Faust, C. R.; Miller, W. J.; Pearson, F. J., Jr.

    1981-03-01

    The analysis of aquifer thermal energy storage (ATES) systems rely on the results from mathematical and geochemical models. Therefore, the state-of-the-art models relevant to ATES were reviewed and evaluated. These models describe important processes active in ATES including ground-water flow, heat transport (heat flow), solute transport (movement of contaminants), and geochemical reactions. In general, available models of the saturated ground-water environment are adequate to address most concerns associated with ATES; that is, design, operation, and environmental assessment. In those cases where models are not adequate, development should be preceded by efforts to identify significant physical phenomena and relate model parameters to measurable quantities.

  3. Effects of simulated nuclear thermal pulses on fiber optic cables

    International Nuclear Information System (INIS)

    Baba, A.J.; Share, S.; Wasilik, J.H.

    1979-01-01

    The effects of pulsed thermal radiation on fiber optic cables with a variety of jackets (polyurethane, PVC, fluorocarbon) are presented. Exposure between 27 and 85 cal/cm 2 did not sever the optical fibers, but the radiation did cause disintegration of the jackets and the Kevlar strength members, which resulted in a significant reduction of the cable's ability to survive mechanical stress. Hardening techniques are discussed. The addition of low absorptance materials (white Teflon tape and aluminum foil) under clear or white Teflon jackets prevented some types of cables from being affected at fluences up to 110 cal/cm 2

  4. BUMS--Bonner sphere Unfolding Made Simple: an HTML based multisphere neutron spectrometer unfolding package

    International Nuclear Information System (INIS)

    Sweezy, Jeremy; Hertel, Nolan; Veinot, Ken

    2002-01-01

    A new multisphere neutron spectrometer unfolding package, Bonner sphere Unfolding Made Simple (BUMS) has been developed that uses an HTML interface to simplify data input and code execution for the novice and the advanced user. This new unfolding package combines the unfolding algorithms contained in other popular unfolding codes under one easy to use interface. The interface makes use of web browsing software to provide a graphical user interface to the unfolding algorithms. BUMS integrates the SPUNIT, BON, MAXIET, and SAND-II unfolding algorithms into a single package. This package also includes a library of 14 response matrices, 58 starting spectra, and 24 dose and detector responses. BUMS has several improvements beyond the addition of unfolding algorithms. It has the ability to search for the most appropriate starting spectra. Also, plots of the unfolded neutron spectra are automatically generated. The BUMS package runs via a web server and may be accessed by any computer with access to the Internet at http://nukeisit.gatech.edu/bums

  5. TRISO fuel thermal simulations in the LS-VHTR

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Mario C.; Scari, Maria E.; Costa, Antonella L.; Pereira, Claubia; Veloso, Maria A.F., E-mail: marc5663@gmail.com, E-mail: melizabethscari@yahoo.com, E-mail: antonella@nuclear.ufmg.br, E-mail: claubia@nuclear.ufmg.br, E-mail: dora@nuclear.ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Instituto Nacional de Ciência e Tecnologia de Reatores Nucleares Inovadores/CNPq (Brazil)

    2017-07-01

    The liquid-salt-cooled very high-temperature reactor (LS-VHTR) is a reactor that presents very good characteristics in terms of energy production and safety aspects. It uses as fuel the TRISO particles immersed in a graphite matrix with a cylindrical shape called fuel compact, as moderator graphite and as coolant liquid salt Li{sub 2}BeF{sub 4} called Flibe. This work evaluates the thermal hydraulic performance of the heat removal system and the reactor core by performing different simplifications to represent the reactor core and the fuel compact under steady-state conditions, starting the modeling from a single fuel element, until complete the studies with the entire core model developed in the RELAP5-3D code. Two models were considered for representation of the fuel compact, homogeneous and non-homogeneous models, as well as different geometries of the heat structures was considered. The aim to develop several models was to compare the thermal hydraulic characteristics resulting from the construction of a more economical and less discretized model with much more refined models that can lead to more complexes analyzes to representing TRISO effect particles in the fuel compact. The different results found, mainly, for the core temperature distributions are presented and discussed. (author)

  6. Thermal conductivity predictions of herringbone graphite nanofibers using molecular dynamics simulations.

    Science.gov (United States)

    Khadem, Masoud H; Wemhoff, Aaron P

    2013-02-28

    Non-equilibrium molecular dynamics (NEMD) simulations are used to investigate the thermal conductivity of herringbone graphite nanofibers (GNFs) at room temperature by breaking down the axial and transverse conductivity values into intralayer and interlayer components. The optimized Tersoff potential is used to account for intralayer carbon-carbon interactions while the Lennard-Jones potential is used to model the interlayer carbon-carbon interactions. The intralayer thermal conductivity of the graphene layers near room temperature is calculated for different crease angles and number of layers using NEMD with a constant applied heat flux. The edge effect on a layer's thermal conductivity is investigated by computing the thermal conductivity values in both zigzag and armchair directions of the heat flow. The interlayer thermal conductivity is also predicted by imposing hot and cold Nosé-Hoover thermostats on two layers. The limiting case of a 90° crease angle is used to compare the results with those of single-layer graphene and few-layer graphene. The axial and transverse thermal conductivities are then calculated using standard trigonometric conversions of the calculated intralayer and interlayer thermal conductivities, along with calculations of few-layer graphene without a crease. The results show a large influence of the crease angle on the intralayer thermal conductivity, and the saturation of thermal conductivity occurs when number of layers is more than three. The axial thermal conductivity, transverse thermal conductivity in the crease direction, and transverse thermal conductivity normal to the crease for the case of a five-layer herringbone GNF with a 45° crease angle are calculated to be 27 W∕m K, 263 W∕m K, and 1500 W∕m K, respectively, where the axial thermal conductivity is in good agreement with experimental measurements.

  7. Effects of Anisotropic Thermal Conductivity in Magnetohydrodynamics Simulations of a Reversed-Field Pinch

    International Nuclear Information System (INIS)

    Onofri, M.; Malara, F.; Veltri, P.

    2010-01-01

    A compressible magnetohydrodynamics simulation of the reversed-field pinch is performed including anisotropic thermal conductivity. When the thermal conductivity is much larger in the direction parallel to the magnetic field than in the perpendicular direction, magnetic field lines become isothermal. As a consequence, as long as magnetic surfaces exist, a temperature distribution is observed displaying a hotter confined region, while an almost uniform temperature is produced when the magnetic field lines become chaotic. To include this effect in the numerical simulation, we use a multiple-time-scale analysis, which allows us to reproduce the effect of a large parallel thermal conductivity. The resulting temperature distribution is related to the existence of closed magnetic surfaces, as observed in experiments. The magnetic field is also affected by the presence of an anisotropic thermal conductivity.

  8. Computational Simulation of Thermal and Spattering Phenomena and Microstructure in Selective Laser Melting of Inconel 625

    Science.gov (United States)

    Özel, Tuğrul; Arısoy, Yiğit M.; Criales, Luis E.

    Computational modelling of Laser Powder Bed Fusion (L-PBF) processes such as Selective laser Melting (SLM) can reveal information that is hard to obtain or unobtainable by in-situ experimental measurements. A 3D thermal field that is not visible by the thermal camera can be obtained by solving the 3D heat transfer problem. Furthermore, microstructural modelling can be used to predict the quality and mechanical properties of the product. In this paper, a nonlinear 3D Finite Element Method based computational code is developed to simulate the SLM process with different process parameters such as laser power and scan velocity. The code is further improved by utilizing an in-situ thermal camera recording to predict spattering which is in turn included as a stochastic heat loss. Then, thermal gradients extracted from the simulations applied to predict growth directions in the resulting microstructure.

  9. Simulation of Temperature Field in HDPE Pipe Thermal Welding

    Directory of Open Access Journals (Sweden)

    LIU Li-jun

    2017-04-01

    Full Text Available For high density polyethylene pipe connection,welding technology is the key of the high density engineering plastic pressure pipe safety. And the temperature distribution in the welding process has a very important influence on the welding quality. Polyethylene pipe weld joints of one dimensional unsteady overall heat transfer model is established by MARC software and simulates temperature field and stress field distribution of the welding process,and the thermocouple temperature automatic acquisition system of welding temperature field changes were detected,and compared by simulation and experiment .The results show that,at the end of the heating,the temperature of the pipe does not reach the maximum,but reached the maximum at 300 s,which indicates that the latent heat of phase change in the process of pressure welding. In the process of pressure welding, the axial stress of the pipe is gradually changed from tensile stress to compressive stress.

  10. The SCAR project - accidental thermal-hydraulics: from the simulation to the simulators

    International Nuclear Information System (INIS)

    Farvacque, M.; Faydide, B.; Parent, M.; Iffenecker, F.; Pentori, B.; Dumas, J.M.

    2000-01-01

    The integration of the CATHARE code in the reactor simulators was completed in the beginning of the years 1990 with the design of the simulators SIPA1 and SIPA2. The SCAR project (Simulator CAthare Release), presented in this paper, is the following of this application. The objective is the adaptation of a reference CATHARE code version to the simulators environment, in order to realize the convergence between the safety analysis tool and the simulator. (A.L.B.)

  11. Minimizing cell size dependence in micromagnetics simulations with thermal noise

    Energy Technology Data Exchange (ETDEWEB)

    MartInez, E [Departamento de Ingenieria Electromecanica, Universidad de Burgos, Plaza Misael Banuelos, s/n, E-09001, Burgos (Spain); Lopez-DIaz, L [Departamento de Fisica Aplicada. Universidad Salamanca. Plaza de la Merced s/n. Salamanca E-37008 (Spain); Torres, L [Departamento de Fisica Aplicada. Universidad Salamanca. Plaza de la Merced s/n. Salamanca E-37008 (Spain); GarcIa-Cervera, C J [Department of Mathematics. University of California, Santa Barbara, CA 93106 (United States)

    2007-02-21

    Langevin dynamics treats finite temperature effects in a micromagnetics framework by adding a thermal fluctuation field to the effective field. Several works have addressed the dependence of numerical results on the cell size used to split the ferromagnetic samples on the nanoscale regime. In this paper, some former problems dealing with the dependence on the spatial discretization at finite temperature have been revised. We have focused our attention on the stability of the numerical schemes used to integrate the Langevin equation. In particular, a detailed analysis of results was carried out as a function of the time step. It was confirmed that the mentioned dependence can be minimized if an unconditional stable integration method is used to numerically solve the Langevin equation.

  12. Minimizing cell size dependence in micromagnetics simulations with thermal noise

    International Nuclear Information System (INIS)

    MartInez, E; Lopez-DIaz, L; Torres, L; GarcIa-Cervera, C J

    2007-01-01

    Langevin dynamics treats finite temperature effects in a micromagnetics framework by adding a thermal fluctuation field to the effective field. Several works have addressed the dependence of numerical results on the cell size used to split the ferromagnetic samples on the nanoscale regime. In this paper, some former problems dealing with the dependence on the spatial discretization at finite temperature have been revised. We have focused our attention on the stability of the numerical schemes used to integrate the Langevin equation. In particular, a detailed analysis of results was carried out as a function of the time step. It was confirmed that the mentioned dependence can be minimized if an unconditional stable integration method is used to numerically solve the Langevin equation

  13. A Multi-Wavelength Thermal Infrared and Reflectance Scene Simulation Model

    Science.gov (United States)

    Ballard, J. R., Jr.; Smith, J. A.; Smith, David E. (Technical Monitor)

    2002-01-01

    Several theoretical calculations are presented and our approach discussed for simulating overall composite scene thermal infrared exitance and canopy bidirectional reflectance of a forest canopy. Calculations are performed for selected wavelength bands of the DOE Multispectral Thermal Imagery and comparisons with atmospherically corrected MTI imagery are underway. NASA EO-1 Hyperion observations also are available and the favorable comparison of our reflective model results with these data are reported elsewhere.

  14. The gyro-radius scaling of ion thermal transport from global numerical simulations of ITG turbulence

    International Nuclear Information System (INIS)

    Ottaviani, M.; Manfredi, G.

    1998-12-01

    A three-dimensional, fluid code is used to study the scaling of ion thermal transport caused by Ion-Temperature-Gradient-Driven (ITG) turbulence. The code includes toroidal effects and is capable of simulating the whole torus. It is found that both close to the ITG threshold and well above threshold, the thermal transport and the turbulence structures exhibit a gyro-Bohm scaling, at least for plasmas with moderate poloidal flow. (author)

  15. Review of simulation techniques for aquifer thermal energy storage (ATES)

    Energy Technology Data Exchange (ETDEWEB)

    Mercer, J.W.; Faust, C.R.; Miller, W.J.; Pearson, F.J. Jr.

    1981-03-01

    The storage of thermal energy in aquifers has recently received considerable attention as a means to conserve and more efficiently use energy supplies. The analysis of aquifer thermal energy storage (ATES) systems will rely on the results from mathematical and geochemical models. Therefore, the state-of-the-art models relevant to ATES was reviewed and evaluated. These models describe important processes active in ATES including ground-water flow, heat transport (heat flow), solute transport (movement of contaminants), and geochemical reactions. In general, available models of the saturated ground-water environment are adequate to address most concerns associated with ATES; that is, design, operation, and environmental assessment. In those cases where models are not adequate, development should be preceded by efforts to identify significant physical phenomena and relate model parameters to measurable quantities. Model development can then proceed with the expectation of an adequate data base existing for the model's eventual use. Review of model applications to ATES shows that the major emphasis has been on generic sensitivity analysis and site characterization. Assuming that models are applied appropriately, the primary limitation on model calculations is the data base used to construct the model. Numerical transport models are limited by the uncertainty of subsurface data and the lack of long-term historical data for calibration. Geochemical models are limited by the lack of thermodynamic data for the temperature ranges applicable to ATES. Model applications undertaken with data collection activities on ATES sites should provide the most important contributions to the understanding and utilization of ATES. Therefore, the primary conclusion of this review is that model application to field sites in conjunction with data collection activities is essential to the development of this technology.

  16. Coupled large-eddy simulation of thermal mixing in a T-junction

    International Nuclear Information System (INIS)

    Kloeren, D.; Laurien, E.

    2011-01-01

    Analyzing thermal fatigue due to thermal mixing in T-junctions is part of the safety assessment of nuclear power plants. Results of two large-eddy simulations of mixing flow in a T-junction with coupled and adiabatic boundary condition are presented and compared. The temperature difference is set to 100 K, which leads to strong stratification of the flow. The main and the branch pipe intersect horizontally in this simulation. The flow is characterized by steady wavy pattern of stratification and temperature distribution. The coupled solution approach shows highly reduced temperature fluctuations in the near wall region due to thermal inertia of the wall. A conjugate heat transfer approach is necessary in order to simulate unsteady heat transfer accurately for large inlet temperature differences. (author)

  17. Thermal simulation of quenching uranium-0.75% titanium alloy in water

    International Nuclear Information System (INIS)

    Siman-Tov, M.; Llewellyn, G.H.; Childs, K.W.; Ludtka, G.M.; Aramayo, G.A.

    1985-01-01

    A computer model, The Quench Simulator, has been developed to simulate and predict in detail the behavior of U-0.75 Ti alloy when quenched at high temperature (about 850 0 C) in cold water. The code allows one to determine the time- and space-dependent distributions of temperature, residual stress, distortion, and microstructure that evolve during the quenching process. The nonlinear temperature- and microstructure-dependent properties, as well as the cooling rate-dependent heats of transformation, are incorporated into the model. The complex boiling heat transfer with its various regimes and other thermal boundary conditions are simulated. Experiments have been performed and incorporated into the model. Both sudden submersion and gradual controlled immersion can be applied. A parametric and sensitivity study has been performed demonstrating the importance of the thermal boundary conditions applied for achieving certain product characteristics. The thermal aspects of the model and its applications are discussed and demonstrated

  18. Experimental Preparation and Numerical Simulation of High Thermal Conductive Cu/CNTs Nanocomposites

    Directory of Open Access Journals (Sweden)

    Muhsan Ali Samer

    2014-07-01

    Full Text Available Due to the rapid growth of high performance electronics devices accompanied by overheating problem, heat dissipater nanocomposites material having ultra-high thermal conductivity and low coefficient of thermal expansion was proposed. In this work, a nanocomposite material made of copper (Cu reinforced by multi-walled carbon nanotubes (CNTs up to 10 vol. % was prepared and their thermal behaviour was measured experimentally and evaluated using numerical simulation. In order to numerically predict the thermal behaviour of Cu/CNTs composites, three different prediction methods were performed. The results showed that rules of mixture method records the highest thermal conductivity for all predicted composites. In contrast, the prediction model which takes into account the influence of the interface thermal resistance between CNTs and copper particles, has shown the lowest thermal conductivity which considered as the closest results to the experimental measurement. The experimentally measured thermal conductivities showed remarkable increase after adding 5 vol.% CNTs and higher than the thermal conductivities predicted via Nan models, indicating that the improved fabrication technique of powder injection molding that has been used to produced Cu/CNTs nanocomposites has overcome the challenges assumed in the mathematical models.

  19. Thermal transport characterization of hexagonal boron nitride nanoribbons using molecular dynamics simulation

    Directory of Open Access Journals (Sweden)

    Asir Intisar Khan

    2017-10-01

    Full Text Available Due to similar atomic bonding and electronic structure to graphene, hexagonal boron nitride (h-BN has broad application prospects such as the design of next generation energy efficient nano-electronic devices. Practical design and efficient performance of these devices based on h-BN nanostructures would require proper thermal characterization of h-BN nanostructures. Hence, in this study we have performed equilibrium molecular dynamics (EMD simulation using an optimized Tersoff-type interatomic potential to model the thermal transport of nanometer sized zigzag hexagonal boron nitride nanoribbons (h-BNNRs. We have investigated the thermal conductivity of h-BNNRs as a function of temperature, length and width. Thermal conductivity of h-BNNRs shows strong temperature dependence. With increasing width, thermal conductivity increases while an opposite pattern is observed with the increase in length. Our study on h-BNNRs shows considerably lower thermal conductivity compared to GNRs. To elucidate these aspects, we have calculated phonon density of states for both h-BNNRs and GNRs. Moreover, using EMD we have explored the impact of different vacancies, namely, point vacancy, edge vacancy and bi-vacancy on the thermal conductivity of h-BNNRs. With varying percentages of vacancies, significant reduction in thermal conductivity is observed and it is found that, edge and point vacancies are comparatively more destructive than bi-vacancies. Such study would contribute further into the growing interest for accurate thermal transport characterization of low dimensional nanostructures.

  20. Numerical simulation of thermal loading produced by shaped high power laser onto engine parts

    International Nuclear Information System (INIS)

    Song Hongwei; Li Shaoxia; Zhang Ling; Yu Gang; Zhou Liang; Tan Jiansong

    2010-01-01

    Recently a new method for simulating the thermal loading on pistons of diesel engines was reported. The spatially shaped high power laser is employed as the heat source, and some preliminary experimental and numerical work was carried out. In this paper, a further effort was made to extend this simulation method to some other important engine parts such as cylinder heads. The incident Gaussian beam was transformed into concentric multi-circular patterns of specific intensity distributions, with the aid of diffractive optical elements (DOEs). By incorporating the appropriate repetitive laser pulses, the designed transient temperature fields and thermal loadings in the engine parts could be simulated. Thermal-structural numerical models for pistons and cylinder heads were built to predict the transient temperature and thermal stress. The models were also employed to find the optimal intensity distributions of the transformed laser beam that could produce the target transient temperature fields. Comparison of experimental and numerical results demonstrated that this systematic approach is effective in simulating the thermal loading on the engine parts.

  1. Simulation study of negative thermal expansion in yttrium tungstate Y2W3O12.

    Science.gov (United States)

    Rimmer, Leila H N; Dove, Martin T

    2015-05-13

    A simulation study of negative thermal expansion in Y2W3O12 was carried out using calculations of phonon dispersion curves through the application of density functional perturbation theory. The mode eigenvectors were mapped onto flexibility models and results compared with calculations of the mode Grüneisen parameters. It was found that many lower-frequency phonons contribute to negative thermal expansion in Y2W3O12, all of which can be described in terms of rotations of effectively rigid WO4 tetrahedra and Y-O rods. The results are strikingly different from previous phonon studies of higher-symmetry materials that show negative thermal expansion.

  2. Particle-in-cell simulations on spontaneous thermal magnetic field fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Simões, F. J. R. Jr.; Pavan, J. [Instituto de Física e Matemática, UFPel, Pelotas, RS (Brazil); Gaelzer, R.; Ziebell, L. F. [Instituto de Física, UFRGS, Porto Alegre, RS (Brazil); Yoon, P. H. [Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 (United States)

    2013-10-15

    In this paper an electromagnetic particle code is used to investigate the spontaneous thermal emission. Specifically we perform particle-in-cell simulations employing a non-relativistic isotropic Maxwellian particle distribution to show that thermal fluctuations are related to the origin of spontaneous magnetic field fluctuation. These thermal fluctuations can become seed for further amplification mechanisms and thus be considered at the origin of the cosmological magnetic field, at microgauss levels. Our numerical results are in accordance with theoretical results presented in the literature.

  3. Optical roughness BRDF model for reverse Monte Carlo simulation of real material thermal radiation transfer.

    Science.gov (United States)

    Su, Peiran; Eri, Qitai; Wang, Qiang

    2014-04-10

    Optical roughness was introduced into the bidirectional reflectance distribution function (BRDF) model to simulate the reflectance characteristics of thermal radiation. The optical roughness BRDF model stemmed from the influence of surface roughness and wavelength on the ray reflectance calculation. This model was adopted to simulate real metal emissivity. The reverse Monte Carlo method was used to display the distribution of reflectance rays. The numerical simulations showed that the optical roughness BRDF model can calculate the wavelength effect on emissivity and simulate the real metal emissivity variance with incidence angles.

  4. Large Blast and Thermal Simulator Reflected Wave Eliminator Study

    Science.gov (United States)

    1990-03-01

    it delays the passage of this wave through the test section until after the test is complete. The required length of extra duct depends on the strength...tube axis, which acts like an additional contraction effect since Se = Sj/[Cqsin(aj)]. Tii extra area is illustrated best by plotting (Se-Ae)/Ac versus...34Simulation de Choc et de Soaffie. Comimpensateur d’Ondes de Detente de Bouche pour tube a Choc de 2400 mm de diametre de Veine. Description, Compte- Renda

  5. Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

    International Nuclear Information System (INIS)

    Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.

    2015-01-01

    Strong thermal gradients in low-thermal-conductivity ceramics may drive extended defects, such as grain boundaries and voids, to migrate in preferential directions. In this work, molecular dynamics simulations are conducted to study thermal gradient driven grain boundary migration and to verify a previously proposed thermal gradient driving force equation, using uranium dioxide as a model system. It is found that a thermal gradient drives grain boundaries to migrate up the gradient and the migration velocity increases under a constant gradient owing to the increase in mobility with temperature. Different grain boundaries migrate at very different rates due to their different intrinsic mobilities. The extracted mobilities from the thermal gradient driven simulations are compared with those calculated from two other well-established methods and good agreement between the three different methods is found, demonstrating that the theoretical equation of the thermal gradient driving force is valid, although a correction of one input parameter should be made. The discrepancy in the grain boundary mobilities between modeling and experiments is also discussed.

  6. Importance of thermal nonequilibrium considerations for the simulation of nuclear reactor LOCA transients

    International Nuclear Information System (INIS)

    Fischer, S.R.; Nelson, R.A.; Sullivan, L.H.

    1980-01-01

    The purpose of this paper is to show the importance of considering thermal nonequilibrium effects in computer simulations of the refill and reflood portions of pressurized water reactor (PWR) loss-of-coolnat accident (LOCA) transients. Although RELAP4 assumes thermodynamic equilibrium between phases, models that account for the nonequilibrium phenomena associated with the mixing of subcooled emergency cooling water with steam and the superheating of vapor in the presence of liquid droplets have recently been incorporated into the code. Code calculated results, both with and without these new models, have been compared with experimental test data to assess the importance of including thermal nonequilibrium phenomena in computer code simulations

  7. Thermal Comfort in Simulated Office Environment with Four Convective and Radiant Cooling Systems

    DEFF Research Database (Denmark)

    Bolashikov, Zhecho Dimitrov; Mustakallio, Panu; Kolencíková, Sona

    2013-01-01

    with overhead mixing ventilation (MVRC). Whole body thermal sensation (TS) and whole body TS acceptability under the four systems in a simulated office room for one hour exposure were collected. The simulated two-man office (4.12 x 4.20 x 2.89 m, L x W x H) was kept at 26 oC room air temperature. Moderate heat...... to “neutral” compared to male, whose votes were closer to the “slightly warm” thermal sensation. The whole body TS acceptability was rated close to ''clearly acceptable'' (EN 15251-2007) and was independent of subject's gender for all tested systems....

  8. Thermal simulation of a cooling system of hybrid commercial vehicles; Thermalsimulation eine Hybrid-LKW-Kuehlsystems

    Energy Technology Data Exchange (ETDEWEB)

    Stroh, Christoph; Schnoerch, Stefan; Rathberger, Christian [Magna Powertrain Engineering Center Steyr GmbH und Co. KG, St. Valentin (Austria)

    2012-11-01

    In the past few years hybrid vehicles have been in the center of automotive engineering efforts, in particular in the field of passenger cars. But hybrid powertrains will also be important for commercial trucks. This focus on hybrid vehicles leads to high demands on thermal management since the additional components in a hybrid vehicle need appropriate cooling or even heating. In the given paper the simulation of a complete cooling system of a hybrid commercial vehicle will be explained. For this virtual examination the commercial 1D thermal management software KULI will be used, a co-simulation with several programs will not be done deliberately. Yet all aspects which are relevant for a global assessment of the thermal management are considered. The main focus is put on the investigation of appropriate concepts for the fluid circuits, including low and high temperature circuits, electric water pumps, etc. Moreover, also a refrigerant circuit with a chiller for active battery cooling will be used, the appropriate control strategy is implemented as well. For simulating transient profiles a simple driving simulation model is included, using road profile, ambient conditions, and various vehicle parameters as input. In addition an engine model is included which enables the investigation of fuel consumption potentials. This simulation model shows how the thermal management of a hybrid vehicle can be investigated with a single program and with reasonable effort. (orig.)

  9. In-flight thermal experiments for LISA Pathfinder: Simulating temperature noise at the Inertial Sensors

    International Nuclear Information System (INIS)

    Armano, M; Audley, H; Born, M; Danzmann, K; Diepholz, I; Auger, G; Binetruy, P; Baird, J; Bortoluzzi, D; Brandt, N; Fitzsimons, E; Bursi, A; Caleno, M; Cavalleri, A; Cesarini, A; Dolesi, R; Ferroni, V; Cruise, M; Dunbar, N; Ferraioli, L

    2015-01-01

    Thermal Diagnostics experiments to be carried out on board LISA Pathfinder (LPF) will yield a detailed characterisation of how temperature fluctuations affect the LTP (LISA Technology Package) instrument performance, a crucial information for future space based gravitational wave detectors as the proposed eLISA. Amongst them, the study of temperature gradient fluctuations around the test masses of the Inertial Sensors will provide as well information regarding the contribution of the Brownian noise, which is expected to limit the LTP sensitivity at frequencies close to 1 mHz during some LTP experiments. In this paper we report on how these kind of Thermal Diagnostics experiments were simulated in the last LPF Simulation Campaign (November, 2013) involving all the LPF Data Analysis team and using an end-to-end simulator of the whole spacecraft. Such simulation campaign was conducted under the framework of the preparation for LPF operations. (paper)

  10. ELECTROMAGNETIC AND THERMAL SIMULATIONS FOR THE SWITCH REGION OF A COMPACT PROTON ACCELERATOR

    International Nuclear Information System (INIS)

    Wang, L; Caporaso, G J; Sullivan, J S

    2007-01-01

    A compact proton accelerator for medical applications is being developed at Lawrence Livermore National Laboratory. The accelerator architecture is based on the dielectric wall accelerator (DWA) concept. One critical area to consider is the switch region. Electric field simulations and thermal calculations of the switch area were performed to help determine the operating limits of rmed SiC switches. Different geometries were considered for the field simulation including the shape of the thin Indium solder meniscus between the electrodes and SiC. Electric field simulations were also utilized to demonstrate how the field stress could be reduced. Both transient and steady steady-state thermal simulations were analyzed to find the average power capability of the switches

  11. Thermal and thermo-mechanical simulation of laser assisted machining

    International Nuclear Information System (INIS)

    Germain, G.; Dal Santo, P.; Lebrun, J. L.; Bellett, D.; Robert, P.

    2007-01-01

    Laser Assisted Machining (LAM) improves the machinability of materials by locally heating the workpiece just prior to cutting. The heat input is provided by a high power laser focused several millimeters in front of the cutting tool. Experimental investigations have confirmed that the cutting force can be decreased, by as much as 40%, for various materials (tool steel, titanium alloys and nickel alloys). The laser heat input is essentially superficial and results in non-uniform temperature profiles within the depth of the workpiece. The temperature field in the cutting zone is therefore influenced by many parameters. In order to understand the effect of the laser on chip formation and on the temperature fields in the different deformation zones, thermo-mechanical simulation were undertaken. A thermo-mechanical model for chip formation with and without the laser was also undertaken for different cutting parameters. Experimental tests for the orthogonal cutting of 42CrMo4 steel were used to validate the simulation via the prediction of the cutting force with and without the laser. The thermo-mechanical model then allowed us to highlight the differences in the temperature fields in the cutting zone with and without the laser. In particular, it was shown that for LAM the auto-heating of the material in the primary shear zone is less important and that the friction between the tool and chip also generates less heat. The temperature fields allow us to explain the reduction in the cutting force and the resulting residual stress fields in the workpiece

  12. A simplified tool for building layout design based on thermal comfort simulations

    Directory of Open Access Journals (Sweden)

    Prashant Anand

    2017-06-01

    Full Text Available Thermal comfort aspects of indoor spaces are crucial during the design stages of building layout planning. This study presents a simplified tool based on thermal comfort using predicted mean vote (PMV index. Thermal comfort simulations were performed for 14 different possible room layouts based on window configurations. ECOTECT 12 was used to determine the PMV of these rooms for one full year, leading to 17,808 simulations. Simulations were performed for three different climatic zones in India and were validated using in-situ measurements from one of these climatic zones. For moderate climates, rooms with window openings on the south façade exhibited the best thermal comfort conditions for nights, with comfort conditions prevailing for approximately 79.25% of the time annually. For operation during the day, windows on the north façade are favored, with thermal comfort conditions prevailing for approximately 77.74% of the time annually. Similar results for day and night time operation for other two climatic zones are presented. Such an output is essential in deciding the layout of buildings on the basis of functionality of the different rooms (living room, bedroom, kitchen corresponding to different operation times of the day.

  13. Thermal Field Analysis and Simulation of an Infrared Belt Furnace Used for Solar Cells

    Directory of Open Access Journals (Sweden)

    Bai Lu

    2014-01-01

    Full Text Available During solar cell firing, volatile organic compounds (VOC and a small number of metal particles were removed using the gas flow. When the gas flow was disturbed by the thermal field of infrared belt furnace and structure, the metal particles in the discharging gas flow randomly adhered to the surface of solar cell, possibly causing contamination. Meanwhile, the gas flow also affected the thermal uniformity of the solar cell. In this paper, the heating mechanism of the solar cell caused by radiation, convection, and conduction during firing was analyzed. Afterward, four 2-dimensional (2D models of the furnace were proposed. The transient thermal fields with different gas inlets, outlets, and internal structures were simulated. The thermal fields and the temperature of the solar cell could remain stable and uniform when the gas outlets were installed at the ends and in the middle of the furnace, with the gas inlets being distributed evenly. To verify the results, we produced four types of furnaces according to the four simulated results. The experimental results indicated that the thermal distribution of the furnace and the characteristics of the solar cells were consistent with the simulation. These experiments improved the efficiency of the solar cells while optimizing the solar cell manufacturing equipment.

  14. User's manual for computer code SOLTES-1 (simulator of large thermal energy systems)

    International Nuclear Information System (INIS)

    Fewell, M.E.; Grandjean, N.R.; Dunn, J.C.; Edenburn, M.W.

    1978-09-01

    SOLTES simulates the steady-state response of thermal energy systems to time-varying data such as weather and loads. Thermal energy system models of both simple and complex systems can easily be modularly constructed from a library of routines. These routines mathematically model solar collectors, pumps, switches, thermal energy storage, thermal boilers, auxiliary boilers, heat exchangers, extraction turbines, extraction turbine/generators, condensers, regenerative heaters, air conditioners, heating and cooling of buildings, process vapor, etc.; SOLTES also allows user-supplied routines. The analyst need only specify fluid names to obtain readout of property data for heat-transfer fluids and constants that characterize power-cycle working fluids from a fluid property data bank. A load management capability allows SOLTES to simulate total energy systems that simultaneously follow heat and power loads and demands. Generalized energy accounting is available, and values for system performance parameters may be automatically determined by SOLTES. Because of its modularity and flexibility, SOLTES can be used to simulate a wide variety of thermal energy systems such as solar power/total energy, fossil fuel power plants/total energy, nuclear power plants/total energy, solar energy heating and cooling, geothermal energy, and solar hot water heaters

  15. Design of 6 Mev linear accelerator based pulsed thermal neutron source: FLUKA simulation and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Patil, B.J., E-mail: bjp@physics.unipune.ac.in [Department of Physics, University of Pune, Pune 411 007 (India); Chavan, S.T.; Pethe, S.N.; Krishnan, R. [SAMEER, IIT Powai Campus, Mumbai 400 076 (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Pune 411 007 (India); Dhole, S.D., E-mail: sanjay@physics.unipune.ac.in [Department of Physics, University of Pune, Pune 411 007 (India)

    2012-01-15

    The 6 MeV LINAC based pulsed thermal neutron source has been designed for bulk materials analysis. The design was optimized by varying different parameters of the target and materials for each region using FLUKA code. The optimized design of thermal neutron source gives flux of 3 Multiplication-Sign 10{sup 6}ncm{sup -2}s{sup -1} with more than 80% of thermal neutrons and neutron to gamma ratio was 1 Multiplication-Sign 10{sup 4}ncm{sup -2}mR{sup -1}. The results of prototype experiment and simulation are found to be in good agreement with each other. - Highlights: Black-Right-Pointing-Pointer The optimized 6 eV linear accelerator based thermal neutron source using FLUKA simulation. Black-Right-Pointing-Pointer Beryllium as a photonuclear target and reflector, polyethylene as a filter and shield, graphite as a moderator. Black-Right-Pointing-Pointer Optimized pulsed thermal neutron source gives neutron flux of 3 Multiplication-Sign 10{sup 6} n cm{sup -2} s{sup -1}. Black-Right-Pointing-Pointer Results of the prototype experiment were compared with simulations and are found to be in good agreement. Black-Right-Pointing-Pointer This source can effectively be used for the study of bulk material analysis and activation products.

  16. Thermal boundary resistance at Si/Ge interfaces by molecular dynamics simulation

    Directory of Open Access Journals (Sweden)

    Tianzhuo Zhan

    2015-04-01

    Full Text Available In this study, we investigated the temperature dependence and size effect of the thermal boundary resistance at Si/Ge interfaces by non-equilibrium molecular dynamics (MD simulations using the direct method with the Stillinger-Weber potential. The simulations were performed at four temperatures for two simulation cells of different sizes. The resulting thermal boundary resistance decreased with increasing temperature. The thermal boundary resistance was smaller for the large cell than for the small cell. Furthermore, the MD-predicted values were lower than the diffusion mismatch model (DMM-predicted values. The phonon density of states (DOS was calculated for all the cases to examine the underlying nature of the temperature dependence and size effect of thermal boundary resistance. We found that the phonon DOS was modified in the interface regions. The phonon DOS better matched between Si and Ge in the interface region than in the bulk region. Furthermore, in interface Si, the population of low-frequency phonons was found to increase with increasing temperature and cell size. We suggest that the increasing population of low-frequency phonons increased the phonon transmission coefficient at the interface, leading to the temperature dependence and size effect on thermal boundary resistance.

  17. Experiments and numerical simulations of fluctuating thermal stratification in a branch pipe

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, Akira; Murase, Michio; Sasaki, Toru [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan); Takenaka, Nobuyuki; Hamatani, Daisuke [Kobe Univ. (Japan)

    2002-09-01

    Many pipes branch off from the main pipe in plants. When the main flow in the main pipe is hotter than a branch pipe that branches off downward, the hot water penetrates into the branch pipe with the cavity flow that is induced by the main flow and causes thermal stratification. If the interface of the stratification fluctuates in an occluded branch pipe, thermal fatigue may occur in pipe wall. Some experiments and numerical simulations were conducted to elucidate the mechanism of this fluctuating thermal stratification. The vortex structures were observed in the experiments of straight or bent branch pipes. When the main flow was heated and the thermal stratification interface was at the elbow, a ''burst'' phenomenon occurred in the interface in connection with large heat fluctuation. The effects of pipe shape on the length of penetration were investigated in order to modify simulation conditions. The vortex structures and the fluctuating thermal stratification at elbow in the numerical simulation showed good agreement with experiments. (author)

  18. Parallel linear solvers for simulations of reactor thermal hydraulics

    International Nuclear Information System (INIS)

    Yan, Y.; Antal, S.P.; Edge, B.; Keyes, D.E.; Shaver, D.; Bolotnov, I.A.; Podowski, M.Z.

    2011-01-01

    The state-of-the-art multiphase fluid dynamics code, NPHASE-CMFD, performs multiphase flow simulations in complex domains using implicit nonlinear treatment of the governing equations and in parallel, which is a very challenging environment for the linear solver. The present work illustrates how the Portable, Extensible Toolkit for Scientific Computation (PETSc) and scalable Algebraic Multigrid (AMG) preconditioner from Hypre can be utilized to construct robust and scalable linear solvers for the Newton correction equation obtained from the discretized system of governing conservation equations in NPHASE-CMFD. The overall long-tem objective of this work is to extend the NPHASE-CMFD code into a fully-scalable solver of multiphase flow and heat transfer problems, applicable to both steady-state and stiff time-dependent phenomena in complete fuel assemblies of nuclear reactors and, eventually, the entire reactor core (such as the Virtual Reactor concept envisioned by CASL). This campaign appropriately begins with the linear algebraic equation solver, which is traditionally a bottleneck to scalability in PDE-based codes. The computational complexity of the solver is usually superlinear in problem size, whereas the rest of the code, the “physics” portion, usually has its complexity linear in the problem size. (author)

  19. The effects of pen partitions and thermal pig simulators on airflow in a livestock test room

    DEFF Research Database (Denmark)

    Bjerg, B.; Svidt, Kjeld; Zhang, G.

    2000-01-01

    measurements and CFD simulations showed that the introduction of pen partitions and thermal pig simulators reduced the air velocities in the occupied zone of the test room. Detailed geometric modelling of the animals might often be unnecessary for simulation of airflow in livestock rooms. This will especially......The aim of this work was to investigate the influence of pen partitions and heated simulated pigs on airflow in a slot ventilated test room and to evaluate computer fluid dynamics (CFD) as a tool to predict airflow in livestock rooms. To obtain two-dimensional flow in the occupied zone, four...... guiding plates were mounted beneath the ceiling in the test room. Experiments were carried out in three arrangements: (a) the room with guiding plates; (b) the room with guiding plates and eight heated pig simulators; and (c) the room with guiding plates, eight heated pig simulators and 0.8 m high...

  20. Simulation of thermal environment in a three-layer vinyl greenhouse by natural ventilation control

    Science.gov (United States)

    Jin, Tea-Hwan; Shin, Ki-Yeol; Yoon, Si-Won; Im, Yong-Hoon; Chang, Ki-Chang

    2017-11-01

    A high energy, efficient, harmonious, ecological greenhouse has been highlighted by advanced future agricultural technology recently. This greenhouse is essential for expanding the production cycle toward growth conditions through combined thermal environmental control. However, it has a negative effect on farming income via huge energy supply expenses. Because not only production income, but operating costs related to thermal load for thermal environment control is important in farming income, it needs studies such as a harmonious ecological greenhouse using natural ventilation control. This study is simulated for energy consumption and thermal environmental conditions in a three-layered greenhouse by natural ventilation using window opening. A virtual 3D model of a three-layered greenhouse was designed based on the real one in the Gangneung area. This 3D model was used to calculate a thermal environment state such as indoor temperature, relative humidity, and thermal load in the case of a window opening rate from 0 to 100%. There was also a heat exchange operated for heating or cooling controlled by various setting temperatures. The results show that the cooling load can be reduced by natural ventilation control in the summer season, and the heat exchange capacity for heating can also be simulated for growth conditions in the winter season.

  1. Simulation of thermal environment in a three-layer vinyl greenhouse by natural ventilation control

    Directory of Open Access Journals (Sweden)

    Jin Tea-Hwan

    2017-01-01

    Full Text Available A high energy, efficient, harmonious, ecological greenhouse has been highlighted by advanced future agricultural technology recently. This greenhouse is essential for expanding the production cycle toward growth conditions through combined thermal environmental control. However, it has a negative effect on farming income via huge energy supply expenses. Because not only production income, but operating costs related to thermal load for thermal environment control is important in farming income, it needs studies such as a harmonious ecological greenhouse using natural ventilation control. This study is simulated for energy consumption and thermal environmental conditions in a three-layered greenhouse by natural ventilation using window opening. A virtual 3D model of a three-layered greenhouse was designed based on the real one in the Gangneung area. This 3D model was used to calculate a thermal environment state such as indoor temperature, relative humidity, and thermal load in the case of a window opening rate from 0 to 100%. There was also a heat exchange operated for heating or cooling controlled by various setting temperatures. The results show that the cooling load can be reduced by natural ventilation control in the summer season, and the heat exchange capacity for heating can also be simulated for growth conditions in the winter season.

  2. Development of the NSSS thermal-hydraulic program for YGN unit 1 simulator

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyung Doo; Jeong, Jae Jun; Lee, Won Jae; Chung, Bub Dong; Ha, Kwi Seok; Kang, Kyung Ho

    2000-09-01

    The NSSS thermal-hydraulic programs installed in the domestic full-scope power plant simulators were provided in early 1980s by foreign vendors. Because of limited computational capability at that time, they usually adopt very simplified physical models for a real-time simulation of NSSS thermal-hydraulic phenomena, which entails inaccurate results and the possibility of so-called 'negative training', especially for complicated two-phase flows in the reactor coolant system. To resolve the problem, we developed a realistic NSSS T/H program (named 'ARTS' code) for use in YongGwang Nuclear Unit 1 full-scope simulator. The best-estimate code RETRAN03, developed by EPRI and approved by USNRC, was selected as a reference code of ARTS. For the development of ARTS, the followings have been performed: -Improvement of the robustness of RETRAN - Improvement of the real-time simulation capability of RETRAN - Optimum input data generation for the NSSS simulation - New model development that cannot be efficiently modeled by RETRAN - Assessment of the ARTS code. The systematic assessment of ARTS has been conducted in both personal computers (Windows 98, Visual fortran) and the simulator development environment (Windows NT, GSE simulator development tool). The results were resonable in terms of accuracy, real-time simulation and robustness.

  3. Development of the NSSS thermal-hydraulic program for YGN unit 1 simulator

    International Nuclear Information System (INIS)

    Kim, Kyung Doo; Jeong, Jae Jun; Lee, Won Jae; Chung, Bub Dong; Ha, Kwi Seok; Kang, Kyung Ho

    2000-09-01

    The NSSS thermal-hydraulic programs installed in the domestic full-scope power plant simulators were provided in early 1980s by foreign vendors. Because of limited computational capability at that time, they usually adopt very simplified physical models for a real-time simulation of NSSS thermal-hydraulic phenomena, which entails inaccurate results and the possibility of so-called 'negative training', especially for complicated two-phase flows in the reactor coolant system. To resolve the problem, we developed a realistic NSSS T/H program (named 'ARTS' code) for use in YongGwang Nuclear Unit 1 full-scope simulator. The best-estimate code RETRAN03, developed by EPRI and approved by USNRC, was selected as a reference code of ARTS. For the development of ARTS, the followings have been performed: -Improvement of the robustness of RETRAN - Improvement of the real-time simulation capability of RETRAN - Optimum input data generation for the NSSS simulation - New model development that cannot be efficiently modeled by RETRAN - Assessment of the ARTS code. The systematic assessment of ARTS has been conducted in both personal computers (Windows 98, Visual fortran) and the simulator development environment (Windows NT, GSE simulator development tool). The results were resonable in terms of accuracy, real-time simulation and robustness

  4. Comparison of fabric skins for the simulation of sweating on thermal manikins

    Science.gov (United States)

    Koelblen, Barbara; Psikuta, Agnes; Bogdan, Anna; Annaheim, Simon; Rossi, René M.

    2017-09-01

    Sweating is an important thermoregulatory process helping to dissipate heat and, thus, to prevent overheating of the human body. Simulations of human thermo-physiological responses in hot conditions or during exercising are helpful for assessing heat stress; however, realistic sweating simulation and evaporative cooling is needed. To this end, thermal manikins dressed with a tight fabric skin can be used, and the properties of this skin should help human-like sweat evaporation simulation. Four fabrics, i.e., cotton with elastane, polyester, polyamide with elastane, and a skin provided by a manikin manufacturer (Thermetrics) were compared in this study. The moisture management properties of the fabrics have been investigated in basic tests with regard to all phases of sweating relevant for simulating human thermo-physiological responses, namely, onset of sweating, fully developed sweating, and drying. The suitability of the fabrics for standard tests, such as clothing evaporative resistance measurements, was evaluated based on tests corresponding to the middle phase of sweating. Simulations with a head manikin coupled to a thermo-physiological model were performed to evaluate the overall performance of the skins. The results of the study showed that three out of four evaluated fabrics have adequate moisture management properties with regard to the simulation of sweating, which was confirmed in the coupled simulation with the head manikin. The presented tests are helpful for comparing the efficiency of different fabrics to simulate sweat-induced evaporative cooling on thermal manikins.

  5. Thermal inertia and energy efficiency – Parametric simulation assessment on a calibrated case study

    International Nuclear Information System (INIS)

    Aste, Niccolò; Leonforte, Fabrizio; Manfren, Massimiliano; Mazzon, Manlio

    2015-01-01

    Highlights: • We perform a parametric simulation study on a calibrated building energy model. • We introduce adaptive shadings and night free cooling in simulations. • We analyze the effect of thermal capacity on the parametric simulations results. • We recognize that cooling demand and savings scales linearly with thermal capacity. • We assess the advantage of medium-heavy over medium and light configurations. - Abstract: The reduction of energy consumption for heating and cooling services in the existing building stock is a key challenge for global sustainability today and buildings’ envelopes retrofit is one the main issues. Most of the existing buildings’ envelopes have low levels of insulation, high thermal losses due to thermal bridges and cracks, absence of appropriate solar control, etc. Further, in building refurbishment, the importance of a system level approach is often undervalued in favour of simplistic “off the shelf” efficient solutions, focused on the reduction of thermal transmittance and on the enhancement of solar control capabilities. In many cases, the importance of the dynamic thermal properties is often neglected or underestimated and the effective thermal capacity is not properly considered as one of the design parameters. The research presented aims to critically assess the influence of the dynamic thermal properties of the building fabric (roof, walls and floors) on sensible heating and cooling energy demand for a case study. The case study chosen is an existing office building which has been retrofitted in recent years and whose energy model has been calibrated according to the data collected in the monitoring process. The research illustrates the variations of the sensible thermal energy demand of the building in different retrofit scenarios, and relates them to the variations of the dynamic thermal properties of the construction components. A parametric simulation study has been performed, encompassing the use of

  6. Model of natural ventilation by using a coupled thermal-airflow simulation program

    DEFF Research Database (Denmark)

    Oropeza-Perez, Ivan; Østergaard, Poul Alberg; Remmen, Arne

    2012-01-01

    This article presents a model of natural ventilation of buildings at the stage of design and a consequence of the behaviour of the occupants. An evaluation is made by coupling multizone air modelling and thermal building simulation using a deterministic set of input factors comprising among others...

  7. Application of thermal sterilization regimes simulation for improvement of canned foods quality factors

    Directory of Open Access Journals (Sweden)

    Stolyanov A.V.

    2015-03-01

    Full Text Available Results of comparison of optimization methods of thermal sterilization temperature-time regimes have been described. It has been shown that due to simulation the final canned foods’ quality factors are significantly improved, sterilization process time is decreased and energy consumption is reduced without sacrificing actual final lethality value

  8. Dynamic simulation of a biomass domestic boiler under thermally thick considerations

    NARCIS (Netherlands)

    Gómez, M. A.; Porteiro, J.; De la Cuesta de Cal, Daniel; Patiño, D.; Míguez, J. L.

    2017-01-01

    A biomass combustion model with a thermally thick approach is presented and applied to the simulation of a commercial biomass domestic boiler. A subgrid scale model is used to divide the particles into several grid points, each representing one of the different combustion stages. These grid points

  9. Molecular-dynamics simulation of crystalline 18-crown-6: thermal shortening of covalent bonds

    NARCIS (Netherlands)

    van Eerden, J.; Harkema, Sybolt; Feil, D.

    1990-01-01

    Molecular-dynamics simulations of crystalline 18-crown-6 have been performed in a study of the apparent thermal shortening of covalent bonds observed in crystal structures. At 100 K, a shortening of 0.006 _+ 0.001 A for C----C and C----O bonds was obtained. This result was found to be independent of

  10. Advances in thermal hydraulic and neutronic simulation for reactor analysis and safety

    International Nuclear Information System (INIS)

    Tentner, A.M.; Blomquist, R.N.; Canfield, T.R.; Ewing, T.F.; Garner, P.L.; Gelbard, E.M.; Gross, K.C.; Minkoff, M.; Valentin, R.A.

    1993-01-01

    This paper describes several large-scale computational models developed at Argonne National Laboratory for the simulation and analysis of thermal-hydraulic and neutronic events in nuclear reactors and nuclear power plants. The impact of advanced parallel computing technologies on these computational models is emphasized

  11. Numerical simulation of thermal stratification in cold legs by using OpenFOAM

    International Nuclear Information System (INIS)

    Cai, Jiejin; Watanabe, Tadashi

    2011-01-01

    During a small-break loss-of-coolant accident in pressurized water reactors (PWRs), emergency core cooling system (ECCS) is actuated and cold water is injected into cold legs. Insufficient mixing of injected cold water and hot primary coolant results in thermal stratification, which is a matter of concern for evaluation of pressurized thermal shock (PTS) in view of aging and life extension of nuclear power plants. In this study, an open source CFD software, OpenFOAM, is used to simulate mixing and thermal stratification in the cold leg of ROSA/LSTF, which is the largest thermal-hydraulic integral test facility simulating PWR. One of the cold-leg is numerically simulated from the outlet of primary coolant pump to the inlet of downcomer. ECCS water is injected from injection nozzle connected at the top of the cold leg into the steady-state natural circulation flow under high-pressure and high-temperature conditions. The temperature distribution in the cold leg is compared with experimental and FLUENT's results. Effects of turbulent flow models and secondary flow due to the elbow section of the cold leg are discussed for the case with the single-phase natural circulation. Injection into a two-phase stratified flow is also simulated and predictive and numerical capabilities of OpenFOAM are discussed. (author)

  12. Numerical simulation of thermal stratification in cold legs by using openFOAM

    International Nuclear Information System (INIS)

    Cai, Jiejin; Watanabe, Tadashi

    2010-01-01

    During a small-break loss-of-coolant accident in pressurized water reactors (PWRs), emergency core cooling system (ECCS) is actuated and cold water is injected into cold legs. Insufficient mixing of injected cold water and hot primary coolant results in thermal stratification, which is a matter of concern for evaluation of pressurized thermal shock (PTS) in view of aging and life extension of nuclear power plants. In this study, an open source CFD software, OpenFOAM, is used to simulate mixing and thermal stratification in the cold leg of ROSA/LSTF, which is the largest thermal-hydraulic integral test facility simulating PWR. One of the cold-leg is numerically simulated from the outlet of primary coolant pump to the inlet of downcomer. ECCS water is injected from injection nozzle connected at the top of the cold leg into the steady-state natural circulation flow under high-pressure and high-temperature conditions. The temperature distribution in the cold leg is compared with experimental and FLUENT's results. Effects of turbulent flow models and secondary flow due to the elbow section of the cold leg are discussed for the case with the single-phase natural circulation. Injection into a two-phase stratified flow is also simulated and predictive and numerical capabilities of OpenFOAM are discussed. (author)

  13. Thermal conductivity of nanofluids and size distribution of nanoparticles by Monte Carlo simulations

    International Nuclear Information System (INIS)

    Feng Yongjin; Yu Boming; Feng Kaiming; Xu Peng; Zou Mingqing

    2008-01-01

    Nanofluids, a class of solid-liquid suspensions, have received an increasing attention and studied intensively because of their anomalously high thermal conductivites at low nanoparticle concentration. Based on the fractal character of nanoparticles in nanofluids, the probability model for nanoparticle's sizes and the effective thermal conductivity model are derived, in which the effect of the microconvection due to the Brownian motion of nanoparticles in the fluids is taken into account. The proposed model is expressed as a function of the thermal conductivities of the base fluid and the nanoparticles, the volume fraction, fractal dimension for particles, the size of nanoparticles, and the temperature, as well as random number. This model has the characters of both analytical and numerical solutions. The Monte Carlo simulations combined with the fractal geometry theory are performed. The predictions by the present Monte Carlo simulations are shown in good accord with the existing experimental data.

  14. NEUPAC, Experimental Neutron Spectra Unfolding with Sensitivities

    International Nuclear Information System (INIS)

    Sasaki, Makoto; Nakazawa, Masaharu

    1986-01-01

    1 - Description of problem or function: The code is able to determine the integral quantities and their sensitivities, together with an estimate of the unfolded spectrum and integral quantities. The code also performs a chi-square test of the input/output data, and contains many options for the calculational routines. 2 - Method of solution: The code is based on the J1-type unfolding method, and the estimated neutron flux spectrum is obtained as its solution. 3 - Restrictions on the complexity of the problem: The maximum number of energy groups used for unfolding is 620. The maximum number of reaction rates and the window functions given as input is 20. The total storage requirement depends on the amount of input data

  15. Unfolding energetics and stability of banana lectin.

    Science.gov (United States)

    Gupta, Garima; Sinha, Sharmistha; Surolia, Avadhesha

    2008-08-01

    The unfolding pathway of banana lectin from Musa paradisiaca was determined by isothermal denaturation induced by the chaotrope GdnCl. The unfolding was found to be a reversible process. The data obtained by isothermal denaturation provided information on conformational stability of banana lectin. The high values of DeltaG of unfolding at various temperatures indicated the strength of intersubunit interactions. It was found that banana lectin is a very stable and denatures at high chaotrope concentrations only. The basis of the stability may be attributed to strong hydrogen bonds of the order 2.5-3.1 A at the dimeric interface along with the presence of water bridges. This is perhaps very unique example in proteins where subunit association is not a consequence of the predominance of hydrophobic interactions. (c) 2008 Wiley-Liss, Inc.

  16. Characterization and error analysis of an N×N unfolding procedure applied to filtered, photoelectric x-ray detector arrays. II. Error analysis and generalization

    Directory of Open Access Journals (Sweden)

    D. L. Fehl

    2010-12-01

    Full Text Available A five-channel, filtered-x-ray-detector (XRD array has been used to measure time-dependent, soft-x-ray flux emitted by z-pinch plasmas at the Z pulsed-power accelerator (Sandia National Laboratories, Albuquerque, New Mexico, USA. The preceding, companion paper [D. L. Fehl et al., Phys. Rev. ST Accel. Beams 13, 120402 (2010PRABFM1098-4402] describes an algorithm for spectral reconstructions (unfolds and spectrally integrated flux estimates from data obtained by this instrument. The unfolded spectrum S_{unfold}(E,t is based on (N=5 first-order B-splines (histograms in contiguous unfold bins j=1,…,N; the recovered x-ray flux F_{unfold}(t is estimated as ∫S_{unfold}(E,tdE, where E is x-ray energy and t is time. This paper adds two major improvements to the preceding unfold analysis: (a Error analysis.—Both data noise and response-function uncertainties are propagated into S_{unfold}(E,t and F_{unfold}(t. Noise factors ν are derived from simulations to quantify algorithm-induced changes in the noise-to-signal ratio (NSR for S_{unfold} in each unfold bin j and for F_{unfold} (ν≡NSR_{output}/NSR_{input}: for S_{unfold}, 1≲ν_{j}≲30, an outcome that is strongly spectrally dependent; for F_{unfold}, 0.6≲ν_{F}≲1, a result that is less spectrally sensitive and corroborated independently. For nominal z-pinch experiments, the combined uncertainty (noise and calibrations in F_{unfold}(t at peak is estimated to be ∼15%. (b Generalization of the unfold method.—Spectral sensitivities (called here passband functions are constructed for S_{unfold} and F_{unfold}. Predicting how the unfold algorithm reconstructs arbitrary spectra is thereby reduced to quadratures. These tools allow one to understand and quantitatively predict algorithmic distortions (including negative artifacts, to identify potentially troublesome spectra, and to design more useful response functions.

  17. Urea-temperature phase diagrams capture the thermodynamics of denatured state expansion that accompany protein unfolding

    Science.gov (United States)

    Tischer, Alexander; Auton, Matthew

    2013-01-01

    We have analyzed the thermodynamic properties of the von Willebrand factor (VWF) A3 domain using urea-induced unfolding at variable temperature and thermal unfolding at variable urea concentrations to generate a phase diagram that quantitatively describes the equilibrium between native and denatured states. From this analysis, we were able to determine consistent thermodynamic parameters with various spectroscopic and calorimetric methods that define the urea–temperature parameter plane from cold denaturation to heat denaturation. Urea and thermal denaturation are experimentally reversible and independent of the thermal scan rate indicating that all transitions are at equilibrium and the van't Hoff and calorimetric enthalpies obtained from analysis of individual thermal transitions are equivalent demonstrating two-state character. Global analysis of the urea–temperature phase diagram results in a significantly higher enthalpy of unfolding than obtained from analysis of individual thermal transitions and significant cross correlations describing the urea dependence of and that define a complex temperature dependence of the m-value. Circular dichroism (CD) spectroscopy illustrates a large increase in secondary structure content of the urea-denatured state as temperature increases and a loss of secondary structure in the thermally denatured state upon addition of urea. These structural changes in the denatured ensemble make up ∼40% of the total ellipticity change indicating a highly compact thermally denatured state. The difference between the thermodynamic parameters obtained from phase diagram analysis and those obtained from analysis of individual thermal transitions illustrates that phase diagrams capture both contributions to unfolding and denatured state expansion and by comparison are able to decipher these contributions. PMID:23813497

  18. Regularization and error assignment to unfolded distributions

    CERN Document Server

    Zech, Gunter

    2011-01-01

    The commonly used approach to present unfolded data only in graphical formwith the diagonal error depending on the regularization strength is unsatisfac-tory. It does not permit the adjustment of parameters of theories, the exclusionof theories that are admitted by the observed data and does not allow the com-bination of data from different experiments. We propose fixing the regulariza-tion strength by a p-value criterion, indicating the experimental uncertaintiesindependent of the regularization and publishing the unfolded data in additionwithout regularization. These considerations are illustrated with three differentunfolding and smoothing approaches applied to a toy example.

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

    Directory of Open Access Journals (Sweden)

    Mahdi Nabil

    2016-01-01

    Full Text Available 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.

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

    Science.gov (United States)

    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.

  1. Effect of point defects on the thermal conductivity of UO2: molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiang-Yang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-07-21

    The thermal conductivity of uranium dioxide (UO2) fuel is an important materials property that affects fuel performance since it is a key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. [1] The thermal conductivity of UO2 nuclear fuel is also affected by fission gas, fission products, defects, and microstructural features such as grain boundaries. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of irradiation induced point defects on the thermal conductivity of UO2, as a function of defect concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel [2].

  2. Impact of vacancies on the thermal conductivity of graphene nanoribbons: A molecular dynamics simulation study

    Directory of Open Access Journals (Sweden)

    Maliha Noshin

    2017-01-01

    Full Text Available Equilibrium molecular dynamics simulation using 2nd generation Reactive Bond Order interatomic potential has been performed to model the thermal transport of nanometer sized zigzag defected graphene nanoribbons (GNRs containing several types of vacancies. We have investigated the thermal conductivity of defected GNRs as a function of vacancy concentration within a range of 0.5% to 5% and temperature ranging from 300K to 600K, along with a comparative analysis of those for pristine GNRs. We find that, a vacancy concentration of 0.5% leads to over 90% reduction in the thermal conductivity of GNRs. At low defect concentration, the decay rate is faster but ceases gradually at higher defect concentration. With the increasing temperature, thermal conductivity of defected GNRs decreases but shows less variation in comparison with that of pristine GNRs at higher temperatures. Such comprehensive study on several vacancy type defects in GNRs can provide further insight to tune up the thermal transport characteristics of low dimensional carbon nanostructures. This eventually would encourage the characterization of more stable thermal properties in thermal devices at an elevated temperature as well as the potential applicability of GNRs as thermoelectrics.

  3. Thermal large Eddy simulations and experiments in the framework of non-isothermal blowing

    International Nuclear Information System (INIS)

    Brillant, G.

    2004-06-01

    The aim of this work is to study thermal large-eddy simulations and to determine the nonisothermal blowing impact on a turbulent boundary layer. An experimental study is also carried out in order to complete and validate simulation results. In a first time, we developed a turbulent inlet condition for the velocity and the temperature, which is necessary for the blowing simulations.We studied the asymptotic behavior of the velocity, the temperature and the thermal turbulent fluxes in a large-eddy simulation point of view. We then considered dynamics models for the eddy-diffusivity and we simulated a turbulent channel flow with imposed temperature, imposed flux and adiabatic walls. The numerical and experimental study of blowing permitted to obtain to the modifications of a thermal turbulent boundary layer with the blowing rate. We observed the consequences of the blowing on mean and rms profiles of velocity and temperature but also on velocity-velocity and velocity-temperature correlations. Moreover, we noticed an increase of the turbulent structures in the boundary layer with blowing. (author)

  4. TRSM-a thermal-hydraulic real-time simulation model for PWR

    International Nuclear Information System (INIS)

    Zhou Weichang

    1997-01-01

    TRSM (a Thermal-hydraulic Real-time Simulation Model) has been developed for PWR real-time simulation and best-estimate prediction of normal operating and abnormal accident conditions. It is a non-equilibrium two phase flow thermal-hydraulic model based on five basic conservation equations. A drift flux model is used to account for the unequal velocities of liquid and gaseous mixture, with or without the presence of the noncondensibles. Critical flow models are applied for break flow and valve flow calculations. A 5-regime two phase heat convection model is applied for clad-to-coolant as well as fluid-to-tubing heat transfer. A rigorous reactor coolant pump model is used to calculate the pressure drop and rise for the suction and discharge ends with complete pump characteristics curves included. The TRSM model has been adapted in the full-scale training simulator of Qinshan Nuclear Power Plant 300 MW unit to simulate the thermal-hydraulic performance of the NSSS. The simulation results of a cold leg LOCA and a steam generator tube rupture (SGTR) accident are presented

  5. Numerical Simulations of Pillar Structured Solid State Thermal Neutron Detector Efficiency and Gamma Discrimination

    Energy Technology Data Exchange (ETDEWEB)

    Conway, A; Wang, T; Deo, N; Cheung, C; Nikolic, R

    2008-06-24

    This work reports numerical simulations of a novel three-dimensionally integrated, {sup 10}boron ({sup 10}B) and silicon p+, intrinsic, n+ (PIN) diode micropillar array for thermal neutron detection. The inter-digitated device structure has a high probability of interaction between the Si PIN pillars and the charged particles (alpha and {sup 7}Li) created from the neutron - {sup 10}B reaction. In this work, the effect of both the 3-D geometry (including pillar diameter, separation and height) and energy loss mechanisms are investigated via simulations to predict the neutron detection efficiency and gamma discrimination of this structure. The simulation results are demonstrated to compare well with the measurement results. This indicates that upon scaling the pillar height, a high efficiency thermal neutron detector is possible.

  6. Simulation of attenuation of thermal fluctuations near a plate impinged by jets

    International Nuclear Information System (INIS)

    Simoneau, J.P.

    2001-01-01

    In nuclear reactors, and especially in liquid sodium cooled ones, the combination of temperature differences inside cooling fluid, turbulent flows and high heat transfer coefficients is a potential source of the thermal striping process. Such a phenomenon has been studied for several years by using Large Eddy Simulation models. The present paper focuses on the attenuation of the thermal fluctuations in the boundary layer. The knowledge of this amplitude reduction is of prime importance for subsequent mechanical analyses. A Large Eddy Simulation model is implemented in the Star-cd code, including discretization of the viscous sublayer. The numerical simulation of two parallel jets impinging a flat plate in water is then performed and positively compared to corresponding experimental results. (author)

  7. A neutron spectrum unfolding computer code based on artificial neural networks

    Science.gov (United States)

    Ortiz-Rodríguez, J. M.; Reyes Alfaro, A.; Reyes Haro, A.; Cervantes Viramontes, J. M.; Vega-Carrillo, H. R.

    2014-02-01

    The Bonner Spheres Spectrometer consists of a thermal neutron sensor placed at the center of a number of moderating polyethylene spheres of different diameters. From the measured readings, information can be derived about the spectrum of the neutron field where measurements were made. Disadvantages of the Bonner system are the weight associated with each sphere and the need to sequentially irradiate the spheres, requiring long exposure periods. Provided a well-established response matrix and adequate irradiation conditions, the most delicate part of neutron spectrometry, is the unfolding process. The derivation of the spectral information is not simple because the unknown is not given directly as a result of the measurements. The drawbacks associated with traditional unfolding procedures have motivated the need of complementary approaches. Novel methods based on Artificial Intelligence, mainly Artificial Neural Networks, have been widely investigated. In this work, a neutron spectrum unfolding code based on neural nets technology is presented. This code is called Neutron Spectrometry and Dosimetry with Artificial Neural networks unfolding code that was designed in a graphical interface. The core of the code is an embedded neural network architecture previously optimized using the robust design of artificial neural networks methodology. The main features of the code are: easy to use, friendly and intuitive to the user. This code was designed for a Bonner Sphere System based on a 6LiI(Eu) neutron detector and a response matrix expressed in 60 energy bins taken from an International Atomic Energy Agency compilation. The main feature of the code is that as entrance data, for unfolding the neutron spectrum, only seven rate counts measured with seven Bonner spheres are required; simultaneously the code calculates 15 dosimetric quantities as well as the total flux for radiation protection purposes. This code generates a full report with all information of the unfolding in

  8. 3D thermal simulations and modeling of multi-finger InP DHBTs for millimeter-wave power amplifiers

    DEFF Research Database (Denmark)

    Midili, Virginio; Nodjiadjim, V.; Johansen, Tom Keinicke

    2017-01-01

    This paper presents the comparison between the simulated and measured thermal resistance of InP Double Heterojunction Bipolar Transistors (DHBT). 3D thermal simulations were carried out in order to compute the temperature distribution across the full structure due to a constant power excitation...

  9. The effect of thermal velocities on structure formation in N-body simulations of warm dark matter

    Science.gov (United States)

    Leo, Matteo; Baugh, Carlton M.; Li, Baojiu; Pascoli, Silvia

    2017-11-01

    We investigate the impact of thermal velocities in N-body simulations of structure formation in warm dark matter models. Adopting the commonly used approach of adding thermal velocities, randomly selected from a Fermi-Dirac distribution, to the gravitationally-induced velocities of the simulation particles, we compare the matter and velocity power spectra measured from CDM and WDM simulations, in the latter case with and without thermal velocities. This prescription for adding thermal velocities introduces numerical noise into the initial conditions, which influences structure formation. At early times, the noise affects dramatically the power spectra measured from simulations with thermal velocities, with deviations of the order of ~ Script O(10) (in the matter power spectra) and of the order of ~ Script O(102) (in the velocity power spectra) compared to those extracted from simulations without thermal velocities. At late times, these effects are less pronounced with deviations of less than a few percent. Increasing the resolution of the N-body simulation shifts these discrepancies to higher wavenumbers. We also find that spurious haloes start to appear in simulations which include thermal velocities at a mass that is ~3 times larger than in simulations without thermal velocities.

  10. A model selection support system for numerical simulations of nuclear thermal-hydraulics

    International Nuclear Information System (INIS)

    Gofuku, Akio; Shimizu, Kenji; Sugano, Keiji; Yoshikawa, Hidekazu; Wakabayashi, Jiro

    1990-01-01

    In order to execute efficiently a dynamic simulation of a large-scaled engineering system such as a nuclear power plant, it is necessary to develop intelligent simulation support system for all phases of the simulation. This study is concerned with the intelligent support for the program development phase and is engaged in the adequate model selection support method by applying AI (Artificial Intelligence) techniques to execute a simulation consistent with its purpose and conditions. A proto-type expert system to support the model selection for numerical simulations of nuclear thermal-hydraulics in the case of cold leg small break loss-of-coolant accident of PWR plant is now under development on a personal computer. The steps to support the selection of both fluid model and constitutive equations for the drift flux model have been developed. Several cases of model selection were carried out and reasonable model selection results were obtained. (author)

  11. A non-equilibrium simulation of thermal constriction in a cascaded arc hydrogen plasma

    International Nuclear Information System (INIS)

    Peerenboom, K S C; Goedheer, W J; Van Dijk, J; Kroesen, G M W

    2014-01-01

    The cascaded arc hydrogen plasma of Pilot-PSI is studied in a non-LTE model. We demonstrate that the effect of vibrationally excited molecules on the heavy-particle-assisted dissociation is crucial for obtaining thermal constriction. To the best of our knowledge, thermal constriction has not been obtained before in a non-LTE simulation. Probably, realistic numerical studies of this type of plasma were hindered by numerical problems, preventing the non-LTE simulations to show characteristic physical mechanisms such as thermal constriction. In this paper we show that with the help of appropriate numerical strategies thermal constriction can be obtained in a non-LTE simulation. To this end, a new source term linearization technique is developed, which ensures physical solutions even near chemical equilibrium where the composition is dominated by chemical source terms. Results of the model are compared with experiments on Pilot-PSI and show good agreement with pressure and voltage measurements in the source. (paper)

  12. Standard Practice for Solar Simulation for Thermal Balance Testing of Spacecraft

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    1973-01-01

    1.1 Purpose: 1.1.1 The primary purpose of this practice is to provide guidance for making adequate thermal balance tests of spacecraft and components where solar simulation has been determined to be the applicable method. Careful adherence to this practice should ensure the adequate simulation of the radiation environment of space for thermal tests of space vehicles. 1.1.2 A corollary purpose is to provide the proper test environment for systems-integration tests of space vehicles. An accurate space-simulation test for thermal balance generally will provide a good environment for operating all electrical and mechanical systems in their various mission modes to determine interferences within the complete system. Although adherence to this practice will provide the correct thermal environment for this type of test, there is no discussion of the extensive electronic equipment and procedures required to support systems-integration testing. 1.2 Nonapplicability—This practice does not apply to or provide inco...

  13. HELIOSEISMIC HOLOGRAPHY OF SIMULATED SUNSPOTS: MAGNETIC AND THERMAL CONTRIBUTIONS TO TRAVEL TIMES

    Energy Technology Data Exchange (ETDEWEB)

    Felipe, T. [Departamento de Astrofísica, Universidad de La Laguna, E-38205 La Laguna, Tenerife (Spain); Braun, D. C.; Crouch, A. D. [NorthWest Research Associates, Colorado Research Associates, Boulder, CO 80301 (United States); Birch, A. C., E-mail: tobias@iac.es [Max-Planck-Institut für Sonnensystemforschung, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany)

    2016-10-01

    Wave propagation through sunspots involves conversion between waves of acoustic and magnetic character. In addition, the thermal structure of sunspots is very different than that of the quiet Sun. As a consequence, the interpretation of local helioseismic measurements of sunspots has long been a challenge. With the aim of understanding these measurements, we carry out numerical simulations of wave propagation through sunspots. Helioseismic holography measurements made from the resulting simulated wavefields show qualitative agreement with observations of real sunspots. We use additional numerical experiments to determine, separately, the influence of the thermal structure of the sunspot and the direct effect of the sunspot magnetic field. We use the ray approximation to show that the travel-time shifts in the thermal (non-magnetic) sunspot model are primarily produced by changes in the wave path due to the Wilson depression rather than variations in the wave speed. This shows that inversions for the subsurface structure of sunspots must account for local changes in the density. In some ranges of horizontal phase speed and frequency there is agreement (within the noise level in the simulations) between the travel times measured in the full magnetic sunspot model and the thermal model. If this conclusion proves to be robust for a wide range of models, it would suggest a path toward inversions for sunspot structure.

  14. HELIOSEISMIC HOLOGRAPHY OF SIMULATED SUNSPOTS: MAGNETIC AND THERMAL CONTRIBUTIONS TO TRAVEL TIMES

    International Nuclear Information System (INIS)

    Felipe, T.; Braun, D. C.; Crouch, A. D.; Birch, A. C.

    2016-01-01

    Wave propagation through sunspots involves conversion between waves of acoustic and magnetic character. In addition, the thermal structure of sunspots is very different than that of the quiet Sun. As a consequence, the interpretation of local helioseismic measurements of sunspots has long been a challenge. With the aim of understanding these measurements, we carry out numerical simulations of wave propagation through sunspots. Helioseismic holography measurements made from the resulting simulated wavefields show qualitative agreement with observations of real sunspots. We use additional numerical experiments to determine, separately, the influence of the thermal structure of the sunspot and the direct effect of the sunspot magnetic field. We use the ray approximation to show that the travel-time shifts in the thermal (non-magnetic) sunspot model are primarily produced by changes in the wave path due to the Wilson depression rather than variations in the wave speed. This shows that inversions for the subsurface structure of sunspots must account for local changes in the density. In some ranges of horizontal phase speed and frequency there is agreement (within the noise level in the simulations) between the travel times measured in the full magnetic sunspot model and the thermal model. If this conclusion proves to be robust for a wide range of models, it would suggest a path toward inversions for sunspot structure.

  15. Direct numerical simulation of thermally-stratified turbulent boundary layer subjected to adverse pressure gradient

    International Nuclear Information System (INIS)

    Hattori, Hirofumi; Kono, Amane; Houra, Tomoya

    2016-01-01

    Highlights: • We study various thermally-stratified turbulent boundary layers having adverse pressure gradient (APG) by means of DNS. • The detailed turbulent statistics and structures in various thermally-stratified turbulent boundary layers having APG are discussed. • It is found that the friction coefficient and Stanton number decrease along the streamwise direction due to the effects of stable thermal stratification and APG, but those again increase due to the APG effect in the case of weak stable thermal stratification. • In the case of strong stable stratification with or without APG, the flow separation is observed in the downstream region. - Abstract: The objective of this study is to investigate and observe turbulent heat transfer structures and statistics in thermally-stratified turbulent boundary layers subjected to a non-equilibrium adverse pressure gradient (APG) by means of direct numerical simulation (DNS). DNSs are carried out under conditions of neutral, stable and unstable thermal stratifications with a non-equilibrium APG, in which DNS results reveal heat transfer characteristics of thermally-stratified non-equilibrium APG turbulent boundary layers. In cases of thermally-stratified turbulent boundary layers affected by APG, heat transfer performances increase in comparison with a turbulent boundary layer with neutral thermal stratification and zero pressure gradient (ZPG). Especially, it is found that the friction coefficient and Stanton number decrease along the streamwise direction due to the effects of stable thermal stratification and APG, but those again increase due to the APG effect in the case of weak stable thermal stratification (WSBL). Thus, the analysis for both the friction coefficient and Stanton number in the case of WSBL with/without APG is conducted using the FIK identity in order to investigate contributions from the transport equations, in which it is found that both Reynolds-shear-stress and the mean convection terms

  16. Monte Carlo simulation of a coded-aperture thermal neutron camera

    International Nuclear Information System (INIS)

    Dioszegi, I.; Salwen, C.; Forman, L.

    2011-01-01

    We employed the MCNPX Monte Carlo code to simulate image formation in a coded-aperture thermal-neutron camera. The camera, developed at Brookhaven National Laboratory (BNL), consists of a 20 x 17 cm"2 active area "3He-filled position-sensitive wire chamber in a cadmium enclosure box. The front of the box is a coded-aperture cadmium mask (at present with three different resolutions). We tested the detector experimentally with various arrangements of moderated point-neutron sources. The purpose of using the Monte Carlo modeling was to develop an easily modifiable model of the device to predict the detector's behavior using different mask patterns, and also to generate images of extended-area sources or large numbers (up to ten) of them, that is important for nonproliferation and arms-control verification, but difficult to achieve experimentally. In the model, we utilized the advanced geometry capabilities of the MCNPX code to simulate the coded aperture mask. Furthermore, the code simulated the production of thermal neutrons from fission sources surrounded by a thermalizer. With this code we also determined the thermal-neutron shadow cast by the cadmium mask; the calculations encompassed fast- and epithermal-neutrons penetrating into the detector through the mask. Since the process of signal production in "3He-filled position-sensitive wire chambers is well known, we omitted this part from our modeling. Simplified efficiency values were used for the three (thermal, epithermal, and fast) neutron-energy regions. Electronic noise and the room's background were included as a uniform irradiation component. We processed the experimental- and simulated-images using identical LabVIEW virtual instruments. (author)

  17. Thermal-hydraulic simulation and analysis of Research Reactor Cooling Systems

    International Nuclear Information System (INIS)

    EL Khatib, H.H.A.

    2013-01-01

    The objective of the present study is to formulate a model to simulate the thermal hydraulic behavior of integrated cooling system in a typical material testing reactor (MTR) under loss of ultimate heat sink, the model involves three interactively coupled sub-models for reactor core, heat exchanger and cooling tower. The developed model predicts the temperature profiles in addition it predicts inlet and outlet temperatures of the hot and cold stream as well as the heat exchangers and cooling tower. The model is validated against PARET code for steady-state operation and also verified by the reactor operational records, and then the model is used to simulate the thermal-hydraulic behavior of the reactor under a loss of ultimate heat sink. The simulation is performed for two operational regimes named regime I of (11 MW) thermal power and three operated cooling tower cells and regime II of (22 MW) thermal power and six operated cooling tower cells. In regime I, the simulation is performed for 1, 2 and 3 cooling tower failed cells while in regime II, it is performed for 1, 2, 3, 4, 5 and 6 cooling tower failed cells. The safety action is conducted by the reactor protection system (RPS) named power reduction safety action, it is triggered to decrease the reactor power by amount of 20% of the present power when the water inlet temperature to the core reaches 43 degree C and a scram (emergency shutdown) is triggered in case of the inlet temperature reaches 44 degree C. The model results are analyzed and discussed. The temperature profiles of fuel, clad and coolant are predicted during transient where its maximum values are far from thermal hydraulic limits.

  18. Comparison of neutron spectrum unfolding codes

    International Nuclear Information System (INIS)

    Zijp, W.

    1979-02-01

    This final report contains a set of four ECN-reports. The first is dealing with the comparison of the neutron spectrum unfolding codes CRYSTAL BALL, RFSP-JUL, SAND II and STAY'SL. The other three present the results of calculations about the influence of statistical weights in CRYSTAL BALL, SAND II and RFSP-JUL

  19. FERD and FERDOR type unfolding codes

    International Nuclear Information System (INIS)

    Burrus, W.R.

    1976-01-01

    FERD and FERDO are unfolding codes which were developed at the Neutron Physics Division of Oak Ridge National Laboratory in 1965 and 1966. FERDO variants such as FERDOR and FORIST have been widely used, and many useful supplementary procedures have been developed for neutron and gamma-ray spectroscopy and other diverse applications. Algorithms for the codes are discussed

  20. Peripheral Protein Unfolding Drives Membrane Bending.

    Science.gov (United States)

    Siaw, Hew Ming Helen; Raghunath, Gokul; Dyer, R Brian

    2018-06-20

    Dynamic modulation of lipid membrane curvature can be achieved by a number of peripheral protein binding mechanisms such as hy-drophobic insertion of amphipathic helices and membrane scaffolding. Recently, an alternative mechanism was proposed in which crowding of peripherally bound proteins induces membrane curvature through steric pressure generated by lateral collisions. This effect was enhanced using intrinsically disordered proteins that possess high hydrodynamic radii, prompting us to explore whether membrane bending can be triggered by the folding-unfolding transition of surface-bound proteins. We utilized histidine-tagged human serum albumin bound to Ni-NTA-DGS containing liposomes as our model system to test this hypothesis. We found that reduction of the disulfide bonds in the protein resulted in unfolding of HSA, which subsequently led to membrane tubule formation. The frequency of tubule formation was found to be significantly higher when the proteins were unfolded while being localized to a phase-separated domain as opposed to randomly distributed in fluid phase liposomes, indicating that the steric pressure generated from protein unfolding is directly responsible for membrane deformation. Our results are critical for the design of peripheral membrane protein-immobilization strategies and open new avenues for exploring mechanisms of membrane bending driven by conformational changes of peripheral membrane proteins.

  1. Understanding how biodiversity unfolds through time under neutral theory.

    Science.gov (United States)

    Missa, Olivier; Dytham, Calvin; Morlon, Hélène

    2016-04-05

    Theoretical predictions for biodiversity patterns are typically derived under the assumption that ecological systems have reached a dynamic equilibrium. Yet, there is increasing evidence that various aspects of ecological systems, including (but not limited to) species richness, are not at equilibrium. Here, we use simulations to analyse how biodiversity patterns unfold through time. In particular, we focus on the relative time required for various biodiversity patterns (macroecological or phylogenetic) to reach equilibrium. We simulate spatially explicit metacommunities according to the Neutral Theory of Biodiversity (NTB) under three modes of speciation, which differ in how evenly a parent species is split between its two daughter species. We find that species richness stabilizes first, followed by species area relationships (SAR) and finally species abundance distributions (SAD). The difference in timing of equilibrium between these different macroecological patterns is the largest when the split of individuals between sibling species at speciation is the most uneven. Phylogenetic patterns of biodiversity take even longer to stabilize (tens to hundreds of times longer than species richness) so that equilibrium predictions from neutral theory for these patterns are unlikely to be relevant. Our results suggest that it may be unwise to assume that biodiversity patterns are at equilibrium and provide a first step in studying how these patterns unfold through time. © 2016 The Author(s).

  2. Thermal hydraulic-Mechanic Integrated Simulation for Advanced Cladding Thermal Shock Fracture Analysis during Reflood Phase in LBLOCA

    Energy Technology Data Exchange (ETDEWEB)

    Son, Seong Min; Lee, You Ho; Cho, Jae Wan; Lee, Jeong Ik [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    This study suggested thermal hydraulic-mechanical integrated stress based methodology for analyzing the behavior of ATF type claddings by SiC-Duplex cladding LBLOCA simulation. Also, this paper showed that this methodology could predict real experimental result well. That concept for enhanced safety of LWR called Advanced Accident-Tolerance Fuel Cladding (ATF cladding, ATF) is researched actively. However, current nuclear fuel cladding design criteria for zircaloy cannot be apply to ATF directly because those criteria are mainly based on limiting their oxidation. So, the new methodology for ATF design criteria is necessary. In this study, stress based analysis methodology for ATF cladding design criteria is suggested. By simulating LBLOCA scenario of SiC cladding which is the one of the most promising candidate of ATF. Also we'll confirm our result briefly through comparing some facts from other experiments. This result is validating now. Some of results show good performance with 1-D failure analysis code for SiC fuel cladding that already developed and validated by Lee et al,. It will present in meeting. Furthermore, this simulation presented the possibility of understanding the behavior of cladding deeper. If designer can predict the dangerous region and the time precisely, it may be helpful for designing nuclear fuel cladding geometry and set safety criteria.

  3. Power cables thermal protection by interval simulation of imprecise dynamical systems

    Energy Technology Data Exchange (ETDEWEB)

    Bontempi, G. [Universite Libre de Brussels (Belgium). Dept. d' Informatique; Vaccaro, A.; Villacci, D. [Universita del Sannio Benevento (Italy). Dept. of Engineering

    2004-11-01

    The embedding of advanced simulation techniques in power cables enables improved thermal protection because of higher accuracy, adaptiveness and. flexibility. In particular, they make possible (i) the accurate solution of differential equations describing the cables thermal dynamics and (ii) the adoption of the resulting solution in the accomplishment of dedicated protective functions. However, the use of model-based protective systems is exposed to the uncertainty affecting some model components (e.g. weather along the line route, thermophysical properties of the soil, cable parameters). When uncertainty can be described in terms of probability distribution, well-known techniques, such as Monte Carlo, are used to simulate the system behaviour. On the other hand, when the description of uncertainty in probabilistic terms is unfeasible or problematic, nonprobabilistic alternatives should be taken into consideration. This paper will discuss and compare three interval-based techniques as alternatives to probabilistic methods in the simulation of power cable dynamics. The experimental session will assess the interval-based approaches by simulating the thermal behaviour of medium voltage power cables.(author)

  4. Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

    International Nuclear Information System (INIS)

    Sun, Sheng; Yin, Guangyao; Lee, Yi-Kuen; Wong, Joseph T.Y.; Zhang, Tong-Yi

    2011-01-01

    Research highlights: → MD simulations show that deformability and thermal motion of membrane affect electroporation. → Stiffer membrane inhibits electroporation and makes water penetrate from both sides. → Higher temperature accelerates electroporation. -- Abstract: Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium positions using a spring with force constant of 2.0 kcal/(mol A 2 ) in the external electric field of 1.4 kcal/(mol A e), only constraint on lateral motions of lipid tails prohibited electroporation while non-tail parts had little effects. When force constant decreased to 0.2 kcal/(mol A 2 ) in the position constraints on lipid tails in the external electric field of 2.0 kcal/(mol A e), water molecules began to enter the membrane. Position constraints of lipid tails allow water to penetrate from both sides of membrane. Thermal motion of lipids can induce initial defects in the hydrophobic core of membrane, which are favorable nucleation sites for electroporation. Simulations at different temperatures revealed that as the temperature increases, the time taken to the initial pore formation will decrease.

  5. Peculiar features of modeling of thermal processes of the cutting area in the SOLIDWORKS SIMULATION system

    Directory of Open Access Journals (Sweden)

    Stepchin Ya.A.

    2017-04-01

    Full Text Available Management of thermo-physical process of cutting zone by changing certain parameters of the cutting regime, tool geometry or coolant using allows to achieve a higher level of handling performance. The forecasting of thermal processes during metal cutting is characterized by the multifactor of the model and the nonlinearity of the connection between the temperature field of the cutting zone and the processing parameters. Therefore realistic modeling of these processes with regard to the maximum number of influencing factors which will minimize the time and cost of experimental studies is very important. The research investigates the use of computer-aided design SolidWorks Simulation system to analyze the thermal processes occurring in the cutting zone during finishing turning of hardened circular steel cutting blade of superhard material. While modeling, the distribution of heat generated in cut (in the zone of plastic deformation of the workpiece and on the surfaces of friction of the cutting blade with chips and the treated surface is observed by four flows: to the tool, chips, workpiece and the environment. The limiting conditions for the existence of the developed model-geometric, physical and temporal limits are defined. Simulation is performed in steady and transient modes. Control of adequacy of simulation results is made. The conclusions of the analysis of opportunities of CAD SolidWorks Simulation System for research of thermal processes the cutting zone are drawn.

  6. Nuclear Thermal Rocket Element Environmental Simulator (NTREES) Phase II Upgrade Activities

    Science.gov (United States)

    Emrich, William J.; Moran, Robert P.; Pearson, J. Bose

    2013-01-01

    To support the on-going nuclear thermal propulsion effort, a state-of-the-art non nuclear experimental test setup has been constructed to evaluate the performance characteristics of candidate fuel element materials and geometries in representative environments. The facility to perform this testing is referred to as the Nuclear Thermal Rocket Element Environment Simulator (NTREES). This device can simulate the environmental conditions (minus the radiation) to which nuclear rocket fuel components will be subjected during reactor operation. Test articles mounted in the simulator are inductively heated in such a manner so as to accurately reproduce the temperatures and heat fluxes which would normally occur as a result of nuclear fission and would be exposed to flowing hydrogen. Initial testing of a somewhat prototypical fuel element has been successfully performed in NTREES and the facility has now been shutdown to allow for an extensive reconfiguration of the facility which will result in a significant upgrade in its capabilities. Keywords: Nuclear Thermal Propulsion, Simulator

  7. Evaluation of the litcit software for thermal simulation of superficial lasers such as hair removal lasers

    Directory of Open Access Journals (Sweden)

    Shirkavand A

    2007-01-01

    Full Text Available Background and Objectives : In this study, we evaluate LITCIT software for its application as a thermal simulation software for superficial hair removal laser systems. Materials and Methods: Two articles were used as our references. Complete information regarding the tissues, such as optical/thermal properties and geometrical modeling and also the laser systems such as wavelength, spot size, pulse duration and fluence were extracted from these texts. Then, this information regarding the tissues and systems was entered into the LITCIT simulation software. Further, we ran the program and saved the results. Finally, we compared our results with the results in references and evaluated the. Results : Output results of the LITCIT show that they are consistent with the results of references that were calculated with a different thermal modeling. Such a small average error shows the accuracy of the software for simulation and calculating the temperature. Conclusions : This simulating software has a good ability to be used as a treatment planning software for superficial lasers. Thus, it can be used for the optimization of treatment parameters and protocols.

  8. Using Coupled Mesoscale Experiments and Simulations to Investigate High Burn-Up Oxide Fuel Thermal Conductivity

    Science.gov (United States)

    Teague, Melissa C.; Fromm, Bradley S.; Tonks, Michael R.; Field, David P.

    2014-12-01

    Nuclear energy is a mature technology with a small carbon footprint. However, work is needed to make current reactor technology more accident tolerant and to allow reactor fuel to be burned in a reactor for longer periods of time. Optimizing the reactor fuel performance is essentially a materials science problem. The current understanding of fuel microstructure have been limited by the difficulty in studying the structure and chemistry of irradiated fuel samples at the mesoscale. Here, we take advantage of recent advances in experimental capabilities to characterize the microstructure in 3D of irradiated mixed oxide (MOX) fuel taken from two radial positions in the fuel pellet. We also reconstruct these microstructures using Idaho National Laboratory's MARMOT code and calculate the impact of microstructure heterogeneities on the effective thermal conductivity using mesoscale heat conduction simulations. The thermal conductivities of both samples are higher than the bulk MOX thermal conductivity because of the formation of metallic precipitates and because we do not currently consider phonon scattering due to defects smaller than the experimental resolution. We also used the results to investigate the accuracy of simple thermal conductivity approximations and equations to convert 2D thermal conductivities to 3D. It was found that these approximations struggle to predict the complex thermal transport interactions between metal precipitates and voids.

  9. Microscopic dynamics of water around unfolded structures of barstar at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Somedatta; Chakraborty, Kaushik; Khatua, Prabir; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302 (India)

    2015-02-07

    The breaking of the native structure of a protein and its influences on the dynamic response of the surrounding solvent is an important issue in protein folding. In this work, we have carried out atomistic molecular dynamics simulations to unfold the protein barstar at two different temperatures (400 K and 450 K). The two unfolded forms obtained at such high temperatures are further studied at room temperature to explore the effects of nonuniform unfolding of the protein secondary structures along two different pathways on the microscopic dynamical properties of the surface water molecules. It is demonstrated that though the structural transition of the protein in general results in less restricted water motions around its segments, but there are evidences of formation of new conformational motifs upon unfolding with increasingly confined environment around them, thereby resulting in further restricted water mobility in their hydration layers. Moreover, it is noticed that the effects of nonuniform unfolding of the protein segments on the relaxation times of the protein–water (PW) and the water–water (WW) hydrogen bonds are correlated with hindered hydration water motions. However, the kinetics of breaking and reformation of such hydrogen bonds are found to be influenced differently at the interface. It is observed that while the effects of unfolding on the PW hydrogen bond kinetics seem to be minimum, but the kinetics involving the WW hydrogen bonds around the protein segments exhibit noticeably heterogeneous characteristics. We believe that this is an important observation, which can provide valuable insights on the origin of heterogeneous influence of unfolding of a protein on the microscopic properties of its hydration water.

  10. Simulating Physiological Response with a Passive Sensor Manikin and an Adaptive Thermal Manikin to Predict Thermal Sensation and Comfort

    Energy Technology Data Exchange (ETDEWEB)

    Rugh, John P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Chaney, Larry [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Hepokoski, Mark [ThermoAnalytics Inc.; Curran, Allen [ThermoAnalytics Inc.; Burke, Richard [Measurement Technology NW; Maranville, Clay [Ford Motor Company

    2015-04-14

    Reliable assessment of occupant thermal comfort can be difficult to obtain within automotive environments, especially under transient and asymmetric heating and cooling scenarios. Evaluation of HVAC system performance in terms of comfort commonly requires human subject testing, which may involve multiple repetitions, as well as multiple test subjects. Instrumentation (typically comprised of an array of temperature sensors) is usually only sparsely applied across the human body, significantly reducing the spatial resolution of available test data. Further, since comfort is highly subjective in nature, a single test protocol can yield a wide variation in results which can only be overcome by increasing the number of test replications and subjects. In light of these difficulties, various types of manikins are finding use in automotive testing scenarios. These manikins can act as human surrogates from which local skin and core temperatures can be obtained, which are necessary for accurately predicting local and whole body thermal sensation and comfort using a physiology-based comfort model (e.g., the Berkeley Comfort Model). This paper evaluates two different types of manikins, i) an adaptive sweating thermal manikin, which is coupled with a human thermoregulation model, running in real-time, to obtain realistic skin temperatures; and, ii) a passive sensor manikin, which is used to measure boundary conditions as they would act on a human, from which skin and core temperatures can be predicted using a thermophysiological model. The simulated physiological responses and comfort obtained from both of these manikin-model coupling schemes are compared to those of a human subject within a vehicle cabin compartment transient heat-up scenario.

  11. Survival of juvenile fishes receiving thermal and mechanical stresses in a simulated power plant condenser

    International Nuclear Information System (INIS)

    Kedl, R.J.; Coutant, C.C.

    Experiments were conducted in a water-recirculating loop to determine the effects of fluid-induced stresses (e.g., turbulence, pressure, and vacuum) on six species of larval fish and one species each of frog tadpoles and zooplankton. These stresses simulate the insults developed in the condenser portion, but not including the pump, of a steam power plant. Some experiments were conducted with thermal stresses superimposed on fluid-induced stresses. Fluid-induced stresses of the magnitude developed in these experiments were generally not fatal to the larval fish within the precision of the experiments, although some sublethal effects were noted. When thermal stress was superimposed on the fluid-induced stresses, the mortalities were equivalent to those resulting from thermal stress alone. Fluid-induced stresses of low magnitude were not fatal to Daphnia magna, but fluid-induced stresses of higher magnitude were responsible for significant mortalities. (U.S.)

  12. Thermal comfort in residential buildings: Comfort values and scales for building energy simulation

    Energy Technology Data Exchange (ETDEWEB)

    Peeters, Leen; D' haeseleer, William [Division of Applied Mechanics and Energy Conversion, University of Leuven (K.U.Leuven), Celestijnenlaan 300 A, B-3001 Leuven (Belgium); Dear, Richard de [Division of Environmental and Life Sciences, Macquarie University, Sydney (Australia); Hensen, Jan [Faculty of Architecture, Building and Planning, Technische Universiteit Eindhoven, Vertigo 6.18, P.O. Box 513, 5600 MB Eindhoven (Netherlands)

    2009-05-15

    Building Energy Simulation (BES) programmes often use conventional thermal comfort theories to make decisions, whilst recent research in the field of thermal comfort clearly shows that important effects are not incorporated. The conventional theories of thermal comfort were set up based on steady state laboratory experiments. This, however, is not representing the real situation in buildings, especially not when focusing on residential buildings. Therefore, in present analysis, recent reviews and adaptations are considered to extract acceptable temperature ranges and comfort scales. They will be defined in an algorithm, easily implementable in any BES code. The focus is on comfortable temperature levels in the room, more than on the detailed temperature distribution within that room. (author)

  13. The CFD Simulation on Thermal Comfort in a library Building in the Tropics

    International Nuclear Information System (INIS)

    Yau, Y. H.; Ghazali, N. N. N.; Badarudin, A.; Goh, F. C.

    2010-01-01

    This paper presents a three-dimensional analysis for thermal comfort in a library. The room model includes library layout, equipment and peripheral positions as well as the positions of inlet and outlet air for IAQ controls. Cold clean air is supplied to the room through ceiling-mounted air grilles and exhausted through air grilles situated on the same ceiling. A commercial CFD package was used in this study to achieve solutions of the distribution of airflow velocity and temperature. Using high quality meshes is vital to the overall accuracy of the results. Simulation results show a good agreement with experimental data from the literature. This study has thoroughly analysed the indoor thermal conditions and airflow characteristics of the building. In addition, verification of the CFD program with experimental data showed that the program can provide reasonable and reliable predictions on thermal comfort performance with the help of precise boundary conditions.

  14. Large eddy simulation on thermal fluid mixing in a T-junction piping system

    Energy Technology Data Exchange (ETDEWEB)

    Selvam, P. Karthick; Kulenovic, R.; Laurien, E. [Stuttgart Univ. (Germany). Inst fuer Kernenergie und Energiesysteme (IKE)

    2014-11-15

    High cycle thermal fatigue damage caused in piping systems is an important problem encountered in the context of nuclear safety and lifetime management of a Nuclear Power Plant (NPP). The T-junction piping system present in the Residual Heat Removal System (RHRS) is more vulnerable to thermal fatigue cracking. In this numerical study, thermal mixing of fluids at temperature difference (?T) of 117 K between the mixing fluids is analyzed. Large Eddy Simulation (LES) is performed with conjugate heat transfer between the fluid and structure. LES is performed based on the Fluid-Structure Interaction (FSI) test facility at University of Stuttgart. The results show an intense turbulent mixing of fluids downstream of T-junction. Amplitude of temperature fluctuations near the wall region and its corresponding frequency distribution is analyzed. LES is performed using commercial CFD software ANSYS CFX 14.0.

  15. Numerical Simulation of the Thermal Performance of a Dry Storage Cask for Spent Nuclear Fuel

    Directory of Open Access Journals (Sweden)

    Heui-Yung Chang

    2018-01-01

    Full Text Available In this study, the heat flow characteristics and thermal performance of a dry storage cask were investigated via thermal flow experiments and a computational fluid dynamics (CFD simulation. The results indicate that there are many inner circulations in the flow channel of the cask (the channel width is 10 cm. These circulations affect the channel airflow efficiency, which in turn affects the heat dissipation of the dry storage cask. The daily operating temperatures at the top concrete lid and the upper locations of the concrete cask are higher than those permitted by the design specification. The installation of the salt particle collection device has a limited negative effect on the thermal dissipation performance of the dry storage cask.

  16. Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators.

    Science.gov (United States)

    Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H-S; Ahn, Jaewook

    2018-05-04

    Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

  17. Comparative thermal cyclic test of different beryllium grades previously subjected to simulated disruption loads

    International Nuclear Information System (INIS)

    Gervash, A.; Giniyatulin, R.; Mazul, I.

    1999-01-01

    Considering beryllium as plasma facing armour this paper presents recent results obtained in Russia. A special process of joining beryllium to a Cu-alloy material structure is described and recent results of thermal cycling tests of such joints are presented. Summarizing the results, the authors show that a Cu-alloy heat sink structure armoured with beryllium can survive high heat fluxes (≥10 MW/m 2 ) during 1000 heating/cooling cycles without serious damage to the armour material and its joint. The principal feasibility of thermal cycling of beryllium grades and their joints directly in the core of a nuclear reactor is demonstrated and the main results of this test are presented. The paper also describes the thermal cycling of different beryllium grades having cracks initiated by previously applied high heat loads simulating plasma disruptions. (orig.)

  18. Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators

    Science.gov (United States)

    Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H.-S.; Ahn, Jaewook

    2018-05-01

    Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

  19. Molecular dynamics simulations for the motion of evaporative droplets driven by thermal gradients along nanochannels

    KAUST Repository

    Wu, Congmin

    2013-04-04

    For a one-component fluid on a solid substrate, a thermal singularity may occur at the contact line where the liquid-vapor interface intersects the solid surface. Physically, the liquid-vapor interface is almost isothermal at the liquid-vapor coexistence temperature in one-component fluids while the solid surface is almost isothermal for solids of high thermal conductivity. Therefore, a temperature discontinuity is formed if the two isothermal interfaces are of different temperatures and intersect at the contact line. This leads to the so-called thermal singularity. The localized hydrodynamics involving evaporation/condensation near the contact line leads to a contact angle depending on the underlying substrate temperature. This dependence has been shown to lead to the motion of liquid droplets on solid substrates with thermal gradients (Xu and Qian 2012 Phys. Rev. E 85 061603). In the present work, we carry out molecular dynamics (MD) simulations as numerical experiments to further confirm the predictions made from our previous continuum hydrodynamic modeling and simulations, which are actually semi-quantitatively accurate down to the small length scales in the problem. Using MD simulations, we investigate the motion of evaporative droplets in one-component Lennard-Jones fluids confined in nanochannels with thermal gradients. The droplet is found to migrate in the direction of decreasing temperature of solid walls, with a migration velocity linearly proportional to the temperature gradient. This agrees with the prediction of our continuum model. We then measure the effect of droplet size on the droplet motion. It is found that the droplet mobility is inversely proportional to a dimensionless coefficient associated with the total rate of dissipation due to droplet movement. Our results show that this coefficient is of order unity and increases with the droplet size for the small droplets (∼10 nm) simulated in the present work. These findings are in semi

  20. A fully coupled finite element framework for thermal fracturing simulation in subsurface cold CO2 injection

    Directory of Open Access Journals (Sweden)

    Shunde Yin

    2018-03-01

    Simulation of thermal fracturing during cold CO2 injection involves the coupled processes of heat transfer, mass transport, rock deforming as well as fracture propagation. To model such a complex coupled system, a fully coupled finite element framework for thermal fracturing simulation is presented. This framework is based on the theory of non-isothermal multiphase flow in fracturing porous media. It takes advantage of recent advances in stabilized finite element and extended finite element methods. The stabilized finite element method overcomes the numerical instability encountered when the traditional finite element method is used to solve the convection dominated heat transfer equation, while the extended finite element method overcomes the limitation with traditional finite element method that a model has to be remeshed when a fracture is initiated or propagating and fracturing paths have to be aligned with element boundaries.

  1. Simulating the Thermal History of the Unsaturated Zone at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    B.D. Marshal; J.F. Whelan

    2001-01-01

    Heat transfer within Earth's upper crust is primarily by conduction, and conductive thermal models adequately explain the cooling history of deep, batholith-scale intrusions and surrounding wall rocks, as confirmed by numerous thermochronometric studies. However, caldera magmatic systems require consideration of the small and localized component of hydrothermal convection and numerical models to simulate additional boundary conditions, irregular magma chamber shapes, and complex intrusive histories. At Yucca Mountain, Nevada, the site of a potential high-level nuclear waste repository, simulating the detailed thermal history at any location in the unsaturated zone requires knowledge of the shape of the magma chamber and its proximity to Yucca Mountain (the southern margin of the Timber Mountain caldera complex is approximately 8 km north of the potential repository site), the temporal and spatial extent of hydrothermal convection, the erosional history of the area, and past levels of the water table

  2. Simulation studies on structural and thermal properties of alkane thiol capped gold nanoparticles.

    Science.gov (United States)

    Devi, J Meena

    2017-06-01

    The structural and thermal properties of the passivated gold nanoparticles were explored employing molecular dynamics simulation for the different surface coverage densities of the self-assembled monolayer (SAM) of alkane thiol. The structural properties of the monolayer protected gold nanoparticles such us overall shape, organization and conformation of the capping alkane thiol chains were found to be influenced by the capping density. The structural order of the thiol capped gold nanoparticles enhances with the increase in the surface coverage density. The specific heat capacity of the alkane thiol capped gold nanoparticles was found to increase linearly with the thiol coverage density. This may be attributed to the enhancement in the lattice vibrational energy. The present simulation results suggest, that the structural and thermal properties of the alkane thiol capped gold nanoparticles may be modified by the suitable selection of the SAM coverage density. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Research on simulation of supercritical steam turbine system in large thermal power station

    Science.gov (United States)

    Zhou, Qiongyang

    2018-04-01

    In order to improve the stability and safety of supercritical steam turbine system operation in large thermal power station, the body of the steam turbine is modeled in this paper. And in accordance with the hierarchical modeling idea, the steam turbine body model, condensing system model, deaeration system model and regenerative system model are combined to build a simulation model of steam turbine system according to the connection relationship of each subsystem of steam turbine. Finally, the correctness of the model is verified by design and operation data of the 600MW supercritical unit. The results show that the maximum simulation error of the model is 2.15%, which meets the requirements of the engineering. This research provides a platform for the research on the variable operating conditions of the turbine system, and lays a foundation for the construction of the whole plant model of the thermal power plant.

  4. ATWS thermal-hydraulic analysis for Krsko Full Scope Simulator validation

    International Nuclear Information System (INIS)

    Parzer, I.; Kljenak, I.

    2005-01-01

    The purpose of this analysis was to simulate Anticipated Transient without Scram transient for Krsko NPP. The results of these calculations were used for annual ANSI/ANS validation of reactor coolant system thermal-hydraulic response predicted by Krsko Full Scope Simulator. For the thermal-hydraulic analyses the RELAP5/MOD3.3 code and the input model for NPP Krsko, delivered by NPP Krsko, was used. In the presented paper the most severe ATWS scenario has been analyzed, starting with the loss of Main Feedwater at both steam generators. Thus, gradual loss of secondary heat sink occurred. On top of that, control rods were not supposed to scram, leaving the chain reaction to be controlled only by inherent physical properties of the fuel and moderator and eventual actions of the BOP system. The primary system response has been studied assuming AMSAC availability. (author)

  5. Stochastic simulation of PWR vessel integrity for pressurized thermal shock conditions

    International Nuclear Information System (INIS)

    Jackson, P.S.; Moelling, D.S.

    1984-01-01

    A stochastic simulation methodology is presented for performing probabilistic analyses of Pressurized Water Reactor vessel integrity. Application of the methodology to vessel-specific integrity analyses is described in the context of Pressurized Thermal Shock (PTS) conditions. A Bayesian method is described for developing vessel-specific models of the density of undetected volumetric flaws from ultrasonic inservice inspection results. Uncertainty limits on the probabilistic results due to sampling errors are determined from the results of the stochastic simulation. An example is provided to illustrate the methodology

  6. A mathematical model for the simulation of thermal transients in the water loop of IPEN

    International Nuclear Information System (INIS)

    Pontedeiro, A.C.

    1980-01-01

    A mathematical model for simulation of thermal transients in the water loop at the Instituto de Pesquisas Energeticas e Nucleares, Sao Paulo, Brasil, is developed. The model is based on energy equations applied to the components of the experimental water loop. The non-linear system of first order diferencial equations and of non-linear algebraic equations obtained through the utilization of the IBM 'System/360-Continous System Modeling Program' (CSMP) is resolved. An optimization of the running time of the computer is made and a typical simulation of the water loop is executed. (Author) [pt

  7. Stress induced conditioning and thermal relaxation in the simulation of quasi-static compression experiments

    International Nuclear Information System (INIS)

    Scalerandi, M; Delsanto, P P; Johnson, P A

    2003-01-01

    Local interaction simulation approach simulations of the ultrasonic wave propagation in multi-grained materials have succeeded in reproducing most of the recently observed nonclassical nonlinear effects, such as stress-strain hysteresis and discrete memory in quasi-static experiments and a downwards shift of the resonance frequency and the generation of odd harmonics at specific amplitude rates in dynamics experiments. By including a simple mechanism of thermally activated random transitions, we can predict the occurrence of experimentally observed effects, such as the conditioning and relaxation of the specimen. Experiments are also suggested for a quantitative assessment of the validity of the model

  8. Converter-level FEM simulation for lifetime prediction of an LED driver with improved thermal modelling

    DEFF Research Database (Denmark)

    Niu, H.; Wang, H.; Ye, X.

    2017-01-01

    application. A converter-level finite element simulation (FEM) simulation is carried out to obtain the ambient temperature of electrolytic capacitors and power MOSFETs used in the LED driver, which takes into account the impact of the driver enclosure and the thermal coupling among different components....... Therefore, the proposed method bridges the link between the global ambient temperature profile outside of the enclosure and the local ambient temperature profiles of the components of interest inside the driver. A quantitative comparison of the estimated annual lifetime consumptions of MOSFETs...

  9. Simulated transient thermal infrared emissions of forest canopies during rainfall events

    Science.gov (United States)

    Ballard, Jerrell R.; Hawkins, William R.; Howington, Stacy E.; Kala, Raju V.

    2017-05-01

    We describe the development of a centimeter-scale resolution simulation framework for a theoretical tree canopy that includes rainfall deposition, evaporation, and thermal infrared emittance. Rainfall is simulated as discrete raindrops with specified rate. The individual droplets will either fall through the canopy and intersect the ground; adhere to a leaf; bounce or shatter on impact with a leaf resulting in smaller droplets that are propagated through the canopy. Surface physical temperatures are individually determined by surface water evaporation, spatially varying within canopy wind velocities, solar radiation, and water vapor pressure. Results are validated by theoretical canopy gap and gross rainfall interception models.

  10. Stress induced conditioning and thermal relaxation in the simulation of quasi-static compression experiments

    CERN Document Server

    Scalerandi, M; Johnson, P A

    2003-01-01

    Local interaction simulation approach simulations of the ultrasonic wave propagation in multi-grained materials have succeeded in reproducing most of the recently observed nonclassical nonlinear effects, such as stress-strain hysteresis and discrete memory in quasi-static experiments and a downwards shift of the resonance frequency and the generation of odd harmonics at specific amplitude rates in dynamics experiments. By including a simple mechanism of thermally activated random transitions, we can predict the occurrence of experimentally observed effects, such as the conditioning and relaxation of the specimen. Experiments are also suggested for a quantitative assessment of the validity of the model.

  11. An integrated algorithm for hypersonic fluid-thermal-structural numerical simulation

    Science.gov (United States)

    Li, Jia-Wei; Wang, Jiang-Feng

    2018-05-01

    In this paper, a fluid-structural-thermal integrated method is presented based on finite volume method. A unified integral equations system is developed as the control equations for physical process of aero-heating and structural heat transfer. The whole physical field is discretized by using an up-wind finite volume method. To demonstrate its capability, the numerical simulation of Mach 6.47 flow over stainless steel cylinder shows a good agreement with measured values, and this method dynamically simulates the objective physical processes. Thus, the integrated algorithm proves to be efficient and reliable.

  12. Thermal radiators with embedded pulsating heat pipes: Infra-red thermography and simulations

    International Nuclear Information System (INIS)

    Hemadri, Vadiraj A.; Gupta, Ashish; Khandekar, Sameer

    2011-01-01

    With the aim of exploring potential applications of Pulsating Heat Pipes (PHP), for space/terrestrial sectors, experimental study of embedded PHP thermal radiators, having two different effective Biot numbers respectively, and subjected to conjugate heat transfer conditions on their surface, i.e., natural convection and radiation, has been carried out under different thermo-mechanical boundary conditions. High resolution infrared camera is used to obtain spatial temperature profiles of the radiators. To complement the experimental study, detailed 3D computational heat transfer simulation has also been undertaken. By embedding PHP structures, it was possible to make the net thermal resistance of the mild steel radiator plate equivalent to the aluminum radiator plate, in spite of the large difference in their respective thermal conductivities (k Al ∼ 4k MS ). The study reveals that embedded PHP structures can be beneficial only under certain boundary conditions. The degree of isothermalization achieved in these structures strongly depends on its effective Biot number. The relative advantage of embedded PHP is appreciably higher if the thermal conductivity of the radiator plate material itself is low. The study indicates that the effective thermal conductivity of embedded PHP structure is of the order of 400 W/mK to 2300 W/mK, depending on the operating conditions. - Research highlights: → Study of radiator plates with embedded Pulsating Heat Pipe by infrared thermography. → Radiator is subjected to natural convection and radiation boundary conditions. → Experimental study is supported by 3D simulation. → Effective thermal conductivity of PHPs of the order of 2000 W/mK is obtained. → Efficacy of embedded PHPs depends on the effective Biot number of the system.

  13. Development of CFD software for the simulation of thermal hydraulics in advanced nuclear reactors. Final report

    International Nuclear Information System (INIS)

    Bachar, Abdelaziz; Haslinger, Wolfgang; Scheuerer, Georg; Theodoridis, Georgios

    2015-01-01

    The objectives of the project were: Improvement of the simulation accuracy for nuclear reactor thermo-hydraulics by coupling system codes with three-dimensional CFD software; Extension of CFD software to predict thermo-hydraulics in advanced reactor concepts; Validation of the CFD software by simulation different UPTF TRAM-C test cases and development of best practice guidelines. The CFD module was based on the ANSYS CFD software and the system code ATHLET of GRS. All three objectives were met: The coupled ATHLET-ANSYS CFD software is in use at GRS and TU Muenchen. Besides the test cases described in the report, it has been used for other applications, for instance the TALL-3D experiment of KTH Stockholm. The CFD software was extended with material properties for liquid metals, and validated using existing data. Several new concepts were tested when applying the CFD software to the UPTF test cases: Simulations with Conjugate Heat Transfer (CHT) were performed for the first time. This led to better agreement between predictions and data and reduced uncertainties when applying temperature boundary conditions. The meshes for the CHT simulation were also used for a coupled fluid-structure-thermal analysis which was another novelty. The results of the multi-physics analysis showed plausible results for the mechanical and thermal stresses. The workflow developed as part of the current project can be directly used for industrial nuclear reactor simulations. Finally, simulations for two-phase flows with and without interfacial mass transfer were performed. These showed good agreement with data. However, a persisting problem for the simulation of multi-phase flows are the long simulation times which make use for industrial applications difficult.

  14. A neutron spectrum unfolding computer code based on artificial neural networks

    International Nuclear Information System (INIS)

    Ortiz-Rodríguez, J.M.; Reyes Alfaro, A.; Reyes Haro, A.; Cervantes Viramontes, J.M.; Vega-Carrillo, H.R.

    2014-01-01

    The Bonner Spheres Spectrometer consists of a thermal neutron sensor placed at the center of a number of moderating polyethylene spheres of different diameters. From the measured readings, information can be derived about the spectrum of the neutron field where measurements were made. Disadvantages of the Bonner system are the weight associated with each sphere and the need to sequentially irradiate the spheres, requiring long exposure periods. Provided a well-established response matrix and adequate irradiation conditions, the most delicate part of neutron spectrometry, is the unfolding process. The derivation of the spectral information is not simple because the unknown is not given directly as a result of the measurements. The drawbacks associated with traditional unfolding procedures have motivated the need of complementary approaches. Novel methods based on Artificial Intelligence, mainly Artificial Neural Networks, have been widely investigated. In this work, a neutron spectrum unfolding code based on neural nets technology is presented. This code is called Neutron Spectrometry and Dosimetry with Artificial Neural networks unfolding code that was designed in a graphical interface. The core of the code is an embedded neural network architecture previously optimized using the robust design of artificial neural networks methodology. The main features of the code are: easy to use, friendly and intuitive to the user. This code was designed for a Bonner Sphere System based on a 6 LiI(Eu) neutron detector and a response matrix expressed in 60 energy bins taken from an International Atomic Energy Agency compilation. The main feature of the code is that as entrance data, for unfolding the neutron spectrum, only seven rate counts measured with seven Bonner spheres are required; simultaneously the code calculates 15 dosimetric quantities as well as the total flux for radiation protection purposes. This code generates a full report with all information of the unfolding

  15. Measurement and simulation of thermal neutron flux distribution in the RTP core

    Science.gov (United States)

    Rabir, Mohamad Hairie B.; Jalal Bayar, Abi Muttaqin B.; Hamzah, Na'im Syauqi B.; Mustafa, Muhammad Khairul Ariff B.; Karim, Julia Bt. Abdul; Zin, Muhammad Rawi B. Mohamed; Ismail, Yahya B.; Hussain, Mohd Huzair B.; Mat Husin, Mat Zin B.; Dan, Roslan B. Md; Ismail, Ahmad Razali B.; Husain, Nurfazila Bt.; Jalil Khan, Zareen Khan B. Abdul; Yakin, Shaiful Rizaide B. Mohd; Saad, Mohamad Fauzi B.; Masood, Zarina Bt.

    2018-01-01

    The in-core thermal neutron flux distribution was determined using measurement and simulation methods for the Malaysian’s PUSPATI TRIGA Reactor (RTP). In this work, online thermal neutron flux measurement using Self Powered Neutron Detector (SPND) has been performed to verify and validate the computational methods for neutron flux calculation in RTP calculations. The experimental results were used as a validation to the calculations performed with Monte Carlo code MCNP. The detail in-core neutron flux distributions were estimated using MCNP mesh tally method. The neutron flux mapping obtained revealed the heterogeneous configuration of the core. Based on the measurement and simulation, the thermal flux profile peaked at the centre of the core and gradually decreased towards the outer side of the core. The results show a good agreement (relatively) between calculation and measurement where both show the same radial thermal flux profile inside the core: MCNP model over estimation with maximum discrepancy around 20% higher compared to SPND measurement. As our model also predicts well the neutron flux distribution in the core it can be used for the characterization of the full core, that is neutron flux and spectra calculation, dose rate calculations, reaction rate calculations, etc.

  16. CFD simulation for thermal mixing of a SMART flow mixing header assembly

    International Nuclear Information System (INIS)

    Kim, Young In; Bae, Youngmin; Chung, Young Jong; Kim, Keung Koo

    2015-01-01

    Highlights: • Thermal mixing performance of a FMHA installed in SMART is investigated numerically. • Effects of operating condition and discharge hole configuration are examined. • FMHA performance satisfies the design requirements under various abnormal conditions. - Abstract: A flow mixing header assembly (FMHA) is installed in a system-integrated modular advanced reactor (SMART) to enhance the thermal mixing capability and create a uniform core flow distribution under both normal operation and accident conditions. In this study, the thermal mixing characteristics of the FMHA are investigated for various steam generator conditions using a commercial CFD code. Simulations include investigations for the effects of FMHA discharge flow rate differences, turbulence models, and steam generator conditions. The results of the analysis show that the FMHA works effectively for thermal mixing in various conditions and makes the temperature difference at the core inlet decrease noticeably. We verified that the mixing capability of the FMHA is excellent and satisfies the design requirement in all simulation cases tested here

  17. Occupant evaluation of 7-hour exposures in a simulated aircraft cabin - Part 2: Thermal effects

    DEFF Research Database (Denmark)

    Strøm-Tejsen, Peter; Wyon, David Peter; Zukowska, Daria

    2005-01-01

    Experiments were carried out in a simulated section of an aircraft cabin with 21 seats installed in a climate chamber, to determine the extent to which passengers’ perception of cabin air quality is affected by air temperature. The temperature inside the cabin was set at three differ-ent levels, 20......, and thermal sensation - the lower the temperature, the higher the perceived air quality and freshness....

  18. 2-D CFD time-dependent thermal-hydraulic simulations of CANDU-6 moderator flows

    Energy Technology Data Exchange (ETDEWEB)

    Mehdi Zadeh, Foad [Department of Engineering Physics/Polytechnique Montréal, Montréal, QC (Canada); Étienne, Stéphane [Department of Mechanical Engineering/Polytechnique Montréal, Montréal, QC (Canada); Teyssedou, Alberto, E-mail: alberto.teyssedou@polymtl.ca [Department of Engineering Physics/Polytechnique Montréal, Montréal, QC (Canada)

    2016-12-01

    Highlights: • 2-D time-dependent CFD simulations of CANDU-6 moderator flows are presented. • A thermal-hydraulic code using thermal physical fluid properties is used. • The numerical approach and convergence is validated against available data. • Flow configurations are correlated using Richardson’s number. • Frequency components indicate moderator flow oscillations vs. Richardson numbers. - Abstract: The distribution of the fluid temperature and mass density of the moderator flow in CANDU-6 nuclear power reactors may affect the reactivity coefficient. For this reason, any possible moderator flow configuration and consequently the corresponding temperature distributions must be studied. In particular, the variations of the reactivity may result in major safety issues. For instance, excessive temperature excursions in the vicinity of the calandria tubes nearby local flow stagnation zones, may bring about partial boiling. Moreover, steady-state simulations have shown that for operating condition, intense buoyancy forces may be dominant, which can trigger a thermal stratification. Therefore, the numerical study of the time-dependent flow transition to such a condition, is of fundamental safety concern. Within this framework, this paper presents detailed time-dependent numerical simulations of CANDU-6 moderator flow for a wide range of flow conditions. To get a better insight of the thermal-hydraulic phenomena, the simulations were performed by covering long physical-time periods using an open-source code (Code-Saturne V3) developed by Électricité de France. The results show not only a region where the flow is characterized by coherent structures of flow fluctuations but also the existence of two limit cases where fluid oscillations disappear almost completely.

  19. Comparison of thermal behavior of different PWR fuel rod simulators for LOCA experiments

    International Nuclear Information System (INIS)

    Casal, V.; Malang, S.; Rust, K.

    1982-10-01

    For experimental investigations of a loss-of-coolant accident (LOCA) of a PWR electrical heater rods are applied as thermal fuel rod simulators. To substitute heater rods from the SEMISCALE program by INTERATOM-KfK heater rods in a current experimental program at the Instituut for Energiteknikk-(OECD-Halden), the thermodynamic behavior of different heater rods during a LOCA were compared. The results show, that SEMISCALE-heater rods can be replaced by those fabricated by INTERATOM. (orig.) [de

  20. Numerical simulation of thermal radiation from smoking flames; Numerische Simulation der Waermestrahlung von russenden Flammen

    Energy Technology Data Exchange (ETDEWEB)

    Koch, T. [Duisburg Univ. (Gesamthochschule) (Germany). Lehrstuhl fuer Technische Chemie; Staus, S. [Duisburg Univ. (Gesamthochschule) (Germany). Lehrstuhl fuer Technische Chemie; Schoenbucher, A. [Duisburg Univ. (Gesamthochschule) (Germany). Lehrstuhl fuer Technische Chemie

    1997-08-01

    After presenting the most common semi-empirical simulation model, the authors describe the newly developed field model and its modules with their mathematical and physical fundamentals. First results are presented for the calculation of a diffusion flame. (orig./GL) [Deutsch] In der vorliegenden Arbeit wird, nach einer Darstellung der gebraeuchlichen halbempirischen Simulationsmodelle, das entwickelte Feldmodell beschrieben und seine einzelnen Module mit ihren mathematischen und physikalischen Grundlagen vorgestellt. Im Anschluss werden erste Ergebnisse fuer die Berechnung einer Diffusionsflamme aufgezeigt. (orig./GL)

  1. A highly compliant protein native state with a spontaneous-like mechanical unfolding pathway

    DEFF Research Database (Denmark)

    Heiðarsson, Pétur Orri; Valpapuram, Immanuel; Camilloni, Carlo

    2012-01-01

    The mechanical properties of proteins and their force-induced structural changes play key roles in many biological processes. Previous studies have shown that natively folded proteins are brittle under tension, unfolding after small mechanical deformations, while partially folded intermediate...... states, such as molten globules, are compliant and can deform elastically a great amount before crossing the transition state barrier. Moreover, under tension proteins appear to unfold through a different sequence of events than during spontaneous unfolding. Here, we describe the response to force...... of the four-α-helix acyl-CoA binding protein (ACBP) in the low-force regime using optical tweezers and ratcheted molecular dynamics simulations. The results of our studies reveal an unprecedented mechanical behavior of a natively folded protein. ACBP displays an atypical compliance along two nearly orthogonal...

  2. Direct numerical simulation of stable and unstable turbulent thermal boundary layers

    International Nuclear Information System (INIS)

    Hattori, Hirofumi; Houra, Tomoya; Nagano, Yasutaka

    2007-01-01

    This paper presents direct numerical simulations (DNS) of stable and unstable turbulent thermal boundary layers. Since a buoyancy-affected boundary layer is often encountered in an urban environmental space where stable and unstable stratifications exist, exploring a buoyancy-affected boundary layer is very important to know the transport phenomena of the flow in an urban space. Although actual observation may qualitatively provide the characteristics of these flows, the relevant quantitative turbulent quantities are very difficult to measure. Thus, in order to quantitatively investigate a buoyancy-affected boundary layer in detail, we have here carried out for the first time time- and space-developing DNS of slightly stable and unstable turbulent thermal boundary layers. The DNS results show the quantitative turbulent statistics and structures of stable and unstable thermal boundary layers, in which the characteristic transport phenomena of thermally stratified boundary layers are demonstrated by indicating the budgets of turbulent shear stress and turbulent heat flux. Even though the input of buoyant force is not large, the influence of buoyancy is clearly revealed in both stable and unstable turbulent boundary layers. In particular, it is found that both stable and unstable thermal stratifications caused by the weak buoyant force remarkably alter the structure of near-wall turbulence

  3. Hydraulic performance of compacted clay liners under simulated daily thermal cycles.

    Science.gov (United States)

    Aldaeef, A A; Rayhani, M T

    2015-10-01

    Compacted clay liners (CCLs) are commonly used as hydraulic barriers in several landfill applications to isolate contaminants from the surrounding environment and minimize the escape of leachate from the landfill. Prior to waste placement in landfills, CCLs are often exposed to temperature fluctuations which can affect the hydraulic performance of the liner. Experimental research was carried out to evaluate the effects of daily thermal cycles on the hydraulic performance of CCLs under simulated landfill conditions. Hydraulic conductivity tests were conducted on different soil specimens after being exposed to various thermal and dehydration cycles. An increase in the CCL hydraulic conductivity of up to one order of magnitude was recorded after 30 thermal cycles for soils with low plasticity index (PI = 9.5%). However, medium (PI = 25%) and high (PI = 37.2%) plasticity soils did not show significant hydraulic deviation due to their self-healing potential. Overlaying the CCL with a cover layer minimized the effects of daily thermal cycles, and maintained stable hydraulic performance in the CCLs even after exposure to 60 thermal cycles. Wet-dry cycles had a significant impact on the hydraulic aspect of low plasticity CCLs. However, medium and high plasticity CCLs maintained constant hydraulic performance throughout the test intervals. The study underscores the importance of protecting the CCL from exposure to atmosphere through covering it by a layer of geomembrane or an interim soil layer. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Numerical Simulation Procedure for Modeling TGO Crack Propagation and TGO Growth in Thermal Barrier Coatings upon Thermal-Mechanical Cycling

    Directory of Open Access Journals (Sweden)

    Ding Jun

    2014-01-01

    Full Text Available This paper reports a numerical simulation procedure to model crack propagation in TGO layer and TGO growth near a surface groove in metal substrate upon multiple thermal-mechanical cycles. The material property change method is employed to model TGO formation cycle by cycle, and the creep properties for constituent materials are also incorporated. Two columns of repeated nodes are placed along the interface of the potential crack, and these nodes are bonded together as one node at a geometrical location. In terms of critical crack opening displacement criterion, onset of crack propagation in TGO layer has been determined by finite element analyses in comparison with that without predefined crack. Then, according to the results from the previous analyses, the input values for the critical failure parameters for the subsequent analyses can be decided. The robust capabilities of restart analysis in ABAQUS help to implement the overall simulation for TGO crack propagation. The comparison of the TGO final deformation profile between numerical and experimental observation shows a good agreement indicating the correctness and effectiveness of the present procedure, which can guide the prediction of the failure in TGO for the future design and optimization for TBC system.

  5. Thermal simulations of the new design for the BELLE silicon vertex detector

    International Nuclear Information System (INIS)

    Dragic, J.

    2000-01-01

    Full text: The experienced imperfections of the BELLE silicon vertex detector, SVD1 motioned the design of a new detector, SVD2, which targets on improving the main weaknesses encountered in the old design. In this report we focus on tile thermal aspects of the SVD2 ladder, whereby sufficient cooling of the detector is necessary in order to minimise the detector leakage currents. It is estimated that reducing the temperature of the silicon detector from 25 deg C to 15 deg C would result in a 50% reduction in leak current. Further, cooling the detector would help minimize mechanical stresses from the thermal cycling. Our task is to ensure that the heat generated by the readout chips is conducted down the SVD hybrid unit effectively, such that the chip and the hybrid temperature does not overbear the SVD silicon sensor temperature. We considered the performance of two materials to act as a heat spreading plate which is glued between the two hybrids in order to improve the heat conductivity of the hybrid unit, namely Copper and Thermal Pyrolytic Graphite (TPG). The effects of other ladder components were also considered in order to enhance the cooling of the silicon detectors. Finite element analysis with ANSYS software was used to simulate the thermal conditions of the SVD2 hybrid unit, in accordance with the baseline design for the mechanical structure of the ladder. It was found that Cu was a preferred material as it achieved equivalent silicon sensor cooling (3.6 deg C above cooling point), while its mechanical properties rendered it a lot more practical. Suppressing, the thermal path via a rib support block, by increasing its thermal resistivity, as well as increasing thermal conductivity of the ribs in the hybrid region, were deemed essential in the effective cooling of the silicon sensors

  6. IMPACT OF IRRADIATION AND THERMAL AGING ON DWPF SIMULATED SLUDGE PROPERTIES

    International Nuclear Information System (INIS)

    Eibling, R; Michael Stone, M

    2006-01-01

    The research and development programs in support of the Defense Waste Processing Facility (DWPF) and other high-level waste vitrification processes require the use of both nonradioactive waste simulants and actual waste samples. While actual waste samples are the ideal materials to study, acquiring large quantities of actual waste is difficult and expensive. Tests utilizing actual high-level waste require the use of expensive shielded cells facilities to provide sufficient shielding for the researchers. Nonradioactive waste simulants have been used for laboratory testing, pilot-scale testing and full-scale integrated facility testing. These waste simulants were designed to reproduce the chemical and, if possible, the physical properties of the actual high-level waste. This technical report documents a study on the impact of irradiating a Sludge Batch 3 (SB3) simulant and of additional tests on aging a SB3 simulant by additional thermal processing. Prior simulant development studies examined methods of producing sludge and supernate simulants and processes that could be used to alter the physical properties of the simulant to more accurately mimic the properties of actual waste. Development of a precipitated sludge simulant for the River Protection Project (RPP) demonstrated that the application of heat for a period of time could significantly alter the rheology of the sludge simulant. The RPP precipitated simulant used distillation to concentrate the sludge solids and produced a reduction in sludge yield stress of up to 80% compared to the initial sludge properties. Observations at that time suggested that a substantial fraction of the iron hydroxide had converted to the oxide during the distillation. DWPF sludge simulant studies showed a much smaller reduction in yield stress (∼10%), demonstrated the impact of shear on particle size, and showed that smaller particle sizes yielded higher yield stress products. The current study documented in this report focuses

  7. Semiquantum molecular dynamics simulation of thermal properties and heat transport in low-dimensional nanostructures

    Science.gov (United States)

    Savin, Alexander V.; Kosevich, Yuriy A.; Cantarero, Andres

    2012-08-01

    We present a detailed description of semiquantum molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian equations of motion in which the effects of phonon quantum statistics are introduced through random Langevin-like forces with a specific power spectral density (the color noise). The color noise describes the interaction of the molecular system with the thermostat. We apply this technique to the simulation of thermal properties and heat transport in different low-dimensional nanostructures. We describe the determination of temperature in quantum lattice systems, to which the equipartition limit is not applied. We show that one can determine the temperature of such a system from the measured power spectrum and temperature- and relaxation-rate-independent density of vibrational (phonon) states. We simulate the specific heat and heat transport in carbon nanotubes, as well as the heat transport in molecular nanoribbons with perfect (atomically smooth) and rough (porous) edges, and in nanoribbons with strongly anharmonic periodic interatomic potentials. We show that the effects of quantum statistics of phonons are essential for the carbon nanotube in the whole temperature range T<500K, in which the values of the specific heat and thermal conductivity of the nanotube are considerably less than that obtained within the description based on classical statistics of phonons. This conclusion is also applicable to other carbon-based materials and systems with high Debye temperature like graphene, graphene nanoribbons, fullerene, diamond, diamond nanowires, etc. We show that the existence of rough edges and quantum statistics of phonons change drastically the low-temperature thermal conductivity of the nanoribbon in comparison with that of the nanoribbon with perfect edges and classical phonon dynamics and statistics. The semiquantum molecular

  8. Molecular dynamics simulations of thermally activated edge dislocation unpinning from voids in α -Fe

    Science.gov (United States)

    Byggmästar, J.; Granberg, F.; Nordlund, K.

    2017-10-01

    In this study, thermal unpinning of edge dislocations from voids in α -Fe is investigated by means of molecular dynamics simulations. The activation energy as a function of shear stress and temperature is systematically determined. Simulations with a constant applied stress are compared with dynamic simulations with a constant strain rate. We found that a constant applied stress results in a temperature-dependent activation energy. The temperature dependence is attributed to the elastic softening of iron. If the stress is normalized with the softening of the specific shear modulus, the activation energy is shown to be temperature-independent. From the dynamic simulations, the activation energy as a function of critical shear stress was determined using previously developed methods. The results from the dynamic simulations are in good agreement with the constant stress simulations, after the normalization. This indicates that the computationally more efficient dynamic method can be used to obtain the activation energy as a function of stress and temperature. The obtained relation between stress, temperature, and activation energy can be used to introduce a stochastic unpinning event in larger-scale simulation methods, such as discrete dislocation dynamics.

  9. Multiscale simulation of thermal disruption in resistance switching process in amorphous carbon

    International Nuclear Information System (INIS)

    Popov, A M; Nikishin, N G; Shumkin, G N

    2015-01-01

    The switching of material atomic structure and electric conductivity is used in novel technologies of making memory on the base of phase change. The possibility of making memory on the base of amorphous carbon is shown in experiment [1]. Present work is directed to simulation of experimentally observed effects. Ab initio quantum calculations were used for simulation of atomic structure changes in amorphous carbon [2]. These simulations showed that the resistance change is connected with thermally induced effects. The temperature was supposed to be the function of time. In present paper we propose a new multiscale, self-consistent model which combines three levels of simulation scales and takes into account the space and time dependencies of the temperature. On the first level of quantum molecular dynamic we provide the calculations of phase change in atomic structure with space and time dependence of the temperature. Nose-Hover thermostats are used for MD simulations to reproduce space dependency of the temperature. It is shown that atomic structure is localized near graphitic layers in conducting dot. Structure parameter is used then on the next levels of the modeling. Modified Ehrenfest Molecular Dynamics is used on the second level. Switching evolution of electronic subsystem is obtained. In macroscopic scale level the heat conductivity equation for continuous media is used for calculation space-time dependence of the temperature. Joule heat source depends on structure parameter and electric conductivity profiles obtained on previous levels of modeling. Iterative procedure is self-consistently repeated combining three levels of simulation. Space localization of Joule heat source leads to the thermal disruption. Obtained results allow us to explain S-form of the Volt-Ampere characteristic observed in experiment. Simulations were performed on IBM Blue Gene/P supercomputer at Moscow State University. (paper)

  10. Network Unfolding Map by Vertex-Edge Dynamics Modeling.

    Science.gov (United States)

    Verri, Filipe Alves Neto; Urio, Paulo Roberto; Zhao, Liang

    2018-02-01

    The emergence of collective dynamics in neural networks is a mechanism of the animal and human brain for information processing. In this paper, we develop a computational technique using distributed processing elements in a complex network, which are called particles, to solve semisupervised learning problems. Three actions govern the particles' dynamics: generation, walking, and absorption. Labeled vertices generate new particles that compete against rival particles for edge domination. Active particles randomly walk in the network until they are absorbed by either a rival vertex or an edge currently dominated by rival particles. The result from the model evolution consists of sets of edges arranged by the label dominance. Each set tends to form a connected subnetwork to represent a data class. Although the intrinsic dynamics of the model is a stochastic one, we prove that there exists a deterministic version with largely reduced computational complexity; specifically, with linear growth. Furthermore, the edge domination process corresponds to an unfolding map in such way that edges "stretch" and "shrink" according to the vertex-edge dynamics. Consequently, the unfolding effect summarizes the relevant relationships between vertices and the uncovered data classes. The proposed model captures important details of connectivity patterns over the vertex-edge dynamics evolution, in contrast to the previous approaches, which focused on only vertex or only edge dynamics. Computer simulations reveal that the new model can identify nonlinear features in both real and artificial data, including boundaries between distinct classes and overlapping structures of data.

  11. Bosonic Fradkin-Tseytlin equations unfolded

    Energy Technology Data Exchange (ETDEWEB)

    Shaynkman, O.V. [I.E.Tamm Theory Department, Lebedev Physical Institute,Leninski prospect 53, 119991, Moscow (Russian Federation)

    2016-12-22

    We test infinite-dimensional extension of algebra su(k,k) proposed by Fradkin and Linetsky as the candidate for conformal higher spin algebra. Adjoint and twisted-adjoint representations of su(k,k) on the space of this algebra are carefully explored. For k=2 corresponding unfolded system is analyzed and it is shown to encode Fradkin-Tseytlin equations for the set of all integer spins 1,2,… with infinite multiplicity.

  12. Thermal Simulation of the Fresh Food Compartment in a Domestic Refrigerator

    Directory of Open Access Journals (Sweden)

    Juan M. Belman-Flores

    2017-01-01

    Full Text Available In the field of domestic refrigeration, it is important to look for methods that can be used to simulate, and, thus, improve the thermal behavior of the fresh food compartment. In this sense, this study proposes some methods to model the thermal behavior of this compartment when the shelves’ positions are changed. Temperature measurements at specific locations in this compartment were obtained. Several shelf position combinations were performed to use three 2D interpolation methods in order to simulate the temperature mean and the temperature variance. The methods used were: Lagrange’s interpolation, cubic spline interpolation and bilinear interpolation. Two validation points were chosen to verify the proposed methods. By comparing the experimental results with the computer simulations, it was possible to conclude that the method of Lagrange’s interpolation provided values that were not close to the real measured values. On the other hand, it was observed that the method of bilinear interpolation offered the best results, estimating values which were very close to the actual experimental measurements. These interpolation methods were used to build color thermal graphs that can be used to find some of the most appropriate shelf position combinations in this type of refrigerator. By inspection of these thermal graphs, it can be seen that the lowest average temperature was obtained when one shelf was located at 24.5 cm while the second shelf was located at 29.5 cm measured from the top of the compartment. In the same way, it can be seen that the minimum temperature variance was obtained when only one shelf was inside the compartment and this shelf was located at 29.5 cm.

  13. Laser treatment of female stress urinary incontinence: optical, thermal, and tissue damage simulations

    Science.gov (United States)

    Hardy, Luke A.; Chang, Chun-Hung; Myers, Erinn M.; Kennelly, Michael J.; Fried, Nathaniel M.

    2016-02-01

    Treatment of female stress urinary incontinence (SUI) by laser thermal remodeling of subsurface tissues is studied. Light transport, heat transfer, and thermal damage simulations were performed for transvaginal and transurethral methods. Monte Carlo (MC) provided absorbed photon distributions in tissue layers (vaginal wall, endopelvic fascia, urethral wall). Optical properties (n,μa,μs,g) were assigned to each tissue at λ=1064 nm. A 5-mm-diameter laser beam and power of 5 W for 15 s was used, based on previous experiments. MC output was converted into absorbed energy, serving as input for ANSYS finite element heat transfer simulations of tissue temperatures over time. Convective heat transfer was simulated with contact cooling probe set at 0 °C. Thermal properties (κ,c,ρ) were assigned to each tissue layer. MATLAB code was used for Arrhenius integral thermal damage calculations. A temperature matrix was constructed from ANSYS output, and finite sum was incorporated to approximate Arrhenius integral calculations. Tissue damage properties (Ea,A) were used to compute Arrhenius sums. For the transvaginal approach, 37% of energy was absorbed in endopelvic fascia layer with 0.8% deposited beyond it. Peak temperature was 71°C, treatment zone was 0.8-mm-diameter, and almost all of 2.7-mm-thick vaginal wall was preserved. For transurethral approach, 18% energy was absorbed in endopelvic fascia with 0.3% deposited beyond it. Peak temperature was 80°C, treatment zone was 2.0-mm-diameter, and only 0.6 mm of 2.4-mm-thick urethral wall was preserved. A transvaginal approach is more feasible than transurethral approach for laser treatment of SUI.

  14. Phase-field simulations of pore migration and morphology change in thermal gradients

    Energy Technology Data Exchange (ETDEWEB)

    Vance, Ian W.; Millett, Paul C., E-mail: pmillett@uark.edu

    2017-07-15

    Here we present a phase-field simulation model that captures the thermal-gradient-driven migration of pores in oxide fuel associated with fuel restructuring. The model utilizes a Cahn-Hilliard equation supplemented with an advection term to describe the vapor transport of fuel material through the pore interior due to gradients in vapor pressure. Simulations demonstrate that the model not only predicts pore migration towards the centerline of the fuel, but also a concurrent change in pore shape during migration from an initially isotropic morphology to either a lenticular morphology or a prolate morphology depending on the vapor transport conditions. This model is a necessary first step to conducting accurate simulations of the microscopic changes that occur during the complicated process of oxide fuel restructuring.

  15. Thermography During Thermal Test of the Gaia Deployable Sunshield Assembly Qualification Model in the ESTEC Large Space Simulator

    Science.gov (United States)

    Simpson, R.; Broussely, M.; Edwards, G.; Robinson, D.; Cozzani, A.; Casarosa, G.

    2012-07-01

    The National Physical Laboratory (NPL) and The European Space Research and Technology Centre (ESTEC) have performed for the first time successful surface temperature measurements using infrared thermal imaging in the ESTEC Large Space Simulator (LSS) under vacuum and with the Sun Simulator (SUSI) switched on during thermal qualification tests of the GAIA Deployable Sunshield Assembly (DSA). The thermal imager temperature measurements, with radiosity model corrections, show good agreement with thermocouple readings on well characterised regions of the spacecraft. In addition, the thermal imaging measurements identified potentially misleading thermocouple temperature readings and provided qualitative real-time observations of the thermal and spatial evolution of surface structure changes and heat dissipation during hot test loadings, which may yield additional thermal and physical measurement information through further research.

  16. SENSOR++: Simulation of Remote Sensing Systems from Visible to Thermal Infrared

    Science.gov (United States)

    Paproth, C.; Schlüßler, E.; Scherbaum, P.; Börner, A.

    2012-07-01

    During the development process of a remote sensing system, the optimization and the verification of the sensor system are important tasks. To support these tasks, the simulation of the sensor and its output is valuable. This enables the developers to test algorithms, estimate errors, and evaluate the capabilities of the whole sensor system before the final remote sensing system is available and produces real data. The presented simulation concept, SENSOR++, consists of three parts. The first part is the geometric simulation which calculates where the sensor looks at by using a ray tracing algorithm. This also determines whether the observed part of the scene is shadowed or not. The second part describes the radiometry and results in the spectral at-sensor radiance from the visible spectrum to the thermal infrared according to the simulated sensor type. In the case of earth remote sensing, it also includes a model of the radiative transfer through the atmosphere. The final part uses the at-sensor radiance to generate digital images by using an optical and an electronic sensor model. Using SENSOR++ for an optimization requires the additional application of task-specific data processing algorithms. The principle of the simulation approach is explained, all relevant concepts of SENSOR++ are discussed, and first examples of its use are given, for example a camera simulation for a moon lander. Finally, the verification of SENSOR++ is demonstrated.

  17. Thermal Hydraulic Computational Fluid Dynamics Simulations and Experimental Investigation of Deformed Fuel Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Mays, Brian [AREVA Federal Services, Lynchburg, VA (United States); Jackson, R. Brian [TerraPower, Bellevue, WA (United States)

    2017-03-08

    The project, Toward a Longer Life Core: Thermal Hydraulic CFD Simulations and Experimental Investigation of Deformed Fuel Assemblies, DOE Project code DE-NE0008321, was a verification and validation project for flow and heat transfer through wire wrapped simulated liquid metal fuel assemblies that included both experiments and computational fluid dynamics simulations of those experiments. This project was a two year collaboration between AREVA, TerraPower, Argonne National Laboratory and Texas A&M University. Experiments were performed by AREVA and Texas A&M University. Numerical simulations of these experiments were performed by TerraPower and Argonne National Lab. Project management was performed by AREVA Federal Services. The first of a kind project resulted in the production of both local point temperature measurements and local flow mixing experiment data paired with numerical simulation benchmarking of the experiments. The project experiments included the largest wire-wrapped pin assembly Mass Index of Refraction (MIR) experiment in the world, the first known wire-wrapped assembly experiment with deformed duct geometries and the largest numerical simulations ever produced for wire-wrapped bundles.

  18. Measurements of Regolith Simulant Thermal Conductivity Under Asteroid and Mars Surface Conditions

    Science.gov (United States)

    Ryan, A. J.; Christensen, P. R.

    2017-12-01

    Laboratory measurements have been necessary to interpret thermal data of planetary surfaces for decades. We present a novel radiometric laboratory method to determine temperature-dependent thermal conductivity of complex regolith simulants under rough to high vacuum and across a wide range of temperatures. This method relies on radiometric temperature measurements instead of contact measurements, eliminating the need to disturb the sample with thermal probes. We intend to determine the conductivity of grains that are up to 2 cm in diameter and to parameterize the effects of angularity, sorting, layering, composition, and eventually cementation. We present the experimental data and model results for a suite of samples that were selected to isolate and address regolith physical parameters that affect bulk conductivity. Spherical glass beads of various sizes were used to measure the effect of size frequency distribution. Spherical beads of polypropylene and well-rounded quartz sand have respectively lower and higher solid phase thermal conductivities than the glass beads and thus provide the opportunity to test the sensitivity of bulk conductivity to differences in solid phase conductivity. Gas pressure in our asteroid experimental chambers is held at 10^-6 torr, which is sufficient to negate gas thermal conduction in even our coarsest of samples. On Mars, the atmospheric pressure is such that the mean free path of the gas molecules is comparable to the pore size for many regolith particulates. Thus, subtle variations in pore size and/or atmospheric pressure can produce large changes in bulk regolith conductivity. For each sample measured in our martian environmental chamber, we repeat thermal measurement runs at multiple pressures to observe this behavior. Finally, we present conductivity measurements of angular basaltic simulant that is physically analogous to sand and gravel that may be present on Bennu. This simulant was used for OSIRIS-REx TAGSAM Sample Return

  19. Numerical simulation of CTE mismatch and thermal-structural stresses in the design of interconnects

    Science.gov (United States)

    Peter, Geoffrey John M.

    With the ever-increasing chip complexity, interconnects have to be designed to meet the new challenges. Advances in optical lithography have made chip feature sizes available today at 70 nm dimensions. With advances in Extreme Ultraviolet Lithography, X-ray Lithography, and Ion Projection Lithography it is expected that the line width will further decrease to 20 nm or less. With the decrease in feature size, the number of active devices on the chip increases. With higher levels of circuit integration, the challenge is to dissipate the increased heat flux from the chip surface area. Thermal management considerations include coefficient of thermal expansion (CTE) matching to prevent failure between the chip and the board. This in turn calls for improved system performance and reliability of the electronic structural systems. Experience has shown that in most electronic systems, failures are mostly due to CTE mismatch between the chip, board, and the solder joint (solder interconnect). The resulting high thermal-structural stress and strain due to CTE mismatch produces cracks in the solder joints with eventual failure of the electronic component. In order to reduce the thermal stress between the chip, board, and the solder joint, this dissertation examines the effect of inserting wire bundle (wire interconnect) between the chip and the board. The flexibility of the wires or fibers would reduce the stress at the rigid joints. Numerical simulations of two, and three-dimensional models of the solder and wire interconnects are examined. The numerical simulation is linear in nature and is based on linear isotropic material properties. The effect of different wire material properties is examined. The effect of varying the wire diameter is studied by changing the wire diameter. A major cause of electronic equipment failure is due to fatigue failure caused by thermal cycling, and vibrations. A two-dimensional modal and harmonic analysis was simulated for the wire interconnect

  20. Simulation of Missing Pellet Surface thermal behavior with 3D dynamic gap element

    International Nuclear Information System (INIS)

    Kim, Hyo Chan; Yang, Yong Sik; Koo, Yang Hyun; Kang, Chang Hak; Lee Sung Uk; Yang, Dong Yol

    2014-01-01

    Most of the fuel performance codes that are able to simulate a multidimensional analysis are used to calculate the radial temperature distribution and perform a multidimensional mechanical analysis based on a one-dimensional (1D) temperature result. The FRAPCON-FRAPTRAN code system incorporates a 1D thermal module and two-dimensional (2D) mechanical module when FEM option is activated. In this method, the multidimensional gap conductance model is not required because one-dimensional thermal analysis is carried out. On the other hand, a gap conductance model for a multi-dimension should be developed in the code to perform a multidimensional thermal analysis. ALCYONE developed by CEA introduces an equivalent heat convection coefficient that represents the multidimensional gap conductance. However, the code does not employ dynamic gap conductance which is a function of gap thickness and gap characteristics in direct. The BISON code, which has been developed by INL (Idaho National Laboratory), employed a thermo-mechanical contact method that is specifically designed for tightly-coupled implicit solutions that employ Jacobian-free solution methods. Owing to tightly-coupled implicit solutions, the BISON code solves gap conductance and gap thickness simultaneously with given boundary conditions. In this paper, 3D dynamic gap element has been proposed to resolve convergence issue and nonlinear characteristic of multidimensional gap conductance. To evaluate 3D dynamic gap element module, 3D thermomechanical module using FORTRAN77 has been implemented incorporating 3D dynamic gap element. To demonstrate effect of 3D dynamic gap element, thermal behavior of missing pellet surface (MPS) has been simulated by the developed module. LWR fuel performance codes should incorporate thermo-mechanical loop to solve gap conductance problem, iteratively. However, gap conductance in multidimensional model is difficult issue owing to its nonlinearity and convergence characteristics. In

  1. Simulation of thermal response of the 250 MWT modular HTGR during hypothetical uncontrolled heatup accidents

    International Nuclear Information System (INIS)

    Harrington, R.M.; Ball, S.J.

    1985-01-01

    One of the central design features of the 250 MWT modular HTGR is the ability to withstand uncontrolled heatup accidents without severe consequences. This paper describes calculational studies, conducted to test this design feature. A multi-node thermal-hydraulic model of the 250 MWT modular HTGR reactor core was developed and implemented in the IBM CSMP (Continuous System Modeling Program) simulation language. Survey calculations show that the loss of forced circulation accident with loss of steam generator cooling water and with accidental depressurization is the most severe heatup accident. The peak hot-spot fuel temperature is in the neighborhood of 1600 0 C. Fuel failure and fission product releases for such accidents would be minor. Sensitivity studies show that code input assumptions for thermal properties such as the side reflector conductivity have a significant effect on the peak temperature. A computer model of the reactor vessel cavity concrete wall and its surrounding earth was developed to simulate the extremely unlikely and very slowly-developing heatup accident that would take place if the worst-case loss of forced primary coolant circulation accident were further compounded by the loss of cooling water to the reactor vessel cavity liner cooling system. Results show that the ability of the earth surrounding the cavity to act as a satisfactory long-term heat sink is very sensitive to the assumed rate of decay heat generation and on the effective thermal conductivity of the earth

  2. Two-dimensional simulation of the thermal stress effect on static and dynamic VDMOS characteristics

    International Nuclear Information System (INIS)

    Alwan, M.; Beydoun, B.; Ketata, K.; Zoaeter, M.

    2005-01-01

    Using a two-dimensional simulator, the effect of the thermal stress on static and dynamic vertical double-diffusion metal oxide semiconductor (VDMOS) characteristics have been investigated. The use of the device under certain thermal stress conditions can produce modifications of its physical and electrical properties. Based on physics and 2D simulations, this paper proposes an analysis of this stress effect observed on the electrical characteristics of the device. Parameters responsible of these modifications are determined. Approximate expressions of the ionization coefficients and breakdown voltage in terms of temperature are proposed. Non-punch-through junction theory is used to express the breakdown voltage and the space charge extension with respect to the impurity concentration and the temperature. The capacitances of the device have been also studied. The effect of the stress on C-V characteristics is observed and analyzed. We notice that the drain-gate, drain-source and gate-source capacitances are shifted due to the degradation of device physical properties versus thermal stress

  3. Design, simulation and optimization of a solar dish collector with spiral-coil thermal absorber

    Directory of Open Access Journals (Sweden)

    Pavlović Saša R.

    2016-01-01

    Full Text Available The efficient conversion of solar radiation into heat at high temperature levels requires the use of concentrating solar collectors. The goal of this paper is to present the optical and the thermal analysis of a parabolic dish concentrator with a spiral coil receiver. The parabolic dish reflector consists of 11 curvilinear trapezoidal reflective petals constructed by PMMA with silvered mirror layer and has a diameter of 3.8 m, while its focal distance is 2.26m. This collector is designed with commercial software SolidWorks and simulated, optically and thermally in its Flow Simulation Studio. The optical analysis proved that the ideal position of the absorber is at 2.1m from the reflector in order to maximize the optical efficiency and to create a relative uniform heat flux over the absorber. In thermal part of the analysis, the energetic efficiency was calculated approximately 65%, while the exergetic efficiency is varied from 4% to 15% according to the water inlet temperature. Moreover, other important parameters as the heat flux and temperature distribution over the absorber are presented. The pressure drop of the absorber coil is calculated at 0.07bar, an acceptable value.

  4. Weldability examination of ASTM A 240 S41500 martensitic stainless steel by thermal cycles simulation testings

    Directory of Open Access Journals (Sweden)

    Alberto Velázquez-del Rosario

    2015-07-01

    Full Text Available The weldability assets of ASTM A 240 S41500 (ASTM A 240/A 240M martensitic stainless steel are presented through the study of the effects of single and double thermal weld cycles on mechanical properties and microstructure of base metal (BM and the artificial heat affected zone (HAZ created by thermal weld simulations. For single cycles, separate peak temperatures of 1000 ºC/12 s and 1350 ºC/12 s (cooling times: 12 s in both cases were evaluated, whilst two combinations of peak temperatures: (1350 ºC/5 s + 1000 ºC/5 s ºC and (1350 ºC/12 s + 1000 ºC/12 s ºC (cooling times: 5 s and 12 s, were applied for double cycles. Post weld heat treatment (PWHT with short and long holding times were applied and Vickers hardness, impact toughness and metallographic examinations were used in order to assess mechanical and metallographic properties in the as-simulated (no heat treated and postweld heat treated conditions. Best properties of the welded joint for double thermal weld cycles with long holding times were reached, which reveals the good weldability and applicability of the tested material in post weld heat treated conditions.

  5. Thermal conductivity of nanocrystalline SiGe alloys using molecular dynamics simulations

    Science.gov (United States)

    Abs da Cruz, Carolina; Katcho, Nebil A.; Mingo, Natalio; Veiga, Roberto G. A.

    2013-10-01

    We have studied the effect of nanocrystalline microstructure on the thermal conductivity of SiGe alloys using molecular dynamics simulations. Nanograins are modeled using both the coincidence site lattice and the Voronoi tessellation methods, and the thermal conductivity is computed using the Green-Kubo formalism. We analyze the dependence of the thermal conductivity with temperature, grain size L, and misorientation angle. We find a power dependence of L1/4 of the thermal conductivity with the grain size, instead of the linear dependence shown by non-alloyed nanograined systems. This dependence can be derived analytically underlines the important role that disorder scattering plays even when the grains are of the order of a few nm. This is in contrast to non-alloyed systems, where phonon transport is governed mainly by the boundary scattering. The temperature dependence is weak, in agreement with experimental measurements. The effect of angle misorientation is also small, which stresses the main role played by the disorder scattering.

  6. TMAP-7 simulation of D2 thermal release data from Be co-deposited layers

    International Nuclear Information System (INIS)

    Baldwin, M.J.; Schwarz-Selinger, T.; Yu, J.H.; Doerner, R.P.

    2013-01-01

    The efficacy of (1) bake-out at 513 K and 623 K, and (2) thermal transient (10 ms) loading to up to 1000 K, is explored for reducing D inventory in 1 μm thick Be–D (D/Be ∼0.1) co-deposited layers formed at 323 K for experiment (1) and ∼500 K for experiment (2). D release data from co-deposits are obtained by thermal desorption and used to validate a model input into the Tritium Migration and Analysis Program 7 (TMAP). In (1), good agreement with experiment is found for a TMAP model encorporating traps of activation energies, 0.80 eV and 0.98 eV, whereas an additional 2 eV trap was required to model experiment (2). Thermal release is found to be trap limited, but simulations are optimal when surface recombination is taken into account. Results suggest that thick built-up co-deposited layers will hinder ITER inventory control, and that bake periods (∼1 day) will be more effective in inventory reduction than transient thermal loading

  7. TMAP-7 simulation of D2 thermal release data from Be co-deposited layers

    Science.gov (United States)

    Baldwin, M. J.; Schwarz-Selinger, T.; Yu, J. H.; Doerner, R. P.

    2013-07-01

    The efficacy of (1) bake-out at 513 K and 623 K, and (2) thermal transient (10 ms) loading to up to 1000 K, is explored for reducing D inventory in 1 μm thick Be-D (D/Be ˜0.1) co-deposited layers formed at 323 K for experiment (1) and ˜500 K for experiment (2). D release data from co-deposits are obtained by thermal desorption and used to validate a model input into the Tritium Migration & Analysis Program 7 (TMAP). In (1), good agreement with experiment is found for a TMAP model encorporating traps of activation energies, 0.80 eV and 0.98 eV, whereas an additional 2 eV trap was required to model experiment (2). Thermal release is found to be trap limited, but simulations are optimal when surface recombination is taken into account. Results suggest that thick built-up co-deposited layers will hinder ITER inventory control, and that bake periods (˜1 day) will be more effective in inventory reduction than transient thermal loading.

  8. Numerical Simulations of Thermo-Mechanical Processes during Thermal Spallation Drilling for Geothermal Reservoirs

    Science.gov (United States)

    Vogler, D.; Walsh, S. D. C.; Rudolf von Rohr, P.; Saar, M. O.

    2017-12-01

    Drilling expenses constitute a significant share of the upfront capital costs and thereby the associated risks of geothermal energy production. This is especially true for deep boreholes, as drilling costs per meter increase significantly with depth. Thermal spallation drilling is a relatively new drilling technique, particularly suited to the hard crystalline (e.g., basement) rocks in which many deep geothermal resources are located. The method uses a hot jet-flame to rapidly heat the rock surface, which leads to large temperature gradients in the rock. These temperature gradients cause localized thermal stresses that, in combination with the in situ stress field, lead to the formation and ejection of spalls. These spalls are then transported out of the borehole with the drilling mud. Thermal spallation not only in principle enables much faster rates of penetration than traditional rotary drilling, but is also contact-less, which significantly reduces the long tripping times associated with conventional rotary head drilling. We present numerical simulations investigating the influence of rock heterogeneities on the thermal spallation process. Special emphasis is put on different mineral compositions, stress regimes, and heat sources.

  9. The simulation of transients in thermal plant. Part I: Mathematical model

    International Nuclear Information System (INIS)

    Morini, G.L.; Piva, S.

    2007-01-01

    This paper deals with the simulation of the transient behaviour of thermal plant with control systems. It is always more difficult for a designer to predict the effects on the plant of the control processes because of the increasing complexity of plants and control systems. The easiest way to obtain information about the dynamic behaviour of a thermal plant at the design-stage involves assessing the suitability of specific computer codes. To this end, the present work demonstrates that nowadays it is possible, by using the opportunities offered by some general purpose calculation systems, to obtain such significant information. It is described how a 'thermal-library' of customized blocks (one for each component of a thermal plant such as valves, boilers, and pumps) can be built and used, in an intuitive way, to study any kind of plant. As an example, the dynamic behaviour of a residential heating system will be shown in a companion paper, forming part II of the present article

  10. Validating subject-specific RF and thermal simulations in the calf muscle using MR-based temperature measurements

    NARCIS (Netherlands)

    Simonis, Ffj; Raaijmakers, Aje; Lagendijk, Jjw; van den Berg, Cat

    2017-01-01

    Purpose: Ongoing discussions occur to translate the safety restrictions on MR scanners from specific absorption rate (SAR) to thermal dose. Therefore, this research focuses on the accuracy of thermal simulations in human subjects during an MR exam, which is fundamental information in that debate.

  11. Simulation and optimisation of a position sensitive scintillation detector with wavelength shifting fibers for thermal neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Herzkamp, Matthias; Engels, Ralf; Kemmerling, Guenter [ZEA-2, Forschungszentrum Juelich (Germany); Brueckel, Thomas [JCNS, Forschungszentrum Juelich (Germany); Stahl, Achim [III. Physikalisches Institut B, RWTH Aachen (Germany); Waasen, Stefan van [ZEA-2, Forschungszentrum Juelich (Germany); Faculty of Engineering, University of Duisburg-Essen (Germany)

    2015-07-01

    In neutron scattering experiments it is important to have position sensitive large scale detectors for thermal neutrons. A detector based on a neutron scintillator with wave length shifting fibers is a new kind of such a detector. We present the simulation of the detector based on the microscopic structure of the scintillation material of the mentioned detector. It consists of a converter and a scintillation powder bound in a matrix. The converter in our case is lithium fluoride with enriched lithium 6, to convert thermal neutrons into high energetic alpha and triton particles. The scintillation material is silver doped zinc sulfide. We show that pulse height spectra obtained by these scintillators can be be explained by the simple model of randomly distributed spheres of zinc sulfide and lithium fluoride. With this model, it is possible to optimise the mass ratio of zinc sulfide to lithium fluoride with respect to detection efficiency and/or energy deposition in zinc sulfide.

  12. Thermal Expansion and Density Data of UO2 and Simulated Fuel for Standard Reference

    International Nuclear Information System (INIS)

    Yang, Jae Hwan; Na, S. H.; Lee, J. W.; Kang, K. H.

    2010-01-01

    Standard Reference Data (SRD) is the scientific, technical data whose reliability and accuracy are evaluated by scientist group. Since SRD has a great impact on the improvement of national competitiveness by stirring up technological innovation in every sector of industries, many countries are making great efforts on establishing SRD in various areas. Data center for nuclear fuel material in Korea Atomic Energy Research Institute plays a role to providing property data of nuclear fuel material at high temperature, pressure, and radiation which are essential for the safety evaluation of nuclear power. In this study, standardization of data on thermal expansion and density of UO 2 were carried out in the temperature range from 300 K to 3100 K via uncertainty evaluation of indirectly produced data. Besides, standardization of data on thermal expansion and density of simulated fuel were also done in the temperature range from 350 K to 1750 K via uncertainty evaluation of directly produced data

  13. GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

    International Nuclear Information System (INIS)

    Ferrer, J; García-Suárez, V M; Rodríguez-Ferradás, R; Lambert, C J; Manrique, D Zs; Visontai, D; Grace, I; Bailey, S W D; Gillemot, K; Sadeghi, Hatef; Algharagholy, L A; Oroszlany, L

    2014-01-01

    We have developed an efficient simulation tool ‘GOLLUM’ for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functionalities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as local density approximation +U (LDA+U) and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects, and pulling curves and conductance histograms for mechanically-controlled break-junction experiments. (paper)

  14. Simulation, design and thermal analysis of a solar Stirling engine using MATLAB

    International Nuclear Information System (INIS)

    Shazly, J.H.; Hafez, A.Z.; El Shenawy, E.T.; Eteiba, M.B.

    2014-01-01

    Highlights: • Modeling and simulation for a prototype of the solar-powered Stirling engine. • The solar-powered Stirling engine working at the low temperature range. • Estimating output power from the solar Stirling engine using Matlab program. • Solar radiation simulation program presents a solar radiation data using MATLAB. - Abstract: This paper presents the modeling and simulation for a prototype of the solar-powered Stirling engine working at the low temperature range. A mathematical model for the thermal analysis of the solar-powered low temperature Stirling engine with heat transfer is developed using Matlab program. The model takes into consideration the effect of the absorber temperature on the thermal analysis like as radiation and convection heat transfer between the absorber and the working fluid as well as radiation and convection heat transfer between the lower temperature plate and the working fluid. Hence, the present analysis provides a theoretical guidance for designing and operating of the solar-powered low temperature Stirling engine system, as well as estimating output power from the solar Stirling engine using Matlab program. This study attempts to demonstrate the potential of the low temperature Stirling engine as an option for the prime movers for Photovoltaic tracking systems. The heat source temperature is 40–60 °C as the temperature available from the sun directly

  15. Simulation of Thermal Flow Problems via a Hybrid Immersed Boundary-Lattice Boltzmann Method

    Directory of Open Access Journals (Sweden)

    J. Wu

    2012-01-01

    Full Text Available A hybrid immersed boundary-lattice Boltzmann method (IB-LBM is presented in this work to simulate the thermal flow problems. In current approach, the flow field is resolved by using our recently developed boundary condition-enforced IB-LBM (Wu and Shu, (2009. The nonslip boundary condition on the solid boundary is enforced in simulation. At the same time, to capture the temperature development, the conventional energy equation is resolved. To model the effect of immersed boundary on temperature field, the heat source term is introduced. Different from previous studies, the heat source term is set as unknown rather than predetermined. Inspired by the idea in (Wu and Shu, (2009, the unknown is calculated in such a way that the temperature at the boundary interpolated from the corrected temperature field accurately satisfies the thermal boundary condition. In addition, based on the resolved temperature correction, an efficient way to compute the local and average Nusselt numbers is also proposed in this work. As compared with traditional implementation, no approximation for temperature gradients is required. To validate the present method, the numerical simulations of forced convection are carried out. The obtained results show good agreement with data in the literature.

  16. Numerical simulation of a passive scalar transport from thermal power plants

    Science.gov (United States)

    Issakhov, Alibek; Baitureyeva, Aiymzhan

    2017-06-01

    The active development of the industry leads to an increase in the number of factories, plants, thermal power plants, nuclear power plants, thereby increasing the amount of emissions into the atmosphere. Harmful chemicals are deposited on the soil surface, remain in the atmosphere, which leads to a variety of environmental problems which are harmful for human health and the environment, flora and fauna. Considering the above problems, it is very important to control the emissions to keep them at an acceptable level for the environment. In order to do that it is necessary to investigate the spread of harmful emissions. The best way to assess it is the creating numerical simulation of gaseous substances' motion. In the present work the numerical simulation of the spreading of emissions from the thermal power plant chimney is considered. The model takes into account the physical properties of the emitted substances and allows to calculate the distribution of the mass fractions, depending on the wind velocity and composition of emissions. The numerical results were performed using the ANSYS Fluent software package. As a result, the results of numerical simulations and the graphs are given.

  17. Improved thermal lattice Boltzmann model for simulation of liquid-vapor phase change

    Science.gov (United States)

    Li, Qing; Zhou, P.; Yan, H. J.

    2017-12-01

    In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037]. First, we emphasize that the replacement of ∇ .(λ ∇ T ) /∇.(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) is an inappropriate treatment for diffuse interface modeling of liquid-vapor phase change. Furthermore, the error terms ∂t 0(T v ) +∇ .(T vv ) , which exist in the macroscopic temperature equation recovered from the previous model, are eliminated in the present model through a way that is consistent with the philosophy of the LB method. Moreover, the discrete effect of the source term is also eliminated in the present model. Numerical simulations are performed for droplet evaporation and bubble nucleation to validate the capability of the model for simulating liquid-vapor phase change. It is shown that the numerical results of the improved model agree well with those of a finite-difference scheme. Meanwhile, it is found that the replacement of ∇ .(λ ∇ T ) /∇ .(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) leads to significant numerical errors and the error terms in the recovered macroscopic temperature equation also result in considerable errors.

  18. The relevance of thermal hydraulics pipeline simulation as a regulatory support tool

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Patricia Mannarino; Santos, Almir Beserra dos [Agencia Nacional do Petroleo, Gas Natural e Biocombustiveis (ANP), Rio de Janeiro, RJ (Brazil)

    2009-07-01

    The capacity definition of a pipeline, along with its allocation, is very relevant to assure market transparency, nondiscriminatory access, security of supply, and also to give consistent signs for expansion needs. Nevertheless, the capacity definition is a controversial issue, and may widely vary depending on the technical and commercial assumptions made. To calculate a pipeline's nominal capacity, there are a variety of simulation tools, which include steady state, transient and on-line computer programs. It is desirable that the simulation tool is robust enough to predict the pipeline's capacity under different conditions. There are many variables that impact the flow through a pipeline, like gas characteristics, pipe and environmental variables. Designing a thermal model is a time-consuming task that requests understanding the level of detail need, in order to achieve success in its application. This article discusses the capacity definition, its role and calculation guidelines, describes ANP's experience with capacity calculation and further challenges according to the new regulation, and debates the role of thermal hydraulic simulation as a regulatory tool. (author)

  19. CFD SIMULATION FOR DEMILITARIZATION OF RDX IN A ROTARY KILN BY THERMAL DECOMPOSITION

    Directory of Open Access Journals (Sweden)

    SI H. LEE

    2017-06-01

    Full Text Available Demilitarization requires the recovery and disposal of obsolete ammunition and explosives. Since open burning/detonation of hazardous waste has caused serious environmental and safety problems, thermal decomposition has emerged as one of the most feasible methods. RDX is widely used as a military explosive due to its high melting temperature and detonation power. In this work, the feasible conditions under which explosives can be safely incinerated have been investigated via a rotary kiln simulation. To solve this problem, phase change along with the reactions of RDX has been incisively analyzed. A global reaction mechanism consisting of condensed phase and gas phase reactions are used in Computational Fluid Dynamics simulation. User Defined Functions in FLUENT is utilized in this study to inculcate the reactions and phase change into the simulation. The results divulge the effect of temperature and the varying amounts of gas produced in the rotary kiln during the thermal decomposition of RDX. The result leads to the prospect of demilitarizing waste explosives to avoid the possibility of detonation.

  20. Development of the Real-time Core and Thermal-Hydraulic Models for Kori-1 Simulator

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Jin Hyuk; Lee, Myeong Soo; Hwang, Do Hyun; Byon, Soo Jin [KEPRI, Daejeon (Korea, Republic of)

    2010-10-15

    The operation of the Kori-Unit 1 (1723.5MWt) is expanded to additional 10 years with upgrades of the Main Control Room (MCR). Therefore, the revision of the procedures, performance tests and works related with the exchange of the Main Control Board (MCB) are currently carried out. And as a part of it, the fullscope simulator for the Kori-1 is being developed for the purpose of the pre-operation and emergence response capability for the operators. The purpose of this paper is to report on the performance of the developed neutronics and thermal-hydraulic (TH) models of Kori Unit 1 simulator. The neutronics model is based on the NESTLE code and TH model based on the RELAP5/MOD3 thermal-hydraulics analysis code which was funded as FY-93 LDRD Project 7201 and is running on the commercial simulator environment tool (the 3KeyMaster{sup TM} of the WSC). As some examples for the verification of the developed neutronics and TH models, some figures are provided. The outputs of the developed neutronics and TH models are in accord with the Nuclear Design Report (NDR) and Final Safety Analysis Report (FSAR) of the reference plant

  1. Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

    KAUST Repository

    Sun, Sheng

    2011-01-01

    Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium positions using a spring with force constant of 2.0kcal/(molÅ2) in the external electric field of 1.4kcal/(molÅe), only constraint on lateral motions of lipid tails prohibited electroporation while non-tail parts had little effects. When force constant decreased to 0.2kcal/(molÅ2) in the position constraints on lipid tails in the external electric field of 2.0kcal/(molÅe), water molecules began to enter the membrane. Position constraints of lipid tails allow water to penetrate from both sides of membrane. Thermal motion of lipids can induce initial defects in the hydrophobic core of membrane, which are favorable nucleation sites for electroporation. Simulations at different temperatures revealed that as the temperature increases, the time taken to the initial pore formation will decrease. © 2010 Elsevier Inc.

  2. Neutron spectra unfolding with maximum entropy and maximum likelihood

    International Nuclear Information System (INIS)

    Itoh, Shikoh; Tsunoda, Toshiharu

    1989-01-01

    A new unfolding theory has been established on the basis of the maximum entropy principle and the maximum likelihood method. This theory correctly embodies the Poisson statistics of neutron detection, and always brings a positive solution over the whole energy range. Moreover, the theory unifies both problems of overdetermined and of underdetermined. For the latter, the ambiguity in assigning a prior probability, i.e. the initial guess in the Bayesian sense, has become extinct by virtue of the principle. An approximate expression of the covariance matrix for the resultant spectra is also presented. An efficient algorithm to solve the nonlinear system, which appears in the present study, has been established. Results of computer simulation showed the effectiveness of the present theory. (author)

  3. Declining global warming effects on the phenology of spring leaf unfolding.

    Science.gov (United States)

    Fu, Yongshuo H; Zhao, Hongfang; Piao, Shilong; Peaucelle, Marc; Peng, Shushi; Zhou, Guiyun; Ciais, Philippe; Huang, Mengtian; Menzel, Annette; Peñuelas, Josep; Song, Yang; Vitasse, Yann; Zeng, Zhenzhong; Janssens, Ivan A

    2015-10-01

    Earlier spring leaf unfolding is a frequently observed response of plants to climate warming. Many deciduous tree species require chilling for dormancy release, and warming-related reductions in chilling may counteract the advance of leaf unfolding in response to warming. Empirical evidence for this, however, is limited to saplings or twigs in climate-controlled chambers. Using long-term in situ observations of leaf unfolding for seven dominant European tree species at 1,245 sites, here we show that the apparent response of leaf unfolding to climate warming (ST, expressed in days advance of leaf unfolding per °C warming) has significantly decreased from 1980 to 2013 in all monitored tree species. Averaged across all species and sites, ST decreased by 40% from 4.0 ± 1.8 days °C(-1) during 1980-1994 to 2.3 ± 1.6 days °C(-1) during 1999-2013. The declining ST was also simulated by chilling-based phenology models, albeit with a weaker decline (24-30%) than observed in situ. The reduction in ST is likely to be partly attributable to reduced chilling. Nonetheless, other mechanisms may also have a role, such as 'photoperiod limitation' mechanisms that may become ultimately limiting when leaf unfolding dates occur too early in the season. Our results provide empirical evidence for a declining ST, but also suggest that the predicted strong winter warming in the future may further reduce ST and therefore result in a slowdown in the advance of tree spring phenology.

  4. 3D COMSOL Simulations for Thermal Deflection of HFIR Fuel Plate in the "Cheverton-Kelley" Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Prashant K [ORNL; Freels, James D [ORNL; Cook, David Howard [ORNL

    2012-08-01

    Three dimensional simulation capabilities are currently being developed at Oak Ridge National Laboratory using COMSOL Multiphysics, a finite element modeling software, to investigate thermal expansion of High Flux Isotope Reactor (HFIR) s low enriched uranium fuel plates. To validate simulations, 3D models have also been developed for the experimental setup used by Cheverton and Kelley in 1968 to investigate the buckling and thermal deflections of HFIR s highly enriched uranium fuel plates. Results for several simulations are presented in this report, and comparisons with the experimental data are provided when data are available. A close agreement between the simulation results and experimental findings demonstrates that the COMSOL simulations are able to capture the thermal expansion physics accurately and that COMSOL could be deployed as a predictive tool for more advanced computations at realistic HFIR conditions to study temperature-induced fuel plate deflection behavior.

  5. Large-eddy simulations of mechanical and thermal processes within boundary layer of the Graciosa Island

    Science.gov (United States)

    Sever, G.; Collis, S. M.; Ghate, V. P.

    2017-12-01

    Three-dimensional numerical experiments are performed to explore the mechanical and thermal impacts of Graciosa Island on the sampling of oceanic airflow and cloud evolution. Ideal and real configurations of flow and terrain are planned using high-resolution, large-eddy resolving (e.g., Δ cold-pool formation upstream of an ideal two-kilometer island, with von Kármán like vortices propagation downstream. Although the peak height of Graciosa is less than half kilometer, the Azores island chain has a mountain over 2 km, which may be leading to more complex flow patterns when simulations are extended to a larger domain. Preliminary idealized low-resolution moist simulations indicate that the cloud field is impacted due to the presence of the island. Longer simulations that are performed to capture diurnal evolution of island boundary layer show distinct land/sea breeze formations under quiescent flow conditions. Further numerical experiments are planned to extend moist simulations to include realistic atmospheric profiles and observations of surface fluxes coupled with radiative effects. This work is intended to produce a useful simulation framework coupled with instruments to guide airborne and ground sampling strategies during the ACE-ENA field campaign which is aimed to better characterize marine boundary layer clouds.

  6. Atomistic simulations of void migration under thermal gradient in UO2

    International Nuclear Information System (INIS)

    Desai, Tapan G.; Millett, Paul; Tonks, Michael; Wolf, Dieter

    2010-01-01

    It is well known that within a few hours after startup of a nuclear reactor, the temperature gradient within a fuel element causes migration of voids/bubbles radially inwards to form a central hole. To understand the atomic processes that control this migration of voids, we performed molecular dynamics (MD) simulations on single crystal UO 2 with voids of diameter 2.2 nm. An external temperature gradient was applied across the simulation cell. At the end of the simulation run, it was observed that the voids had moved towards the hot end of the simulation cell. The void migration velocity obtained from the simulations was compared with the available phenomenological equations for void migration due to different transport mechanisms. Surface diffusion of the slowest moving specie, i.e. uranium, was found to be the dominant mechanism for void migration. The contribution from lattice diffusion and the thermal stress gradient to the void migration was analyzed and found to be negligible. By extrapolation, a crossover from the surface-diffusion-controlled mechanism to the lattice-diffusion-controlled mechanism was found to occur for voids with sizes in the μm range.

  7. Characterization of the thermal expansion properties of graphene using molecular dynamics simulations

    International Nuclear Information System (INIS)

    Zahabul Islam, M; Mahboob, Monon; Robert Lowe, L; Stephen Bechtel, E

    2013-01-01

    In the present study, the temperature-dependent coefficient of thermal expansion (CTE) of a graphene sheet (GS) is determined using molecular dynamics (MD) simulations. Our simulations show that the CTE of a GS (i) varies non-linearly with temperature, (ii) is negative over a temperature range of 0–500 K and (iii) differs by no more than 9% in the armchair and zigzag directions. We find good agreement between our MD results and recent experimental data. The present study also investigates the effect of missing atoms (vacancy defects) on the CTE of a GS. In our MD simulations of a 4.9 nm × 4.9 nm GS, we find that the presence of two vacant atoms (about 1.56% by volume) increases the negative CTE by as much as 40%. Correlations between the CTE and the number of missing atoms have been developed based on MD simulation results for a perfect GS and a GS with 1.56% defects by volume. Predictions of the CTE of a defective GS from the correlations compare favourably with MD simulations at 3.13% defects by volume. (paper)

  8. Follow 1.1 - a program for visualization of Thermal-Hydraulic computer simulations. User's manual

    International Nuclear Information System (INIS)

    Hyvarinen, J.

    1990-04-01

    FOLLOW is a computer program designed to function as an analyst's aid when performing large thermalhydraulic and related safety calculations using the well known simulation codes RELAP5, MELCOR, SMABRE and TRAB. The code is a by-product of the effort to improve the analysis capabilities of the Finnish Centre for Radiation and Nuclear Safety (STUK). FOLLOW's most important application is as an on-line 'window' into the progress of the simulation calculation. The thermal-hydraulic analyses related to nuclear safety routinely require very long calculation times. FOLLOW provides a possibility to follow the course of the simulation and thus make observations of the results already during the simulation. FOLLOW's various outputs have been designed to mimic those available at nuclear power plant operators' console. Thus FOLLOW can also be used much like a nuclear power plant simulator. This manual describes the usages, features and input requirements of FOLLOW version 1.1, including a sample problem input and various outputs. (orig.)

  9. Relativistic, Viscous, Radiation Hydrodynamic Simulations of Geometrically Thin Disks. I. Thermal and Other Instabilities

    Science.gov (United States)

    Fragile, P. Chris; Etheridge, Sarina M.; Anninos, Peter; Mishra, Bhupendra; Kluźniak, Włodek

    2018-04-01

    We present results from two-dimensional, general relativistic, viscous, radiation hydrodynamic numerical simulations of Shakura–Sunyaev thin disks accreting onto stellar-mass Schwarzschild black holes. We consider cases on both the gas- and radiation-pressure-dominated branches of the thermal equilibrium curve, with mass accretion rates spanning the range from \\dot{M}=0.01{L}Edd}/{c}2 to 10L Edd/c 2. The simulations directly test the stability of this standard disk model on the different branches. We find clear evidence of thermal instability for all radiation-pressure-dominated disks, resulting universally in the vertical collapse of the disks, which in some cases then settle onto the stable, gas-pressure-dominated branch. Although these results are consistent with decades-old theoretical predictions, they appear to be in conflict with available observational data from black hole X-ray binaries. We also find evidence for a radiation-pressure-driven instability that breaks the unstable disks up into alternating rings of high and low surface density on a timescale comparable to the thermal collapse. Since radiation is included self-consistently in the simulations, we are able to calculate light curves and power density spectra (PDS). For the most part, we measure radiative efficiencies (ratio of luminosity to mass accretion rate) close to 6%, as expected for a nonrotating black hole. The PDS appear as broken power laws, with a break typically around 100 Hz. There is no evidence of significant excess power at any frequencies, i.e., no quasi-periodic oscillations are observed.

  10. Guidelines for developing efficient thermal conduction and storage models within building energy simulations

    International Nuclear Information System (INIS)

    Hillary, Jason; Walsh, Ed; Shah, Amip; Zhou, Rongliang; Walsh, Pat

    2017-01-01

    Improving building energy efficiency is of paramount importance due to the large proportion of energy consumed by thermal operations. Consequently, simulating a building's environment has gained popularity for assessing thermal comfort and design. The extended timeframes and large physical scales involved necessitate compact modelling approaches. The accuracy of such simulations is of chief concern, yet there is little guidance offered on achieving accurate solutions whilst mitigating prohibitive computational costs. Therefore, the present study addresses this deficit by providing clear guidance on discretisation levels required for achieving accurate but computationally inexpensive models. This is achieved by comparing numerical models of varying discretisation levels to benchmark analytical solutions with prediction accuracy assessed and reported in terms of governing dimensionless parameters, Biot and Fourier numbers, to ensure generality of findings. Furthermore, spatial and temporal discretisation errors are separated and assessed independently. Contour plots are presented to intuitively determine the optimal discretisation levels and time-steps required to achieve accurate thermal response predictions. Simulations derived from these contour plots were tested against various building conditions with excellent agreement observed throughout. Additionally, various scenarios are highlighted where the classical single lumped capacitance model can be applied for Biot numbers much greater than 0.1 without reducing accuracy. - Highlights: • Addressing the problems of inadequate discretisation within building energy models. • Accuracy of numerical models assessed against analytical solutions. • Fourier and Biot numbers used to provide generality of results for any material. • Contour plots offer intuitive way to interpret results for manual discretisation. • Results show proposed technique promising for automation of discretisation process.

  11. 3D thermal modeling of TRISO fuel coupled with neutronic simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Jianwei [Los Alamos National Laboratory; Uddin, Rizwan [UNIV OF ILLINIOS

    2010-01-01

    The Very High Temperature Gas Reactor (VHTR) is widely considered as one of the top candidates identified in the Next Generation Nuclear Power-plant (NGNP) Technology Roadmap under the U.S . Depanment of Energy's Generation IV program. TRlSO particle is a common element among different VHTR designs and its performance is critical to the safety and reliability of the whole reactor. A TRISO particle experiences complex thermo-mechanical changes during reactor operation in high temperature and high burnup conditions. TRISO fuel performance analysis requires evaluation of these changes on micro scale. Since most of these changes are temperature dependent, 3D thermal modeling of TRISO fuel is a crucial step of the whole analysis package. In this paper, a 3D numerical thermal model was developed to calculate temperature distribution inside TRISO and pebble under different scenarios. 3D simulation is required because pebbles or TRISOs are always subjected to asymmetric thermal conditions since they are randomly packed together. The numerical model was developed using finite difference method and it was benchmarked against ID analytical results and also results reported from literature. Monte-Carlo models were set up to calculate radial power density profile. Complex convective boundary condition was applied on the pebble outer surface. Three reactors were simulated using this model to calculate temperature distribution under different power levels. Two asymmetric boundary conditions were applied to the pebble to test the 3D capabilities. A gas bubble was hypothesized inside the TRISO kernel and 3D simulation was also carried out under this scenario. Intuition-coherent results were obtained and reported in this paper.

  12. Advanced methodology to simulate boiling water reactor transient using coupled thermal-hydraulic/neutron-kinetic codes

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann, Christoph Oliver

    2016-06-13

    Coupled Thermal-hydraulic/Neutron-kinetic (TH/NK) simulations of Boiling Water Reactor transients require well validated and accurate simulation tools. The generation of cross-section (XS) libraries, depending on the individual thermal-hydraulic state parameters, is of paramount importance for coupled simulations. Problem-dependent XS-sets for 3D core simulations are being generated mainly by well validated, fast running commercial and user-friendly lattice codes such as CASMO and HELIOS. In this dissertation a computational route, based on the lattice code SCALE6/TRITON, the cross-section interface GenPMAXS, the best-estimate thermal-hydraulic system code TRACE and the core simulator PARCS, for best-estimate simulations of Boiling Water (BWR) transients has been developed and validated. The computational route has been supplemented by a subsequent uncertainty and sensitivity study based on Monte Carlo sampling and propagation of the uncertainties of input parameters to the output (SUSA code). The analysis of a single BWR fuel assembly depletion problem with PARCS using SCALE/TRITON cross-sections has been shown a good agreement with the results obtained with CASMO cross-section sets. However, to compensate the deficiencies of the interface program GenPMAXS, PYTHON scripts had to be developed to incorporate missing data, as the yields of Iodine, Xenon and Promethium, into the cross-section-data sets (PMAXS-format) generated by GenPMAXS from the SCALE/TRITON output. The results of the depletion analysis of a full BWR core with PARCS have indicated the importance of considering history effects, adequate modeling of the reflector region and the control rods, as the PARCS simulations for depleted fuel and all control rods inserted (ARI) differs significantly at the fuel assembly top and bottom. Systematic investigations with the coupled codes TRACE/PARCS have been performed to analyse the core behaviour at different thermal conditions using nuclear data (XS

  13. Simulation of thermal-hydraulic process in reactor of HTR-PM based on flow and heat transfer network

    International Nuclear Information System (INIS)

    Zhou Kefeng; Zhou Yangping; Sui Zhe; Ma Yuanle

    2012-01-01

    The development of HTR-PM full scale simulator (FSS) is an important part in the project. The simulation of thermal-hydraulic process in reactor is one of the key technologies in the development of FSS. The simulation of thermal-hydraulic process in reactor was studied. According to the geometry structures and the characteristics of thermal-hydraulic process in reactor, the model was setup in components construction way. Based on the established simulation method of flow and heat transfer network, a Fortran code was developed and the simulation of thermal-hydraulic process was achieved. The simulation results of 50% FP steady state, 100% FP steady state and control rod mistakenly ascension accidents were given. The verification of simulation results was carried out by comparing with the design and analysis code THERMIX. The results show that the method and model based on flow and heat transfer network can meet the requirements of FSS and reflect the features of thermal-hydraulic process in HTR-PM. (authors)

  14. Implementation of a cogenerative district heating: optimization of a simulation model for the thermal power demand

    Energy Technology Data Exchange (ETDEWEB)

    Barelli, L.; Bidini, G.; Pinchi, E.M. [Dipartimento di Ingegneria Industriale, Universita degli Studi di Perugia, Perugia (Italy)

    2006-07-01

    The district heating set up with a cogeneration system, concurs to attain energetic, economic and ambient benefits. It also provides to citizens a new service. The project strategy is based on the idea of supplying a portion of the necessary thermal power through a combustion alternative engine in cogeneration modality. It's also interesting to modulate the load with auxiliary boilers fed by natural gas. This solution allows to save primary energy, create a centralization of the energy production, which contributes to the problem of polluting emissions, through the decentralization of the sources. The first step to assess the technical-economic feasibility of a district heating system, based on a cogeneration plant, is to underline and to characterize the energetic request of the basin of user. The objective of the present work is to develop a model that yields an esteem of the hourly thermal load for every days of the heating season of a complex user, represented by a single neighbourhood. To do this, the present work proposes a new method of simulation of the daily and hourly thermal load trend, known only the value of the power installed in the thermal plant for every user, the seasonal hours of the burner operation and the timetable of the heating service distribution, more than the external mean daily temperature trend. The results obtained using this model, have been verified with the data of seasonal consumptions, confirming the validity of the proposed methodology.The above allows to determine, with more precision, the thermal request peak to satisfy, taking in consideration the contemporaneity of the loads, also of different typology, and to carry out a better sizing of the generation plant. (author)

  15. Simulation of classical thermal states on a quantum computer: A transfer-matrix approach

    International Nuclear Information System (INIS)

    Yung, Man-Hong; Nagaj, Daniel; Whitfield, James D.; Aspuru-Guzik, Alan

    2010-01-01

    We present a hybrid quantum-classical algorithm to simulate thermal states of classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by adding qubits one at a time. We identified a class of classical models for which our method is efficient and avoids potential exponential overheads encountered by Grover-like or quantum Metropolis schemes. Our algorithm also gives an exponential advantage for two-dimensional Ising models with magnetic field on a square lattice, compared with the previously known Zalka's algorithm.

  16. Computer simulation of nonstationary thermal fields in design and operation of northern oil and gas fields

    Energy Technology Data Exchange (ETDEWEB)

    Vaganova, N. A., E-mail: vna@imm.uran.ru [Institute of Mathematics and Mechanics of Ural Branch of Russian Academy of Sciences, Ekaterinburg (Russian Federation); Filimonov, M. Yu., E-mail: fmy@imm.uran.ru [Ural Federal University, Ekaterinburg, Russia and Institute of Mathematics and Mechanics of Ural Branch of Russian Academy of Sciences, Ekaterinburg (Russian Federation)

    2015-11-30

    A mathematical model, numerical algorithm and program code for simulation and long-term forecasting of changes in permafrost as a result of operation of a multiple well pad of northern oil and gas field are presented. In the model the most significant climatic and physical factors are taken into account such as solar radiation, determined by specific geographical location, heterogeneous structure of frozen soil, thermal stabilization of soil, possible insulation of the objects, seasonal fluctuations in air temperature, and freezing and thawing of the upper soil layer. Results of computing are presented.

  17. 3D simulation of the thermal and chemical plumes using open source software

    International Nuclear Information System (INIS)

    Saenz Temino, J. L.; Lerones Martin, J.; Gonzalez Delgado, J.

    2013-01-01

    The interaction of thermal and chemical plumes in the region of the Irish Sea near the site has been simulated using a finite element model representative of the local hydrodynamic regime, concluding how the method of selected cooling, open cycle, is physically and environmentally feasible. Furthermore, tunnel lengths required for each scenario under discussion have been preliminarily defined, varying in a range from 1800 to 2300 meters for a unit (1 tunnel), 4400-6300 meters of two units (2 tunnels) and 8000 meters to three units (2 tunnels), depending on the chosen technology.

  18. Ventilated buildings optimisation by using a coupled thermal-airflow simulation program

    DEFF Research Database (Denmark)

    Oropeza-Perez, Ivan; Østergaard, Poul Alberg; Remmen, Arne

    2011-01-01

    This work shows the optimization of natural ventilation within buildings at the stage of design and behaviour of the occupants. An evaluation is done by coupled multizone air modelling and thermal building simulation by using a deterministic set of input factors comprising among others climate......, local environment, building characteristics, building systems, behaviour of occupants, heat loads. Selected deterministic input factors were varied to generate additional information applied in an optimization loop. With that, it is found that the optimal solution depends to a great deal...

  19. Thermal structure of the ionosphere of Mars - simulations with one- and two-dimensional models

    International Nuclear Information System (INIS)

    Singhal, R.P.; Whitten, R.C.

    1988-01-01

    Heat flux saturation effects are included in the present one- and two-dimensional models of the Martian upper ionosphere's thermal structure. The inclusion of small upper boundary and volume heat sources is found to yield satisfactory simulations of the dayside ion temperature observation results obtained by Viking 1's retarding potential analyzers. It is noted that the plasma flow-transport of heat from the dayside to the nightside makes no contribution to the ion and electron temperatures that have been calculated for the nightside. 22 references

  20. Thermal-hydraulic behavior on break simulation of steam generator U-tube

    International Nuclear Information System (INIS)

    Seul, Kwang Won; Bang, Young Seok; Lee, Sukho; Kim, Hho Jung

    1995-01-01

    The thermal-hydraulic behavior depending on the break simulation in a steam generator U-tube was investigated and identified the code predictability on plant responses during SGTR accident. The calculated results were compared and assessed with LSTF SB-SG-06 test data. The RELAP5/MOD3.1 code well predicted the sequence of events and the significant phenomena, such as the asymmetric loop behavior, the RCS cooldown and heat transfer by the natural circulation, and system depressurization, even though there were some differences from the experimental data. The break flowrate was found to be sensitive to the break model and affected the system behavior

  1. Simulation and experiment on the thermal performance of U-vertical ground coupled heat exchanger

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xinguo; Chen, Zhihao; Zhao, Jun [Department of Thermal Engineering, School of Mechanical Engineering, Tianjin University, Tianjin 300072 (China)

    2006-10-15

    This paper presented both the numerical simulations and experiments on the thermal performance of U-vertical ground coupled heat exchanger (UGCHE). The variation of the ground temperature and heat balance of the system were analyzed and compared in different operation modes in the numerical simulation. Experiments on the operation performance of the ground-coupled heat pump (GCHP) with the UGCHE were carried out. It shows that the ground source can be used as the heat source/sink for GCHP systems to have higher efficiency in saving energy. To preserve the ground resource for the sustainable utilization as heat source/sink, the heat emitted to ground and heat extracted from ground should be balanced. (author)

  2. Calibration of mathematical models for simulation of thermal, seepage and mechanical behaviour of boom clay

    International Nuclear Information System (INIS)

    Baldi, G.; Borsetto, M.; Hueckel, T.

    1987-01-01

    This report presents results of research on the verification of the validity of a generalized thermo-elastoplastic-hydraulic mathematical model elaborated at Ismes for description of the behaviour of boom clay. The model is described in Section 2. Experimental results performed at Ismes for the identification of the material constants in athermal and thermal drained conditions are then presented. Procedures for the identification are described in Section 4. The undrained consolidated constant total stress heating test is then discussed. The undrained test shows the possibility of clay yielding due to effective pressure decrease during heating, caused by water pressure growth. The test has been simulated numerically, confirming the interpretation of the experiment. Further simulation of plane strain and plane stress central heating axisymmetric problem shows again a formation of a yielded clay zone around the heater. Interpretation of the results and recommendations for further research are given

  3. Randomized quasi-Monte Carlo simulation of fast-ion thermalization

    International Nuclear Information System (INIS)

    Höök, L J; Johnson, T; Hellsten, T

    2012-01-01

    This work investigates the applicability of the randomized quasi-Monte Carlo method for simulation of fast-ion thermalization processes in fusion plasmas, e.g. for simulation of neutral beam injection and radio frequency heating. In contrast to the standard Monte Carlo method, the quasi-Monte Carlo method uses deterministic numbers instead of pseudo-random numbers and has a statistical weak convergence close to O(N -1 ), where N is the number of markers. We have compared different quasi-Monte Carlo methods for a neutral beam injection scenario, which is solved by many realizations of the associated stochastic differential equation, discretized with the Euler-Maruyama scheme. The statistical convergence of the methods is measured for time steps up to 2 14 . (paper)

  4. Randomized quasi-Monte Carlo simulation of fast-ion thermalization

    Science.gov (United States)

    Höök, L. J.; Johnson, T.; Hellsten, T.

    2012-01-01

    This work investigates the applicability of the randomized quasi-Monte Carlo method for simulation of fast-ion thermalization processes in fusion plasmas, e.g. for simulation of neutral beam injection and radio frequency heating. In contrast to the standard Monte Carlo method, the quasi-Monte Carlo method uses deterministic numbers instead of pseudo-random numbers and has a statistical weak convergence close to {O}(N^{-1}) , where N is the number of markers. We have compared different quasi-Monte Carlo methods for a neutral beam injection scenario, which is solved by many realizations of the associated stochastic differential equation, discretized with the Euler-Maruyama scheme. The statistical convergence of the methods is measured for time steps up to 214.

  5. Numerical simulations of conjugate convection combined with surface thermal radiation using an Immersed-Boundary Method

    International Nuclear Information System (INIS)

    Favre, F.; Colomer, G.; Lehmkuhl, O.; Oliva, A.

    2016-01-01

    Dynamic and thermal interaction problems involving fluids and solids were studied through a finite volume-based Navier-Stokes solver, combined with immersed-boundary techniques and the net radiation method. Source terms were included in the momentum and energy equations to enforce the non-slip condition and the conjugate boundary condition including the radiative heat exchange. Code validation was performed through the simulation of two cases from the literature: conjugate natural convection in a square cavity with a conducting side wall; and a cubical cavity with conducting walls and a heat source. The accuracy of the methodology and the validation of the inclusion of moving bodies into the simulation was performed via a theoretical case (paper)

  6. ATTIRE (analytical tools for thermal infrared engineering): A sensor simulation and modeling package

    Science.gov (United States)

    Jaggi, S.

    1993-01-01

    The Advanced Sensor Development Laboratory (ASDL) at the Stennis Space Center develops, maintains and calibrates remote sensing instruments for the National Aeronautics & Space Administration (NASA). To perform system design trade-offs, analysis, and establish system parameters, ASDL has developed a software package for analytical simulation of sensor systems. This package called 'Analytical Tools for Thermal InfraRed Engineering' - ATTIRE, simulates the various components of a sensor system. The software allows each subsystem of the sensor to be analyzed independently for its performance. These performance parameters are then integrated to obtain system level information such as Signal-to-Noise Ratio (SNR), Noise Equivalent Radiance (NER), Noise Equivalent Temperature Difference (NETD) etc. This paper describes the uses of the package and the physics that were used to derive the performance parameters.

  7. Simulation of thermal reset transitions in resistive switching memories including quantum effects

    Energy Technology Data Exchange (ETDEWEB)

    Villena, M. A.; Jiménez-Molinos, F.; Roldán, J. B. [Departamento de Electrónica y Tecnología de Computadores, Universidad de Granada, Facultad de Ciencias, Avd. Fuentenueva s/n, 18071 Granada (Spain); González, M. B.; Campabadal, F. [Institut de Microelectrònica de Barcelona, IMB-CNM (CSIC), Campus UAB, 08193 Bellaterra (Spain); Suñé, J.; Miranda, E. [Departament d' Enginyeria Electrònica, Universitat Autònoma de Barcelona, Bellaterra Cerdanyola del Vallès 08193 (Spain); Romera, E. [Departamento de Física Atómica, Molecular y Nuclear and Instituto Carlos I de Física Teórica y Computacional, Universidad de Granada, Avd. Fuentenueva s/n, 18071 Granada (Spain)

    2014-06-07

    An in-depth study of reset processes in RRAMs (Resistive Random Access Memories) based on Ni/HfO{sub 2}/Si-n{sup +} structures has been performed. To do so, we have developed a physically based simulator where both ohmic and tunneling based conduction regimes are considered along with the thermal description of the devices. The devices under study have been successfully fabricated and measured. The experimental data are correctly reproduced with the simulator for devices with a single conductive filament as well as for devices including several conductive filaments. The contribution of each conduction regime has been explained as well as the operation regimes where these ohmic and tunneling conduction processes dominate.

  8. Thermal simulation for 35 kW powered prototype radio frequency quadrapole

    International Nuclear Information System (INIS)

    Kothari, Ashok; Ahuja, Rajeev; Safvan, C.P.; Kumar, Sugam

    2011-01-01

    As part of the accelerator augmentation program at IUAC, a high current injector (HCI) is being developed to inject highly charged ions into the superconducting LINAC. The HCI consists of a superconducting (High T c ) ECR source operated on a high voltage deck, producing the high currents of highly charged ions. The ion beams produced by the ECR (PKDELIS) source will be injected into a Radio Frequency Quadrupole accelerator (RFQ) and be accelerated to 180 keV/u. RF power of about 100 kW at 48.5 MHz will be fed to the RFQ during it's actual working. Most of the power fed is dissipated in the system as heat. So a continuous removal of this heat is necessary to maintain tuning parameters and normal running of the RFQ. The IUAC RFQ is a four rod cavity structure consisting of individual, demountable vanes on vane posts. All the components are made of copper except the high vacuum chamber. High vacuum chamber is made of stainless steel and electroplated with 100 microns copper on the inner surface. To take out the heat from the system cooling holes for water circulation are provided in the design of the vanes and vane posts, which together form cooling circuits. There are fourteen vanes in three different lengths and these are mounted on five vane posts. Water enters and exits from the vane posts base. From each post it enters into two or three circuits in parallel and exits into the next vane post and the flow combines again. In effect five cooling circuits are further divided into fourteen circuits. Thermal design of the system is analyzed and optimized using a computational fluid dynamics (CFD) software. The CFD software simultaneously solves the equations of mass, momentum and energy with the given structure, material, fluid and applied boundary conditions. An actual 3-dimensional model of the assembly was made using Solidworks modelling software. To save on simulation time, small holes and minor components were suppressed during analysis. The software used for

  9. Development of a hot water tank simulation program with improved prediction of thermal stratification in the tank

    DEFF Research Database (Denmark)

    Fan, Jianhua; Furbo, Simon; Yue, Hongqiang

    2015-01-01

    A simulation program SpiralSol was developed in previous investigations to calculate thermal performance of a solar domestic hot water (SDHW) system with a hot water tank with a built-in heat exchanger spiral [1]. The simulation program is improved in the paper in term of prediction of thermal...... stratification in the tank. The transient fluid flow and heat transfer in the hot water tank during cooling caused by standby heat loss are investigated by validated computational fluid dynamics (CFD) calculations. Detailed CFD investigations are carried out to determine the influence of thickness and material...... property of the tank wall on thermal stratification in the tank. It is elucidated how thermal stratification in the tank is influenced by the natural convection and how the heat loss from the tank sides will be distributed at different levels of the tank at different thermal conditions. The existing...

  10. Empirical Validation of Heat Transfer Performance Simulation of Graphite/PCM Concrete Materials for Thermally Activated Building System

    Directory of Open Access Journals (Sweden)

    Jin-Hee Song

    2017-01-01

    Full Text Available To increase the heat capacity in lightweight construction materials, a phase change material (PCM can be introduced to building elements. A thermally activated building system (TABS with graphite/PCM concrete hollow core slab is suggested as an energy-efficient technology to shift and reduce the peak thermal load in buildings. An evaluation of heat storage and dissipation characteristics of TABS in graphite/PCM concrete has been conducted using dynamic simulations, but empirical validation is necessary to acceptably predict the thermal behavior of graphite/PCM concrete. This study aimed to validate the thermal behavior of graphite/PCM concrete through a three-dimensional transient heat transfer simulation. The simulation results were compared to experimental results from previous studies of concrete and graphite/PCM concrete. The overall thermal behavior for both materials was found to be similar to experiment results. Limitations in the simulation modeling, which included determination of the indoor heat transfer coefficient, assumption of constant thermal conductivity with temperature, and assumption of specimen homogeneity, led to slight differences between the measured and simulated results.

  11. Challenges in coupled thermal-hydraulics and neutronics simulations for LWR safety analysis

    International Nuclear Information System (INIS)

    Ivanov, Kostadin; Avramova, Maria

    2007-01-01

    The simulation of nuclear power plant accident conditions requires three-dimensional (3D) modeling of the reactor core to ensure a realistic description of physical phenomena. The operational flexibility of Light Water Reactor (LWR) plants can be improved by utilizing accurate 3D coupled neutronics/thermal-hydraulics calculations for safety margins evaluations. There are certain requirements to the coupling of thermal-hydraulic system codes and neutron-kinetics codes that ought to be considered. The objective of these requirements is to provide accurate solutions in a reasonable amount of CPU time in coupled simulations of detailed operational transient and accident scenarios. These requirements are met by the development and implementation of six basic components of the coupling methodologies: ways of coupling (internal or external coupling); coupling approach (integration algorithm or parallel processing); spatial mesh overlays; coupled time-step algorithms; coupling numerics (explicit, semi-implicit and implicit schemes); and coupled convergence schemes. These principles of the coupled simulations are discussed in details along with the scientific issues associated with the development of appropriate neutron cross-section libraries for coupled code transient modeling. The current trends in LWR nuclear power generation and regulation as well as the design of next generation LWR reactor concepts along with the continuing computer technology progress stimulate further development of these coupled code systems. These efforts have been focused towards extending the analysis capabilities as well as refining the scale and level of detail of the coupling. This article analyses the coupled phenomena and modeling challenges on both global (assembly-wise) and local (pin-wise) levels. The issues related to the consistent qualification of coupled code systems as well as their application to different types of LWR transients are presented. Finally, the advances in numerical

  12. Mathematical modelling and simulation of the thermal performance of a solar heated indoor swimming pool

    Directory of Open Access Journals (Sweden)

    Mančić Marko V.

    2014-01-01

    Full Text Available Buildings with indoor swimming pools have a large energy footprint. The source of major energy loss is the swimming pool hall where air humidity is increased by evaporation from the pool water surface. This increases energy consumption for heating and ventilation of the pool hall, fresh water supply loss and heat demand for pool water heating. In this paper, a mathematical model of the swimming pool was made to assess energy demands of an indoor swimming pool building. The mathematical model of the swimming pool is used with the created multi-zone building model in TRNSYS software to determine pool hall energy demand and pool losses. Energy loss for pool water and pool hall heating and ventilation are analyzed for different target pool water and air temperatures. The simulation showed that pool water heating accounts for around 22%, whereas heating and ventilation of the pool hall for around 60% of the total pool hall heat demand. With a change of preset controller air and water temperatures in simulations, evaporation loss was in the range 46-54% of the total pool losses. A solar thermal sanitary hot water system was modelled and simulated to analyze it's potential for energy savings of the presented demand side model. The simulation showed that up to 87% of water heating demands could be met by the solar thermal system, while avoiding stagnation. [Projekat Ministarstva nauke Republike Srbije, br. III 42006: Research and development of energy and environmentally highly effective polygeneration systems based on using renewable energy sources

  13. The effects of nuclear data library processing on Geant4 and MCNP simulations of the thermal neutron scattering law

    Science.gov (United States)

    Hartling, K.; Ciungu, B.; Li, G.; Bentoumi, G.; Sur, B.

    2018-05-01

    Monte Carlo codes such as MCNP and Geant4 rely on a combination of physics models and evaluated nuclear data files (ENDF) to simulate the transport of neutrons through various materials and geometries. The grid representation used to represent the final-state scattering energies and angles associated with neutron scattering interactions can significantly affect the predictions of these codes. In particular, the default thermal scattering libraries used by MCNP6.1 and Geant4.10.3 do not accurately reproduce the ENDF/B-VII.1 model in simulations of the double-differential cross section for thermal neutrons interacting with hydrogen nuclei in a thin layer of water. However, agreement between model and simulation can be achieved within the statistical error by re-processing ENDF/B-VII.I thermal scattering libraries with the NJOY code. The structure of the thermal scattering libraries and sampling algorithms in MCNP and Geant4 are also reviewed.

  14. COMPUTER SIMULATION OF THE THERMAL TESTING PROCESS FOR STUDENTS OF «NONDESTRUCTIVE TESTING AND TECHNICAL DIAGNOSTICS» SPECIALITY

    Directory of Open Access Journals (Sweden)

    Anatolii H. Protasov

    2010-08-01

    Full Text Available This paper is devoted to the computer simulation method of thermal nondestructive testing procedure. FEMLAB is interactive software package and used for simulation. It allows forming a model of physical objects with given parameters and properties. A proposed method helps students to understand better the processes happen in solid under the action of temperature.

  15. Modeling a Naturally Ventilated Double Skin Façade with a Building Thermal Simulation Program

    DEFF Research Database (Denmark)

    Jensen, Rasmus Lund; Kalyanova, Olena; Heiselberg, Per

    2008-01-01

    to predict. This is manly due to the very transient and complex air flow in the naturally ventilated double skin façade cavity. In this paper the modelling of the DSF using a thermal simulation program, BSim, is discussed. The simulations are based on the measured weather boundary conditions...

  16. Equilibrium Molecular Dynamics (MD Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials

    Directory of Open Access Journals (Sweden)

    Asir Intisar Khan

    2015-12-01

    Full Text Available The thermal conductivity of graphene nanoribbons (GNRs has been investigated using equilibrium molecular dynamics (EMD simulation based on Green-Kubo (GK method to compare two interatomic potentials namely optimized Tersoff and 2nd generation Reactive Empirical Bond Order (REBO. Our comparative study includes the estimation of thermal conductivity as a function of temperature, length and width of GNR for both the potentials. The thermal conductivity of graphene nanoribbon decreases with the increase of temperature. Quantum correction has been introduced for thermal conductivity as a function of temperature to include quantum effect below Debye temperature. Our results show that for temperatures up to Debye temperature, thermal conductivity increases, attains its peak and then falls off monotonically. Thermal conductivity is found to decrease with the increasing length for optimized Tersoff potential. However, thermal conductivity has been reported to increase with length using 2nd generation REBO potential for the GNRs of same size. Thermal conductivity, for the specified range of width, demonstrates an increasing trend with the increase of width for both the concerned potentials. In comparison with 2nd generation REBO potential, optimized Tersoff potential demonstrates a better modeling of thermal conductivity as well as provides a more appropriate description of phonon thermal transport in graphene nanoribbon. Such comparative study would provide a good insight for the optimization of the thermal conductivity of graphene nanoribbons under diverse conditions.

  17. Streamline three-dimensional thermal model of a lithium titanate pouch cell battery in extreme temperature conditions with module simulation

    Science.gov (United States)

    Jaguemont, Joris; Omar, Noshin; Martel, François; Van den Bossche, Peter; Van Mierlo, Joeri

    2017-11-01

    In this paper, the development of a three-dimensional (3D) lithium titanium oxide (LTO) pouch cell is presented to first better comprehend its thermal behavior within electrified vehicle applications, but also to propose a strong modeling base for future thermal management system. Current 3D-thermal models are based on electrochemical reactions which are in need for elaborated meshing effort and long computational time. There lacks a fast electro-thermal model which can capture voltage, current and thermal distribution variation during the whole process. The proposed thermal model is a reduce-effort temperature simulation approach involving a 0D-electrical model accommodating a 3D-thermal model to exclude electrochemical processes. The thermal model is based on heat-transfer theory and its temperature distribution prediction incorporates internal conduction and heat generation effect as well as convection. In addition, experimental tests are conducted to validate the model. Results show that both the heat dissipation rate and surface temperature uniformity data are in agreement with simulation results, which satisfies the application requirements for electrified vehicles. Additionally, a LTO battery pack sizing and modeling is also designed, applied and displays a non-uniformity of the cells under driving operation. Ultimately, the model will serve as a basis for the future development of a thermal strategy for LTO cells that operate in a large temperature range, which is a strong contribution to the existing body of scientific literature.

  18. Atomistic simulation of the thermal conductivity in amorphous SiO2 matrix/Ge nanocrystal composites

    Science.gov (United States)

    Kuryliuk, Vasyl V.; Korotchenkov, Oleg A.

    2017-04-01

    We use nonequilibrium molecular dynamics computer simulations with the Tersoff potential aiming to provide a comprehensive picture of the thermal conductivity of amorphous SiO2 (a-SiO2) matrix with embedded Ge nanocrystals (nc-Ge). The modelling predicts the a-SiO2 matrix thermal conductivity in a temperature range of 50 fair agreement with experiment at around room temperature. It is worth noticing that the predicted room-temperature thermal conductivity in a-SiO2 is in very good agreement with the experimental result, which is in marked contrast with the thermal conductivity calculated employing the widely used van Beest-Kramer-van Santen (BKS) potential. We show that the thermal conductivity of composite nc-Ge/a-SiO2 systems decreases steadily with increasing the volume fraction of Ge inclusions, indicative of enhanced interface scattering of phonons imposed by embedded Ge nanocrystals. We also observe that increasing the volume fractions above a certain threshold value results in a progressively increased thermal conductivity of the nanocomposite, which can be explained by increasing volume fraction of a better thermally conducting Ge. Finally, non-equilibrium molecular dynamics simulations with the Tersoff potential are promising for computing the thermal conductivity of nanocomposites based on amorphous SiO2 and can be readily scaled to more complex composite structures with embedded nanoparticles, which thus help design nanocomposites with desired thermal properties.

  19. Simulation of ballistic and non-Fourier thermal transport in ultra-fast laser heating

    International Nuclear Information System (INIS)

    Xu Jun; Wang Xinwei

    2004-01-01

    In this work, the lattice Boltzmann method (LBM) is developed to simulate pico- and femtosecond laser heating of silicon. The temperature fields calculated by the LBM are compared with those obtained from the parabolic heat conduction equation (PHCE) and the hyperbolic heat conduction equation (HHCE). Although the HHCE overcomes the dilemma of infinite thermal propagation speed of the PHCE, it cannot be applied to length scales comparable to the mean free path of energy carriers because of the breakdown of continuum approaches under severe nonequilibrium conditions. The LBM, considering both effects, can be used in both short temporal and spatial scales. From the results of the LBM, it is found that the speed of thermal wave at the ballistic limit is equal to the speed of sound, instead of the value predicted by the HHCE, which is valid only in the diffuse limit. It is also demonstrated that the traditional way of calculating heat flux using the temperature gradient gives rise to physically unreasonable results at the thermal wave front, while the LBM has no such drawback

  20. MHD SIMULATIONS OF CORONAL SUPRA-ARCADE DOWNFLOWS INCLUDING ANISOTROPIC THERMAL CONDUCTION

    International Nuclear Information System (INIS)

    Zurbriggen, E.; Costa, A.; Schneiter, M.; Cécere, M.; Esquivel, A.

    2016-01-01

    Coronal supra-arcade downflows (SADs) are observed as dark trails descending toward hot turbulent-fan-shaped regions. Due to the large temperature values and gradients in these fan regions, the thermal conduction (TC) should be very efficient. While several models have been proposed to explain the triggering and the evolution of SADs, none of these scenarios address a systematic consideration of TC. Thus, we accomplish this task numerically simulating the evolution of SADs within this framework. That is, SADs are conceived as voided (subdense) cavities formed by nonlinear waves triggered by downflowing bursty localized reconnection events in a perturbed hot fan. We generate a properly turbulent fan, obtained by a stirring force that permits control of the energy and vorticity input in the medium where SADs develop. We include anisotropic TC and consider plasma properties consistent with observations. Our aim is to study whether it is possible to prevent SADs from vanishing by thermal diffusion. We find that this will be the case, depending on the turbulence parameters, in particular if the magnetic field lines are able to envelope the voided cavities, thermally isolating them from the hot environment. Velocity shear perturbations that are able to generate instabilities of the Kelvin–Helmholtz type help to produce magnetic islands, extending the lifetime of SADs.

  1. Numerical simulation of diurnally varying thermal environment in a street canyon under haze-fog conditions

    Science.gov (United States)

    Tan, Zijing; Dong, Jingliang; Xiao, Yimin; Tu, Jiyuan

    2015-10-01

    The impact of haze-fog on surface temperature, flow pattern, pollutant dispersion and pedestrian thermal comfort are investigated using computational fluid dynamics (CFD) approach based on a three-dimensional street canyon model under different haze-fog conditions. In this study, light extinction coefficient (Kex) is adopted to represent haze-fog pollution level. Numerical simulations are performed for different Kex values at four representative time events (1000 LST, 1300 LST, 1600 LST and 2000 LST). The numerical results suggest that the surface temperature is strongly affected by the haze-fog condition. Surface heating induced by the solar radiation is enhanced by haze-fog, as higher surface temperature is observed under thicker haze-fog condition. Moreover, the temperature difference between sunlit and shadow surfaces is reduced, while that for the two shadow surfaces is slightly increased. Therefore, the surface temperature among street canyon facets becomes more evenly distributed under heavy haze-fog conditions. In addition, flow patterns are considerably altered by different haze-fog conditions, especially for the afternoon (1600 LST) case, in which thermal-driven flow has opposite direction as that of the wind-driven flow direction. Consequently, pollutants such as vehicular emissions will accumulate at pedestrian level, and pedestrian thermal comfort may lower under thicker haze-fog condition.

  2. Demand Shifting With Thermal Mass in Large Commercial Buildings:Field Tests, Simulation and Audits

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Peng; Haves, Philip; Piette, Mary Ann; Zagreus, Leah

    2005-09-01

    The principle of pre-cooling and demand limiting is to pre-cool buildings at night or in the morning during off-peak hours, storing cooling in the building thermal mass and thereby reducing cooling loads and reducing or shedding related electrical demand during the peak periods. Cost savings are achieved by reducing on-peak energy and demand charges. The potential for utilizing building thermal mass for load shifting and peak demand reduction has been demonstrated in a number of simulation, laboratory, and field studies (Braun 1990, Ruud et al. 1990, Conniff 1991, Andresen and Brandemuehl 1992, Mahajan et al. 1993, Morris et al. 1994, Keeney and Braun 1997, Becker and Paciuk 2002, Xu et al. 2003). This technology appears to have significant potential for demand reduction if applied within an overall demand response program. The primary goal associated with this research is to develop information and tools necessary to assess the viability of and, where appropriate, implement demand response programs involving building thermal mass in buildings throughout California. The project involves evaluating the technology readiness, overall demand reduction potential, and customer acceptance for different classes of buildings. This information can be used along with estimates of the impact of the strategies on energy use to design appropriate incentives for customers.

  3. Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation.

    Science.gov (United States)

    Yang, Lina; Minnich, Austin J

    2017-03-14

    Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials.

  4. Numerical simulations of subcritical reactor kinetics in thermal hydraulic transient phases

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, J; Park, W S [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1999-12-31

    A subcritical reactor driven by a linear proton accelerator has been considered as a nuclear waste incinerator at Korea Atomic Energy Research Institute (KAERI). Since the multiplication factor of a subcritical reactor is less than unity, to compensate exponentially decreasing fission neutrons, external neutrons form spallation reactions are essentially required for operating the reactor in its steady state. Furthermore, the profile of accelerator beam currents is very important in controlling a subcritical reactor, because the reactor power varies in accordance to the profile of external neutrons. We have developed a code system to find numerical solutions of reactor kinetics equations, which are the simplest dynamic model for controlling reactors. In a due course of our previous numerical study of point kinetics equations for critical reactors, however, we learned that the same code system can be used in studying dynamic behavior of the subcritical reactor. Our major motivation of this paper is to investigate responses of subcritical reactors for small changes in thermal hydraulic parameters. Building a thermal hydraulic model for the subcritical reactor dynamics, we performed numerical simulations for dynamic responses of the reactor based on point kinetics equations with a source term. Linearizing a set of coupled differential equations for reactor responses, we focus our research interest on dynamic responses of the reactor to variations of the thermal hydraulic parameters in transient phases. 5 refs., 8 figs. (Author)

  5. ADVANCED COMPUTATIONALMETHODS FOR COMPLEX SIMULATION OF THERMAL PROCESSES IN POWER ENGINEERING

    Directory of Open Access Journals (Sweden)

    Risto V. Filkoski

    2007-04-01

    Full Text Available The overall frame and principal steps of complex numerical modelling of thermal processes in power boiler furnaces on pulverised coal with tangential disposition of the burners are presented in the paper. Computational fluid dynamics (CFD technique is used as a tool to perform comprehensive thermal analysis in two test cases. The methodology for creation of three-dimensional models of boiler furnaces is briefly described. Standard steady k- model is employed for description of the turbulent flow. The coupling of continuity and momentum is achieved by the SIMPLEC method. Coal combustion is modelled by the mixture fraction/probability density function approach for the reaction chemistry, with equilibrium assumption applied for description of the system chemistry. Thermal radiation is computed by means of the simplified P-N model, based on expansion of the radiation intensity into an orthogonal series of spherical harmonics.Comparison between the simulation predictions and available site measurements leads to a conclusion that the model produces realistic insight into the furnace processes. Qualitative agreement of the results indicates reasonability of the calculations and validates the employed sub-models. The described test cases and other experiences with CFD modelling stress the advantages over a purely field data study, such as the ability to quickly and cheaply analyse a variety of design options without actually modifying the object and the availability of significantly more data to interpret the results.

  6. Numerical simulations of subcritical reactor kinetics in thermal hydraulic transient phases

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, J.; Park, W. S. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1998-12-31

    A subcritical reactor driven by a linear proton accelerator has been considered as a nuclear waste incinerator at Korea Atomic Energy Research Institute (KAERI). Since the multiplication factor of a subcritical reactor is less than unity, to compensate exponentially decreasing fission neutrons, external neutrons form spallation reactions are essentially required for operating the reactor in its steady state. Furthermore, the profile of accelerator beam currents is very important in controlling a subcritical reactor, because the reactor power varies in accordance to the profile of external neutrons. We have developed a code system to find numerical solutions of reactor kinetics equations, which are the simplest dynamic model for controlling reactors. In a due course of our previous numerical study of point kinetics equations for critical reactors, however, we learned that the same code system can be used in studying dynamic behavior of the subcritical reactor. Our major motivation of this paper is to investigate responses of subcritical reactors for small changes in thermal hydraulic parameters. Building a thermal hydraulic model for the subcritical reactor dynamics, we performed numerical simulations for dynamic responses of the reactor based on point kinetics equations with a source term. Linearizing a set of coupled differential equations for reactor responses, we focus our research interest on dynamic responses of the reactor to variations of the thermal hydraulic parameters in transient phases. 5 refs., 8 figs. (Author)

  7. Hydraulic and thermal conduction phenomena in soils at the particle-scale: Towards realistic FEM simulations

    International Nuclear Information System (INIS)

    Narsilio, G A; Yun, T S; Kress, J; Evans, T M

    2010-01-01

    This paper summarizes a method to characterize conduction properties in soils at the particle-scale. The method set the bases for an alternative way to estimate conduction parameters such as thermal conductivity and hydraulic conductivity, with the potential application to hard-to-obtain samples, where traditional experimental testing on large enough specimens becomes much more expensive. The technique is exemplified using 3D synthetic grain packings generated with discrete element methods, from which 3D granular images are constructed. Images are then imported into the finite element analyses to solve the corresponding governing partial differential equations of hydraulic and thermal conduction. High performance computing is implemented to meet the demanding 3D numerical calculations of the complex geometrical domains. The effects of void ratio and inter-particle contacts in hydraulic and thermal conduction are explored. Laboratory measurements support the numerically obtained results and validate the viability of the new methods used herein. The integration of imaging with rigorous numerical simulations at the pore-scale also enables fundamental observation of particle-scale mechanisms of macro-scale manifestation.

  8. MHD SIMULATIONS OF CORONAL SUPRA-ARCADE DOWNFLOWS INCLUDING ANISOTROPIC THERMAL CONDUCTION

    Energy Technology Data Exchange (ETDEWEB)

    Zurbriggen, E.; Costa, A.; Schneiter, M.; Cécere, M. [Instituto de Investigaciones en Astronomía Teórica y Experimental (IATE), Córdoba (Argentina); Esquivel, A., E-mail: ezurbriggen@unc.edu.ar, E-mail: acosta@unc.edu.ar [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México (Mexico)

    2016-11-20

    Coronal supra-arcade downflows (SADs) are observed as dark trails descending toward hot turbulent-fan-shaped regions. Due to the large temperature values and gradients in these fan regions, the thermal conduction (TC) should be very efficient. While several models have been proposed to explain the triggering and the evolution of SADs, none of these scenarios address a systematic consideration of TC. Thus, we accomplish this task numerically simulating the evolution of SADs within this framework. That is, SADs are conceived as voided (subdense) cavities formed by nonlinear waves triggered by downflowing bursty localized reconnection events in a perturbed hot fan. We generate a properly turbulent fan, obtained by a stirring force that permits control of the energy and vorticity input in the medium where SADs develop. We include anisotropic TC and consider plasma properties consistent with observations. Our aim is to study whether it is possible to prevent SADs from vanishing by thermal diffusion. We find that this will be the case, depending on the turbulence parameters, in particular if the magnetic field lines are able to envelope the voided cavities, thermally isolating them from the hot environment. Velocity shear perturbations that are able to generate instabilities of the Kelvin–Helmholtz type help to produce magnetic islands, extending the lifetime of SADs.

  9. The Role of E27-K31 and E56-K10 Salt-Bridge Pairs in the Unfolding Mechanism of the B1 Domain of Protein G

    Directory of Open Access Journals (Sweden)

    Tony Ibnu Sumaryada

    2018-02-01

    Full Text Available Molecular dynamics simulations of the B1 fragment of protein G (56 residues have been performed at 325, 350, 375, 400, 450 and 500 K for 10 ns. An analysis of its structural and energetic parameters has indicated that the unfolding process of the GB1 protein begins at 900 ps of a 500-K simulation. The unfolding process is initiated when hydrogen bonds in the hydrophobic core region are broken; it continues with the α-helix transformation into coils and turns and ends with the destruction of the β-hairpins. These unfolding events are consistent with the hybrid model of the protein folding/unfolding mechanism, which is a compromise between the hydrophobic core collapse model and the zipper model. Salt-bridge pairs were found to play an important role in the unfolding process by maintaining the integrity of the tertiary structure of the protein. The breaking (or disappearance of the salt-bridge pairs E27–K31 (in the α-helix and E56–K10 (connecting β4 and β1 has resulted in the destruction of secondary structures and indicates the beginning of the unfolding process. Our results also suggest that the unfolding process in this simulation was not a complete denaturation of the protein because some β-hairpins remained

  10. Simulation of Thermal Processes in Metamaterial MM-to-IR Converter for MM-wave Imager

    International Nuclear Information System (INIS)

    Zagubisalo, Peter S; Paulish, Andrey G; Kuznetsov, Sergey A

    2014-01-01

    The main characteristics of MM-wave image detector were simulated by means of accurate numerical modelling of thermophysical processes in a metamaterial MM-to-IR converter. The converter represents a multilayer structure consisting of an ultra thin resonant metamaterial absorber and a perfect emissive layer. The absorber consists of a dielectric self-supporting film that is metallized from both sides. A micro-pattern is fabricated from one side. Resonant absorption of the MM waves induces the converter heating that yields enhancement of IR emission from the emissive layer. IR emission is detected by IR camera. In this contribution an accurate numerical model for simulation of the thermal processes in the converter structure was created by using COMSOL Multiphysics software. The simulation results are in a good agreement with experimental results that validates the model. The simulation shows that the real time operation is provided for the converter thickness less than 3 micrometers and time response can be improved by decreasing of the converter thickness. The energy conversion efficiency of MM waves into IR radiation is over 80%. The converter temperature increase is a linear function of a MM-wave radiation power within three orders of the dynamic range. The blooming effect and ways of its reducing are also discussed. The model allows us to choose the ways of converter structure optimization and improvement of image detector parameters

  11. Simulation of regimes of convection and plume dynamics by the thermal Lattice Boltzmann Method

    Science.gov (United States)

    Mora, Peter; Yuen, David A.

    2018-02-01

    We present 2D simulations using the Lattice Boltzmann Method (LBM) of a fluid in a rectangular box being heated from below, and cooled from above. We observe plumes, hot narrow upwellings from the base, and down-going cold chutes from the top. We have varied both the Rayleigh numbers and the Prandtl numbers respectively from Ra = 1000 to Ra =1010 , and Pr = 1 through Pr = 5 ×104 , leading to Rayleigh-Bénard convection cells at low Rayleigh numbers through to vigorous convection and unstable plumes with pronounced vortices and eddies at high Rayleigh numbers. We conduct simulations with high Prandtl numbers up to Pr = 50, 000 to simulate in the inertial regime. We find for cases when Pr ⩾ 100 that we obtain a series of narrow plumes of upwelling fluid with mushroom heads and chutes of downwelling fluid. We also present simulations at a Prandtl number of 0.7 for Rayleigh numbers varying from Ra =104 through Ra =107.5 . We demonstrate that the Nusselt number follows power law scaling of form Nu ∼Raγ where γ = 0.279 ± 0.002 , which is consistent with published results of γ = 0.281 in the literature. These results show that the LBM is capable of reproducing results obtained with classical macroscopic methods such as spectral methods, and demonstrate the great potential of the LBM for studying thermal convection and plume dynamics relevant to geodynamics.

  12. Impact of Thermal Plumes Generated by Occupant Simulators with Different Complexity of Body Geometry on Airflow Pattern in Rooms

    DEFF Research Database (Denmark)

    Zukowska, Daria; Melikov, Arsen Krikor; Popiolek, Zbigniew

    2008-01-01

    The impact of thermal plumes generated by human body simulators with different geometry on the airflow pattern in a full scale room with displacement ventilation (supply air temperature 21.6°C, total flow rate 80 L/s) was studied when two seated occupants were simulated first by two thermal...... manikins resembling accurately human body shape and then by two heated cylinders. The manikins and the cylinders had the same surface area of 1.63 m2 and the same heat generation of 73 W. CO2 supplied from the top of the heat sources was used for simulating bio-effluents. CO2 concentration was measured...

  13. Numerical simulation of the thermal hydraulic performance of a plate pin fin heat sink

    International Nuclear Information System (INIS)

    Yuan Wuhan; Zhao Jiyun; Tso, C.P.; Wu Tianhua; Liu Wei; Ming Tingzhen

    2012-01-01

    The computational fluid dynamic software FLUENT is used in assessing the electronics cooling potential of a plate pin fin heat sink (PPFHS), including the conjugate effect. The simulation results are validated with reported experimental data. The simulation shows that pin height and air velocity have significant influences on the thermal hydraulic performances of PPFHS while the influences of in-line/staggered array and neighbor pin flow-directional center distance (NPFDCD) of the PPFHS are less notable. In applying the present design to the cooling of a desktop PC CPU at a heat flux of 2.20 W/cm 2 , the temperature can be kept at less than 358 K with an air velocity over 6.5 m/s. - Highlights: ► Pin height and air velocity significantly influence thermal performance of PPFHS. ► Less influence by in-line or staggered array. ► Less influence by neighbor pin flow-directional center distance. ► Design with >6.5 m/s air can cool to 2 flux.

  14. Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

    Science.gov (United States)

    Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

    2012-01-01

    Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

  15. Review of turbulence modelling for numerical simulation of nuclear reactor thermal-hydraulics

    International Nuclear Information System (INIS)

    Bernard, J.P.; Haapalehto, T.

    1996-01-01

    The report deals with the modelling of turbulent flows in nuclear reactor thermal-hydraulic applications. The goal is to give tools and knowledge about turbulent flows and their modelling in practical applications for engineers, and especially nuclear engineers. The emphasize is on the theory of turbulence, the existing different turbulence models, the state-of-art of turbulence in research centres, the available models in the commercial code CFD-FLOW3D, and the latest applications of turbulence modelling in nuclear reactor thermal-hydraulics. It turns out that it is difficult to elaborate an universal turbulence model and each model has its advantages and drawbacks in each application. However, the increasing power of computers can permit the emergence of new methods of turbulence modelling such as Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) which open new horizons in this field. These latter methods are beginning to be available in commercial codes and are used in different nuclear applications such as 3-D modelling of the nuclear reactor cores and the steam generators. (orig.) (22 refs.)

  16. Monte Carlo simulations of the pulsed thermal neutron flux in two-region hydrogenous systems (using standard MCNP data libraries)

    International Nuclear Information System (INIS)

    Wiacek, U.; Krynicka, E.

    2005-02-01

    Monte Carlo simulations of the pulsed neutron experiment in two- region systems (two concentric spheres and two coaxial finite cylinders) are presented. The MCNP code is used. Aqueous solutions of H 3 BO 3 or KCl are used in the inner region. The outer region is the moderator of Plexiglas. Standard data libraries of the thermal neutron scattering cross-sections of hydrogen in hydrogenous substances are used. The time-dependent thermal neutron transport is simulated when the inner region has a constant size and the external size of the surrounding outer region is variable. The time decay constant of the thermal neutron flux in the system is found in each simulation. The results of the simulations are compared with results of real pulsed neutron experiments on the corresponding systems. (author)

  17. Design process for applying the nonlocal thermal transport iSNB model to a Polar-Drive ICF simulation

    Science.gov (United States)

    Cao, Duc; Moses, Gregory; Delettrez, Jacques; Collins, Timothy

    2014-10-01

    A design process is presented for the nonlocal thermal transport iSNB (implicit Schurtz, Nicolai, and Busquet) model to provide reliable nonlocal thermal transport in polar-drive ICF simulations. Results from the iSNB model are known to be sensitive to changes in the SNB ``mean free path'' formula, and the latter's original form required modification to obtain realistic preheat levels. In the presented design process, SNB mean free paths are first modified until the model can match temperatures from Goncharov's thermal transport model in 1D temperature relaxation simulations. Afterwards the same mean free paths are tested in a 1D polar-drive surrogate simulation to match adiabats from Goncharov's model. After passing the two previous steps, the model can then be run in a full 2D polar-drive simulation. This research is supported by the University of Rochester Laboratory for Laser Energetics.

  18. Numerical Simulation of Thermal Performance of Glass-Fibre-Reinforced Polymer

    Science.gov (United States)

    Zhao, Yuchao; Jiang, Xu; Zhang, Qilin; Wang, Qi

    2017-10-01

    Glass-Fibre-Reinforced Polymer (GFRP), as a developing construction material, has a rapidly increasing application in civil engineering especially bridge engineering area these years, mainly used as decorating materials and reinforcing bars for now. Compared with traditional construction material, these kinds of composite material have obvious advantages such as high strength, low density, resistance to corrosion and ease of processing. There are different processing methods to form members, such as pultrusion and resin transfer moulding (RTM) methods, which process into desired shape directly through raw material; meanwhile, GFRP, as a polymer composite, possesses several particular physical and mechanical properties, and the thermal property is one of them. The matrix material, polymer, performs special after heated and endue these composite material a potential hot processing property, but also a poor fire resistance. This paper focuses on thermal performance of GFRP as panels and corresponding researches are conducted. First, dynamic thermomechanical analysis (DMA) experiment is conducted to obtain the glass transition temperature (Tg) of the object GFRP, and the curve of bending elastic modulus with temperature is calculated according to the experimental data. Then compute and estimate the values of other various thermal parameters through DMA experiment and other literatures, and conduct numerical simulation under two condition respectively: (1) the heat transfer process of GFRP panel in which the panel would be heated directly on the surface above Tg, and the hot processing under this temperature field; (2) physical and mechanical performance of GFRP panel under fire condition. Condition (1) is mainly used to guide the development of high temperature processing equipment, and condition (2) indicates that GFRP’s performance under fire is unsatisfactory, measures must be taken when being adopted. Since composite materials’ properties differ from each other

  19. Application of large-eddy simulation to pressurized thermal shock: Assessment of the accuracy

    International Nuclear Information System (INIS)

    Loginov, M.S.; Komen, E.M.J.; Hoehne, T.

    2011-01-01

    Highlights: → We compare large-eddy simulation with experiment on the single-phase pressurized thermal shock problem. → Three test cases are considered, they cover entire range of mixing patterns. → The accuracy of the flow mixing in the reactor pressure vessel is assessed qualitatively and quantitatively. - Abstract: Pressurized Thermal Shock (PTS) is identified as one of the safety issues where Computational Fluid Dynamics (CFD) can bring real benefits. The turbulence modeling may impact overall accuracy of the calculated thermal loads on the vessel walls, therefore advanced methods for turbulent flows are required. The feasibility and mesh resolution of LES for single-phase PTS are assessed earlier in a companion paper. The current investigation deals with the accuracy of LES approach with respect to the experiment. Experimental data from the Rossendorf Coolant Mixing (ROCOM) facility is used as a basis for validation. Three test cases with different flow rates are considered. They correspond to a buoyancy-driven, a momentum-driven, and a transitional coolant mixing pattern in the downcomer. Time- and frequency-domain analysis are employed for comparison of the numerical and experimental data. The investigation shows a good qualitative prediction of the bulk flow patterns. The fluctuations are modeled correctly. A conservative estimate of the temperature drop near the wall can be obtained from the numerical results with safety factor of 1.1-1.3. In general, the current LES gives a realistic and reliable description of the considered coolant mixing experiments. The accuracy of the prediction is definitely improved with respect to earlier CFD simulations.

  20. Computer simulation with TRNSYS for a mobile refrigeration system incorporating a phase change thermal storage unit

    International Nuclear Information System (INIS)

    Liu, Ming; Saman, Wasim; Bruno, Frank

    2014-01-01

    Highlights: • A mobile refrigeration system incorporating phase change thermal storage was simulated using TRNSYS. • A TRNSYS component of a phase change thermal storage unit was created and linked to other components from TRNSYS library. • The temperature in the refrigerated space can be predicted using this TRNSYS model under various conditions. • A mobile refrigeration system incorporating PCM and an off-peak electric driven refrigeration unit is feasible. • The phase change material with the lowest melting temperature should be selected. - Abstract: This paper presents a new TRNSYS model of a refrigeration system incorporating phase change material (PCM) for mobile transport. The PCTSU is charged by an off-vehicle refrigeration unit and the PCM provides cooling when discharging and the cooling released is utilized to cool down the refrigerated space. The advantage of this refrigeration system compared to a conventional system is that it consumes less energy and produces significantly lower greenhouse gas emissions. A refrigeration system for a typical refrigerated van is modelled and simulations are performed with climatic data from four different locations. The main components of the TRNSYS model are Type 88 (cooling load estimation) and Type 300 (new PCTSU component), accompanied by other additional components. The results show that in order to maintain the temperature of the products at −18 °C for 10 h, a total of 250 kg and 390 kg of PCM are required for no door opening and 20 door openings during the transportation, respectively. In addition, a parametric study is carried out to evaluate the effects of location, size of the refrigerated space, number of door openings and melting temperature of the PCM on the thermal performance

  1. Thermal performance of a Stirling engine powered by a solar simulator

    International Nuclear Information System (INIS)

    Aksoy, Fatih; Karabulut, Halit; Çınar, Can; Solmaz, Hamit; Özgören, Yasar Önder; Uyumaz, Ahmet

    2015-01-01

    In this study, the performance of a beta type Stirling engine which works at relatively lower temperatures was investigated using 400 W and 1000 W halogen lamps as a heat source and helium as the working fluid. The working fluid was charged into the engine block and the pressure of the working fluid was ranged from 1 to 5 bars with 1 bar increments. The halogen lamps were placed into a cavity adjacent to the hot end of the displacer cylinder, which is made of aluminum alloy. In the experiments conducted with 400 W halogen lamp, the temperature of the cavity was 623 ± 10 K. The power, torque and thermal efficiency of the engine were determined to be 37.08 W, 1.68 Nm and 9.27%, at 5 bar charge pressure. For the 1000 W halogen lamp, the temperature of the cavity was determined to be 873 ± 10 K. The power, torque and thermal efficiency of the engine were determined to be 127.17 W, 3.4 Nm and 12.85%, at the same charge pressure. The experimental thermal efficiencies of the engine were also compared with thermodynamic nodal analysis. - Highlights: • The performance of a beta type Stirling engine was investigated. • 400 and 1000 W halogen lamps were used as a solar simulator in the experiments. • Cavity temperature was measured 623 and 873 K for 400 and 1000 W lamps. • 1000 W halogen lamp provided better engine performance and thermal efficiency. • Experimental results of efficiency were compared with nodal analysis results

  2. Simulator with integrated HW and SW for prediction of thermal comfort to provide feedback to the climate control system

    Science.gov (United States)

    Pokorný, Jan; Kopečková, Barbora; Fišer, Jan; JÍcha, Miroslav

    2018-06-01

    The aim of the paper is to assemble a simulator for evaluation of thermal comfort in car cabins in order to give a feedback to the HVAC (heating, ventilation and air conditioning) system. The HW (hardware) part of simulator is formed by thermal manikin Newton and RH (relative humidity), velocity and temperature probes. The SW (software) part consists of the Thermal Comfort Analyser (using ISO 14505-2) and Virtual Testing Stand of Car Cabin defining the heat loads of car cabin. Simulator can provide recommendation for the climate control how to improve thermal comfort in cabin by distribution and directing of air flow, and also by amount of ventilation power to keep optimal temperature inside a cabin. The methods of evaluation of thermal comfort were verified by tests with 10 test subjects for summer (summer clothing, ambient air temperature 30 °C, HVAC setup: +24 °C auto) and winter conditions (winter clothing, ambient air temperature -5 °C, HVAC setup: +18 °C auto). The tests confirmed the validity of the thermal comfort evaluation using the thermal manikin and ISO 14505-2.

  3. Simulator with integrated HW and SW for prediction of thermal comfort to provide feedback to the climate control system

    Directory of Open Access Journals (Sweden)

    Pokorný Jan

    2018-01-01

    Full Text Available The aim of the paper is to assemble a simulator for evaluation of thermal comfort in car cabins in order to give a feedback to the HVAC (heating, ventilation and air conditioning system. The HW (hardware part of simulator is formed by thermal manikin Newton and RH (relative humidity, velocity and temperature probes. The SW (software part consists of the Thermal Comfort Analyser (using ISO 14505-2 and Virtual Testing Stand of Car Cabin defining the heat loads of car cabin. Simulator can provide recommendation for the climate control how to improve thermal comfort in cabin by distribution and directing of air flow, and also by amount of ventilation power to keep optimal temperature inside a cabin. The methods of evaluation of thermal comfort were verified by tests with 10 test subjects for summer (summer clothing, ambient air temperature 30 °C, HVAC setup: +24 °C auto and winter conditions (winter clothing, ambient air temperature -5 °C, HVAC setup: +18 °C auto. The tests confirmed the validity of the thermal comfort evaluation using the thermal manikin and ISO 14505-2.

  4. Numerical model for the thermal yield estimation of unglazed photovoltaic-thermal collectors using indoor solar simulator testing

    NARCIS (Netherlands)

    Katiyar, M.; van Balkom, M.W.; Rindt, C.C.M.; de Keizer, C.; Zondag, H.A.

    2017-01-01

    It is a common practice to test solar thermal and photovoltaic-thermal (PVT) collectors outdoors. This requires testing over several weeks to account for different weather conditions encountered throughout the year, which is costly and time consuming. The outcome of these tests is an estimation of

  5. Thermal-hydraulic numerical simulation of fuel sub-assembly for Sodium-cooled Fast Reactor

    International Nuclear Information System (INIS)

    Saxena, Aakanksha

    2014-01-01

    The thesis focuses on the numerical simulation of sodium flow in wire wrapped sub-assembly of Sodium-cooled Fast Reactor (SFR). First calculations were carried out by a time averaging approach called RANS (Reynolds- Averaged Navier-Stokes equations) using industrial code STAR-CCM+. This study gives a clear understanding of heat transfer between the fuel pin and sodium. The main variables of the macroscopic flow are in agreement with correlations used hitherto. However, to obtain a detailed description of temperature fluctuations around the spacer wire, more accurate approaches like LES (Large Eddy Simulation) and DNS (Direct Numerical Simulation) are clearly needed. For LES approach, the code TRIO U was used and for the DNS approach, a research code was used. These approaches require a considerable long calculation time which leads to the need of representative but simplified geometry. The DNS approach enables us to study the thermal hydraulics of sodium that has very low Prandtl number inducing a very different behavior of thermal field in comparison to the hydraulic field. The LES approach is used to study the local region of sub-assembly. This study shows that spacer wire generates the local hot spots (∼20 C) on the wake side of spacer wire with respect to the sodium flow at the region of contact with the fuel pin. Temperature fluctuations around the spacer wire are low (∼1 C-2 C). Under nominal operation, the spectral analysis shows the absence of any dominant peak for temperature oscillations at low frequency (2-10 Hz). The obtained spectra of temperature oscillations can be used as an input for further mechanical studies to determine its impact on the solid structures. (author) [fr

  6. JPL Thermal Design Modeling Philosophy and NASA-STD-7009 Standard for Models and Simulations - A Case Study

    Science.gov (United States)

    Avila, Arturo

    2011-01-01

    The Standard JPL thermal engineering practice prescribes worst-case methodologies for design. In this process, environmental and key uncertain thermal parameters (e.g., thermal blanket performance, interface conductance, optical properties) are stacked in a worst case fashion to yield the most hot- or cold-biased temperature. Thus, these simulations would represent the upper and lower bounds. This, effectively, represents JPL thermal design margin philosophy. Uncertainty in the margins and the absolute temperatures is usually estimated by sensitivity analyses and/or by comparing the worst-case results with "expected" results. Applicability of the analytical model for specific design purposes along with any temperature requirement violations are documented in peer and project design review material. In 2008, NASA released NASA-STD-7009, Standard for Models and Simulations. The scope of this standard covers the development and maintenance of models, the operation of simulations, the analysis of the results, training, recommended practices, the assessment of the Modeling and Simulation (M&S) credibility, and the reporting of the M&S results. The Mars Exploration Rover (MER) project thermal control system M&S activity was chosen as a case study determining whether JPL practice is in line with the standard and to identify areas of non-compliance. This paper summarizes the results and makes recommendations regarding the application of this standard to JPL thermal M&S practices.

  7. Prediction and analysis of structure, stability and unfolding of thermolysin-like proteases

    Science.gov (United States)

    Vriend, Gert; Eijsink, Vincent

    1993-08-01

    Bacillus neutral proteases (NPs) form a group of well-characterized homologous enzymes, that exhibit large differences in thermostability. The three-dimensional (3D) structures of several of these enzymes have been modelled on the basis of the crystal structures of the NPs of B. thermoproteolyticus (thermolysin) and B. cercus. Several new techniques have been developed to improve the model-building procedures. Also a model-building by mutagenesis' strategy was used, in which mutants were designed just to shed light on parts of the structures that were particularly hard to model. The NP models have been used for the prediction of site-directed mutations aimed at improving the thermostability of the enzymes. Predictions were made using several novel computational techniques, such as position-specific rotamer searching, packing quality analysis and property-profile database searches. Many stabilizing mutations were predicted and produced: improvement of hydrogen bonding, exclusion of buried water molecules, capping helices, improvement of hydrophobic interactions and entropic stabilization have been applied successfully. At elevated temperatures NPs are irreversibly inactivated as a result of autolysis. It has been shown that this denaturation process is independent of the protease activity and concentration and that the inactivation follows first-order kinetics. From this it has been conjectured that local unfolding of (surface) loops, which renders the protein susceptible to autolysis, is the rate-limiting step. Despite the particular nature of the thermal denaturation process, normal rules for protein stability can be applied to NPs. However, rather than stabilizing the whole protein against global unfolding, only a small region has to be protected against local unfolding. In contrast to proteins in general, mutational effects in proteases are not additive and their magnitude is strongly dependent on the location of the mutation. Mutations that alter the stability

  8. A 3-D wellbore simulator (WELLTHER-SIM) to determine the thermal diffusivity of rock-formations

    Science.gov (United States)

    Wong-Loya, J. A.; Santoyo, E.; Andaverde, J.

    2017-06-01

    Acquiring thermophysical properties of rock-formations in geothermal systems is an essential task required for the well drilling and completion. Wellbore thermal simulators require such properties for predicting the thermal behavior of a wellbore and the formation under drilling and shut-in conditions. The estimation of static formation temperatures also needs the use of these properties for the wellbore and formation materials (drilling fluids and pipes, cements, casings, and rocks). A numerical simulator (WELLTHER-SIM) has been developed for modeling the drilling fluid circulation and shut-in processes of geothermal wellbores, and for the in-situ determination of thermal diffusivities of rocks. Bottomhole temperatures logged under shut-in conditions (BHTm), and thermophysical and transport properties of drilling fluids were used as main input data. To model the thermal disturbance and recovery processes in the wellbore and rock-formation, initial drilling fluid and static formation temperatures were used as initial and boundary conditions. WELLTHER-SIM uses these temperatures together with an initial thermal diffusivity for the rock-formation to solve the governing equations of the heat transfer model. WELLTHER-SIM was programmed using the finite volume technique to solve the heat conduction equations under 3-D and transient conditions. Thermal diffusivities of rock-formations were inversely computed by using an iterative and efficient numerical simulation, where simulated thermal recovery data sets (BHTs) were statistically compared with those temperature measurements (BHTm) logged in some geothermal wellbores. The simulator was validated using a well-documented case reported in the literature, where the thermophysical properties of the rock-formation are known with accuracy. The new numerical simulator has been successfully applied to two wellbores drilled in geothermal fields of Japan and Mexico. Details of the physical conceptual model, the numerical

  9. Computer simulation of thermal-hydraulics of MNSR fuel-channel assembly using LabView

    International Nuclear Information System (INIS)

    Gadri, L. A.

    2013-07-01

    A LabView simulator of thermal hydraulics has been developed to demonstrate the temperature profile of coolant flow in the reactor core during normal operation. The simulator could equally be used for any transient behaviour of the reactor. Heat generation, transfer and the associated temperature profile in the fuel-channel elements viz: the coolant, cladding and fuel were studied and the corresponding analytical temperature equations in the axial and radial directions for the coolant, outer surface of the cladding, fuel surface and fuel center were obtained for the simulation using LabView. Tables of values for the equations were constructed by MATLAB and excel software programs. Plots of the equations with LabView were verified and validated with the graphs drawn by the MATLAB. In this thesis, an analysis of the effects of the coolant inlet temperature of 24.5°C and exit temperature of 70.0° on the temperature distribution in fuel-channel elements of the reactor core of cylindrical geometry was carried out. Other parameters, including the total fuel channel power, mass flow rate and convective heat transfer coefficient were varied to study the effects on the temperature profile. The analytical temperature equations in the fuel channel elements of the reactor core were obtained. MATLAB and Excel software were used to construct data for the equations. The plots by MATLAB were used to benchmark the LabVIEW simulation. Excellent agreement was obtained between the MATLAB plots and the LabView simulation results with an error margin of 0.001. The analysis of the results by comparing gradients of inlet temperature, total reactor channel power and mass flow indicated that inlet temperature gradient is one of the key parameters in determining the temperature profile in the MNSR core. (au)

  10. Exploring the Unfolding Pathway of Maltose Binding Proteins: An Integrated Computational Approach

    KAUST Repository

    Guardiani, Carlo; Marino, Daniele Di; Tramontano, Anna; Chinappi, Mauro; Cecconi, Fabio

    2014-01-01

    © 2014 American Chemical Society. Recent single-molecule force spectroscopy experiments on the Maltose Binding Proteins (MBPs) identified four stable structural units, termed unfoldons, that resist mechanical stress and determine the intermediates of the unfolding pathway. In this work, we analyze the topological origin and the dynamical role of the unfoldons using an integrated approach which combines a graph-theoretical analysis of the interaction network of the MBP native-state with steered molecular dynamics simulations. The topological analysis of the native state, while revealing the structural nature of the unfoldons, provides a framework to interpret the MBP mechanical unfolding pathway. Indeed, the experimental pathway can be effectively predicted by means of molecular dynamics simulations with a simple topology-based and low-resolution model of the MBP. The results obtained from the coarse-grained approach are confirmed and further refined by all-atom molecular dynamics.

  11. Exploring the Unfolding Pathway of Maltose Binding Proteins: An Integrated Computational Approach

    KAUST Repository

    Guardiani, Carlo

    2014-09-09

    © 2014 American Chemical Society. Recent single-molecule force spectroscopy experiments on the Maltose Binding Proteins (MBPs) identified four stable structural units, termed unfoldons, that resist mechanical stress and determine the intermediates of the unfolding pathway. In this work, we analyze the topological origin and the dynamical role of the unfoldons using an integrated approach which combines a graph-theoretical analysis of the interaction network of the MBP native-state with steered molecular dynamics simulations. The topological analysis of the native state, while revealing the structural nature of the unfoldons, provides a framework to interpret the MBP mechanical unfolding pathway. Indeed, the experimental pathway can be effectively predicted by means of molecular dynamics simulations with a simple topology-based and low-resolution model of the MBP. The results obtained from the coarse-grained approach are confirmed and further refined by all-atom molecular dynamics.

  12. Atucha II NPP full scope simulator modelling with the thermal hydraulic code TRACRT

    International Nuclear Information System (INIS)

    Alonso, Pablo Rey; Ruiz, Jose Antonio; Rivero, Norberto

    2011-01-01

    In February 2010 NA-SA (Nucleoelectrica Argentina S.A.) awarded Tecnatom the Atucha II full scope simulator project. NA-SA is a public company owner of the Argentinean nuclear power plants. Atucha II is due to enter in operation shortly. Atucha II NPP is a PHWR type plant cooled by the water of the Parana River and has the same design as the Atucha I unit, doubling its power capacity. Atucha II will produce 745 MWe utilizing heavy water as coolant and moderator, and natural uranium as fuel. A plant singular feature is the permanent core refueling. TRAC R T is the first real time thermal hydraulic six-equations code used in the training simulation industry for NSSS modeling. It is the result from adapting to real time the best estimate code TRACG. TRAC R T is based on first principle conservation equations for mass, energy and momentum for liquid and steam phases, with two phase flows under non homogeneous and non equilibrium conditions. At present, it has been successfully implemented in twelve full scope replica simulators in different training centers throughout the world. To ease the modeling task, TRAC R T includes a graphical pre-processing tool designed to optimize this process and alleviate the burden of entering alpha numerical data in an input file. (author)

  13. Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

    Science.gov (United States)

    Wu, Xufei; Liu, Zeyu; Luo, Tengfei

    2018-02-01

    In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

  14. Synchronized Molecular-Dynamics simulation for thermal lubrication of a polymeric liquid between parallel plates

    Science.gov (United States)

    Yasuda, Shugo; Yamamoto, Ryoichi

    2015-11-01

    The Synchronized Molecular-Dynamics simulation which was recently proposed by authors is applied to the analysis of polymer lubrication between parallel plates. In the SMD method, the MD simulations are assigned to small fluid elements to calculate the local stresses and temperatures and are synchronized at certain time intervals to satisfy the macroscopic heat- and momentum-transport equations.The rheological properties and conformation of the polymer chains coupled with local viscous heating are investigated with a non-dimensional parameter, the Nahme-Griffith number, which is defined as the ratio of the viscous heating to the thermal conduction at the characteristic temperature required to sufficiently change the viscosity. The present simulation demonstrates that strong shear thinning and a transitional behavior of the conformation of the polymer chains are exhibited with a rapid temperature rise when the Nahme-Griffith number exceeds unity.The results also clarify that the reentrant transition of the linear stress-optical relation occurs for large shear stresses due to the coupling of the conformation of polymer chains with heat generation under shear flows. This study was financially supported by JSPS KAKENHI Grant Nos. 26790080 and 26247069.

  15. Simulating thermal behavior of AECL's spent fuel dry storage system with CATHENA

    International Nuclear Information System (INIS)

    Sabourin, G.

    1998-01-01

    This paper documents the comparisons between CATHENA predictions and temperature measurements taken at the Gentilly-2 NPP spent fuel dry storage facility and in a mock--up of a storage basket placed inside a storage cylinder. It also presents CATHENA temperature predictions related to the storage of spent fuel in MACSTOR modules as planned for Ignalina NPP, Lithuania. CATHENA has been chosen because it can simulate many noncondensable gases including air and helium, and because of its great flexibility in the representation of the MACSTOR module geometry. The results of the simulations show good agreement with the experimental measurements. The two comparisons indicate that CATHENA can be used to simulate heat transfer from the fuel to the external air circuit of the spent fuel dry storage system. For the Ignalina MACSTOR module, containing RBMK fuel having higher heat release than typical CANDU fuel, CATHENA predicts that the maximum fuel temperature is expected to be around 240 deg C, giving an acceptable margin below the maximum allowed temperature of 300 deg C. In conclusion, this paper shows that the thermalhydraulic code CATHENA can accurately predict the thermal behavior AECL's air cooled spent fuel dry storage system. (author)

  16. Simulating thermal behavior of AECL's spent fuel dry storage system with CATHENA

    Energy Technology Data Exchange (ETDEWEB)

    Sabourin, G. [Atomic Energy of Canada Limited, Montreal, PQ (Canada)

    1998-07-01

    This paper documents the comparisons between CATHENA predictions and temperature measurements taken at the Gentilly-2 NPP spent fuel dry storage facility and in a mock--up of a storage basket placed inside a storage cylinder. It also presents CATHENA temperature predictions related to the storage of spent fuel in MACSTOR modules as planned for Ignalina NPP, Lithuania. CATHENA has been chosen because it can simulate many noncondensable gases including air and helium, and because of its great flexibility in the representation of the MACSTOR module geometry. The results of the simulations show good agreement with the experimental measurements. The two comparisons indicate that CATHENA can be used to simulate heat transfer from the fuel to the external air circuit of the spent fuel dry storage system. For the Ignalina MACSTOR module, containing RBMK fuel having higher heat release than typical CANDU fuel, CATHENA predicts that the maximum fuel temperature is expected to be around 240 deg C, giving an acceptable margin below the maximum allowed temperature of 300 deg C. In conclusion, this paper shows that the thermalhydraulic code CATHENA can accurately predict the thermal behavior AECL's air cooled spent fuel dry storage system. (author)

  17. Application of process simulation for evaluation of ecologically benefical developments in thermal power plant technology

    International Nuclear Information System (INIS)

    Schuster, G.

    2000-04-01

    Responsibility for the environment and a sustainable utilization of resources gain also in the production of electric power more and more importance. For this reason existing power generation processes have to be improved and alternatives to existing processes have to be developed. As a first step in this procedure process simulation is a powerful tool to evaluate the potentials of new developments. In this work it is shown, how new thermal power processes are modeled and simulated based on well-known thermodynamic and chemical correlations. Processes for thermal power plants using lignite with high water content and biomass as fuel are studied. In each case simulations are carried out for complete plants including all important unit operations. Based on a conventional thermal power plant for lignite different variants for efficiency improvement by fuel drying are examined. Additionally the potential of a process with gasification and gas turbine is discussed. Compared to a lignite power plant the preconditions for a biomass power plant are different. A promising option for the future seems to be small, decentralized combined heat and power plants. Therefore a process with simple and compact design including gasifier and gas turbine is regarded and sensitivity analyses are carried out. As well as for the lignite processes possible improvements by fuel drying are studied. The basis lignite power plant (drying in an impact rotor mill with hot flue gas) has an overall electric efficiency of 36 %. Alternative fuel drying processes (reducing water content from 54 w % to 10 w %) can increase efficiency to nearly 43 %. Using integrated air-blown gasification combined with gas turbine and steam turbine and additional fuel drying raises the efficiency up to 49 % in the case of cold gas cleanup and up to 50 percent in the case of hot gas cleanup. Efficiencies of the regarded biomass power plants are in the range of about 20 % (with a biomass water content of 25 w %). By

  18. Simulation of thermal stress and buckling instability in Si/Ge and Ge/Si core/shell nanowires.

    Science.gov (United States)

    Das, Suvankar; Moitra, Amitava; Bhattacharya, Mishreyee; Dutta, Amlan

    2015-01-01

    The present study employs the method of atomistic simulation to estimate the thermal stress experienced by Si/Ge and Ge/Si, ultrathin, core/shell nanowires with fixed ends. The underlying technique involves the computation of Young's modulus and the linear coefficient of thermal expansion through separate simulations. These two material parameters are combined to obtain the thermal stress on the nanowires. In addition, the thermally induced stress is perceived in the context of buckling instability. The analysis provides a trade-off between the geometrical and operational parameters of the nanostructures. The proposed methodology can be extended to other materials and structures and helps with the prediction of the conditions under which a nanowire-based device might possibly fail due to elastic instability.

  19. Thermal transport in UO2 with defects and fission products by molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiang-Yang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cooper, Michael William Donald [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mcclellan, Kenneth James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Lashley, Jason Charles [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Byler, Darrin David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-10-14

    The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U5+ and Zr4+ in UO2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then corrected for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO2+x samples.

  20. Solvent Effects on Protein Folding/Unfolding

    Science.gov (United States)

    García, A. E.; Hillson, N.; Onuchic, J. N.

    Pressure effects on the hydrophobic potential of mean force led Hummer et al. to postulate a model for pressure denaturation of proteins in which denaturation occurs by means of water penetration into the protein interior, rather than by exposing the protein hydrophobic core to the solvent --- commonly used to describe temperature denaturation. We study the effects of pressure in protein folding/unfolding kinetics in an off-lattice minimalist model of a protein in which pressure effects have been incorporated by means of the pair-wise potential of mean force of hydrophobic groups in water. We show that pressure slows down the kinetics of folding by decreasing the reconfigurational diffusion coefficient and moves the location of the folding transition state.

  1. Kinetics of protein unfolding at interfaces

    International Nuclear Information System (INIS)

    Yano, Yohko F

    2012-01-01

    The conformation of protein molecules is determined by a balance of various forces, including van der Waals attraction, electrostatic interaction, hydrogen bonding, and conformational entropy. When protein molecules encounter an interface, they are often adsorbed on the interface. The conformation of an adsorbed protein molecule strongly depends on the interaction between the protein and the interface. Recent time-resolved investigations have revealed that protein conformation changes during the adsorption process due to the protein-protein interaction increasing with increasing interface coverage. External conditions also affect the protein conformation. This review considers recent dynamic observations of protein adsorption at various interfaces and their implications for the kinetics of protein unfolding at interfaces. (topical review)

  2. The l z ( p ) * Person-Fit Statistic in an Unfolding Model Context.

    Science.gov (United States)

    Tendeiro, Jorge N

    2017-01-01

    Although person-fit analysis has a long-standing tradition within item response theory, it has been applied in combination with dominance response models almost exclusively. In this article, a popular log likelihood-based parametric person-fit statistic under the framework of the generalized graded unfolding model is used. Results from a simulation study indicate that the person-fit statistic performed relatively well in detecting midpoint response style patterns and not so well in detecting extreme response style patterns.

  3. Time-dependent, x-ray spectral unfolds and brightness temperatures for intense Li+ ion beam-driven hohlraums

    International Nuclear Information System (INIS)

    Fehl, D.L.; Chandler, G.A.; Biggs, F.; Dukart, R.J.; Moats, A.R.; Leeper, R.J.

    1996-01-01

    X-ray-producing hohlraums are being studied as indirect drives for Inertial Confinement Fusion targets. In a 1994 target series on the PBFAII accelerator, cylindrical hohlraum targets were heated by an intense Li + ion beam and viewed by an array of 13 time-resolved, filtered x-ray detectors (XRDs). The UFO unfold code and its suite of auxiliary functions were used extensively in obtaining time- resolved x-ray spectra and radiation temperatures from this diagnostic. UFO was also used to obtain fitted response functions from calibration data, to simulate data from blackbody x-ray spectra of interest, to determine the suitability of various unfolding parameters (e.g., energy domain, energy partition, smoothing conditions, and basis functions), to interpolate the XRD signal traces, and to unfold experimental data. The simulation capabilities of the code were useful in understanding an anomalous feature in the unfolded spectra at low photon energies (≤ 100 eV). Uncertainties in the differential and energy-integrated unfolded spectra were estimated from uncertainties in the data. The time-history of the radiation temperature agreed well with independent calculations of the wall temperature in the hohlraum

  4. Time-dependent, x-ray spectral unfolds and brightness temperatures for intense Li+ ion beam-driven hohlraums

    International Nuclear Information System (INIS)

    Fehl, D.L.; Chandler, G.A.; Biggs, F.; Dukart, R.J.; Moats, A.R.; Leeper, R.J.

    1997-01-01

    X-ray-producing hohlraums are being studied as indirect drives for inertial confinement fusion targets. In a 1994 target series on the PBFAII accelerator, cylindrical hohlraum targets were heated by an intense Li + ion beam and viewed by an array of 13 time-resolved, filtered x-ray detectors (XRDs). The unfold operator (UFO) code and its suite of auxiliary functions were used extensively in obtaining time-resolved x-ray spectra and radiation temperatures from this diagnostic. The UFO was also used to obtain fitted response functions from calibration data, to simulate data from blackbody x-ray spectra of interest, to determine the suitability of various unfolding parameters (e.g., energy domain, energy partition, smoothing conditions, and basis functions), to interpolate the XRD signal traces, and to unfold experimental data. The simulation capabilities of the code were useful in understanding an anomalous feature in the unfolded spectra at low photon energies (≤100 eV). Uncertainties in the differential and energy-integrated unfolded spectra were estimated from uncertainties in the data. The time endash history of the radiation temperature agreed well with independent calculations of the wall temperature in the hohlraum. copyright 1997 American Institute of Physics

  5. Finite element simulation of stress evolution in thermal barrier coating systems

    Energy Technology Data Exchange (ETDEWEB)

    Bednarz, P.

    2007-07-01

    Gas turbine materials exposed to extreme high temperature require protective coatings. To design reliable components, a better understanding of the coating failure mechanisms is required. Damage in Thermal Barrier Coating Systems (TBCs) is related to oxidation of the Bond Coat, sintering of the ceramic, thermal mismatch of the material constituents, complex shape of the BC/TGO/TBC interface, redistribution of stresses via creep and plastic deformation and crack resistance. In this work, experimental data of thermo-mechanical properties of CMSX-4, MCrAlY (Bond Coat) and APS-TBC (partially stabilized zirconia), were implemented into an FE-model in order to simulate the stress development at the metal/ceramic interface. The FE model reproduced the specimen geometry used in corresponding experiments. It comprises a periodic unit cell representing a slice of the cylindrical specimen, whereas the periodic length of the unit cell equals an idealized wavelength of the rough metal/ceramic interface. Experimental loading conditions in form of thermal cycling with a dwelltime at high temperature and consideration of continuous oxidation were simulated. By a stepwise consideration of various material properties and processes, a reference model was achieved which most realistically simulated the materials behavior. The influences of systematic parameter variations on the stress development and critical sites with respect to possible crack paths were shown. Additionally, crack initiation and propagation at the peak of asperity at BC/TGO interface was calculated. It can be concluded that a realistic modeling of stress development in TBCs requires at least reliable data of i) BC and TGO plasticity, ii) BC and TBC creep, iii) continuous oxidation including in particular lateral oxidation, and iv) critical energy release rate for interfaces (BC/TGO, TGO/TBC) and for each layer. The main results from the performed parametric studies of material property variations suggest that

  6. Development of numerical simulation system for thermal-hydraulic analysis in fuel assembly of sodium-cooled fast reactor

    Energy Technology Data Exchange (ETDEWEB)

    Ohshima, Hiroyuki; Uwaba, Tomoyuki [Japan Atomic Energy Agency (4002 Narita, O-arai, Ibaraki 311-1393, Japan) (Japan); Hashimoto, Akihiko; Imai, Yasutomo [NDD Corporation (1-1-6 Jounan, Mito, Ibaraki 310-0803, Japan) (Japan); Ito, Masahiro [NESI Inc. (4002 Narita, O-arai, Ibaraki 311-1393, Japan) (Japan)

    2015-12-31

    A numerical simulation system, which consists of a deformation analysis program and three kinds of thermal-hydraulics analysis programs, is being developed in Japan Atomic Energy Agency in order to offer methodologies to clarify thermal-hydraulic phenomena in fuel assemblies of sodium-cooled fast reactors under various operating conditions. This paper gives the outline of the system and its applications to fuel assembly analyses as a validation study.

  7. Unfolding in particle physics: A window on solving inverse problems

    International Nuclear Information System (INIS)

    Spano, F.

    2013-01-01

    Unfolding is the ensemble of techniques aimed at resolving inverse, ill-posed problems. A pedagogical introduction to the origin and main problems related to unfolding is presented and used as the the stepping stone towards the illustration of some of the most common techniques that are currently used in particle physics experiments. (authors)

  8. Review of unfolding methods for neutron flux dosimetry

    International Nuclear Information System (INIS)

    Stallmann, F.W.; Kam, F.B.K.

    1975-01-01

    The primary method in reactor dosimetry is the foil activation technique. To translate the activation measurements into neutron fluxes, a special data processing technique called unfolding is needed. Some general observations about the problems and the reliability of this approach to reactor dosimetry are presented. Current unfolding methods are reviewed. 12 references. (auth)

  9. A numerical simulation package for analysis of neutronics and thermal fluids of space nuclear power and propulsion systems

    International Nuclear Information System (INIS)

    Anghaie, S.; Feller, G.J.; Peery, S.D.; Parsley, R.C.

    1993-01-01

    A system of computer codes for engineering simulation and in-depth analysis of nuclear and thermal fluid design of nuclear thermal rockets is developed. The computational system includes a neutronic solver package, a thermal fluid solver package and a propellant and materials property package. The Rocket Engine Transient Simulation (ROCETS) system code is incorporated with computational modules specific to nuclear powered engines. ROCETS features a component based performance architecture that interfaces component modules into the user designed configuration, interprets user commands, creates an executable FORTRAN computer program, and executes the program to provide output to the user. Basic design features of the Pratt ampersand Whitney XNR2000 nuclear rocket concept and its operational performance are analyzed and simulated

  10. Experiment-based thermal micromagnetic simulations of the magnetization reversal for ns-range clocked nanomagnetic logic

    Science.gov (United States)

    Ziemys, Grazvydas; Breitkreutz-v. Gamm, Stephan; Csaba, Gyorgy; Schmitt-Landsiedel, Doris; Becherer, Markus

    2017-05-01

    Extensive thermal micromagnetic simulations, based on experimental data and parameters, were performed to investigate the magnetization reversal in Co/Pt nanomagnets with locally reduced perpendicular anisotropy on the nanosecond range. The simulations were supported by experimental data gained on manufactured Co/Pt nanomagnets, as used in nanomagnetic logic. It is known that magnetization reversal is governed by two mechanisms. At pulse lengths longer than 100 ns, thermal activation dominates the magnetization reversal processes and follows the common accepted Arrhenius law. For pulse lengths shorter than 100 ns, the dynamic reversal dominates. With the help of thermal micro-magnetic simulations we found out that the point where the both mechanisms meet is determined by the damping constant α of the multilayer film stack. The optimization of ferromagnetic multilayer film stacks enables higher clocking rates with lower power consumption and, therefore, further improve the performance of pNML.

  11. Thermal sensation vote simulation on the aged for bus air conditioning; Koreisha wo koryoshita onkan suchi simulation no bus kucho eno tekiyo

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, H; Nishijima, H; Kitada, M; Shinma, A [Denso Corp., Aichi (Japan)

    1997-10-01

    The Numbers of passengers on the aged of sight-seeing buses about 5 times bigger than those of car passengers, have been increasing gradually. The former paper of DENSO in 1994 introduces quantitative method, which simulates passenger heat amount given by sun light at various solar positions. At this time, this paper introduces quantitative method, which simulates passengers thermal sensation skin temperature and also heat amount given by sun light at various solar positions. 5 refs., 8 figs., 2 tabs.

  12. Thermal-Hydraulic Simulations of Single Pin and Assembly Sector for IVG- 1M Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, A. [Argonne National Lab. (ANL), Argonne, IL (United States); Garner, P. [Argonne National Lab. (ANL), Argonne, IL (United States); Hanan, N. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-01-15

    Thermal-hydraulic simulations have been performed using computational fluid dynamics (CFD) for the highly-enriched uranium (HEU) design of the IVG.1M reactor at the Institute of Atomic Energy (IAE) at the National Nuclear Center (NNC) in the Republic of Kazakhstan. Steady-state simulations were performed for both types of fuel assembly (FA), i.e. the FA in rows 1 & 2 and the FA in row 3, as well as for single pins in those FA (600 mm and 800 mm pins). Both single pin calculations and bundle sectors have been simulated for the most conservative operating conditions corresponding to the 10 MW output power, which corresponds to a pin unit cell Reynolds number of only about 7500. Simulations were performed using the commercial code STAR-CCM+ for the actual twisted pin geometry as well as a straight-pin approximation. Various Reynolds-Averaged Navier-Stokes (RANS) turbulence models gave different results, and so some validation runs with a higher-fidelity Large Eddy Simulation (LES) code were performed given the lack of experimental data. These singled out the Realizable Two-Layer k-ε as the most accurate turbulence model for estimating surface temperature. Single-pin results for the twisted case, based on the average flow rate per pin and peak pin power, were conservative for peak clad surface temperature compared to the bundle results. Also the straight-pin calculations were conservative as compared to the twisted pin simulations, as expected, but the single-pin straight case was not always conservative with regard to the straight-pin bundle. This was due to the straight-pin temperature distribution being strongly influenced by the pin orientation, particularly near the outer boundary. The straight-pin case also predicted the peak temperature to be in a different location than the twisted-pin case. This is a limitation of the straight-pin approach. The peak temperature pin was in a different location from the peak power pin in every case simulated, and occurred at an

  13. Identification of an Unfolding Intermediate for a DNA Lesion Bypass Polymerase

    Science.gov (United States)

    Sherrer, Shanen M.; Maxwell, Brian A.; Pack, Lindsey R.; Fiala, Kevin A.; Fowler, Jason D.; Zhang, Jun; Suo, Zucai

    2012-01-01

    Sulfolobus solfataricusDNA Polymerase IV (Dpo4), a prototype Y-family DNA polymerase, has been well characterized biochemically and biophysically at 37 °C or lower temperatures. However, the physiological temperature of the hyperthermophile S. solfataricus is approximately 80 °C. With such a large discrepancy in temperature, the in vivo relevance of these in vitro studies of Dpo4 has been questioned. Here, we employed circular dichroism spectroscopy and fluorescence-based thermal scanning to investigate the secondary structural changes of Dpo4 over a temperature range from 26 to 119 °C. Dpo4 was shown to display a high melting temperature characteristic of hyperthermophiles. Unexpectedly, the Little Finger domain of Dpo4, which is only found in the Y-family DNA polymerases, was shown to be more thermostable than the polymerase core. More interestingly, Dpo4 exhibited a three-state cooperative unfolding profile with an unfolding intermediate. The linker region between the Little Finger and Thumb domains of Dpo4 was found to be a source of structural instability. Through site-directed mutagenesis, the interactions between the residues in the linker region and the Palm domain were identified to play a critical role in the formation of the unfolding intermediate. Notably, the secondary structure of Dpo4 was not altered when the temperature was increased from 26 to 87.5 °C. Thus, in addition to providing structural insights into the thermal stability and an unfolding intermediate of Dpo4, our work also validated the relevance of the in vitro studies of Dpo4 performed at temperatures significantly lower than 80 °C. PMID:22667759

  14. Measuring the spectral emissivity of thermal protection materials during atmospheric reentry simulation

    Science.gov (United States)

    Marble, Elizabeth

    1996-01-01

    Hypersonic spacecraft reentering the earth's atmosphere encounter extreme heat due to atmospheric friction. Thermal Protection System (TPS) materials shield the craft from this searing heat, which can reach temperatures of 2900 F. Various thermophysical and optical properties of TPS materials are tested at the Johnson Space Center Atmospheric Reentry Materials and Structures Evaluation Facility, which has the capability to simulate critical environmental conditions associated with entry into the earth's atmosphere. Emissivity is an optical property that determines how well a material will reradiate incident heat back into the atmosphere upon reentry, thus protecting the spacecraft from the intense frictional heat. This report describes a method of measuring TPS emissivities using the SR5000 Scanning Spectroradiometer, and includes system characteristics, sample data, and operational procedures developed for arc-jet applications.

  15. Integration of an iterative methodology for exergoeconomic improvement of thermal systems with a process simulator

    International Nuclear Information System (INIS)

    Vieira, Leonardo S.; Donatelli, Joao L.; Cruz, Manuel E.

    2004-01-01

    In this paper, we present the development and automated implementation of an iterative methodology for exergoeconomic improvement of thermal systems integrated with a process simulator, so as to be applicable to real, complex plants. The methodology combines recent available exergoeconomic techniques with new qualitative and quantitative criteria for the following tasks: (i) identification of decision variables that affect system total cost and exergetic efficiency; (ii) hierarchical classification of components; (iii) identification of predominant terms in the component total cost; and (iv) choice of main decision variables in the iterative process. To show the strengths and potential advantages of the proposed methodology, it is here applied to the benchmark CGAM cogeneration system. The results obtained are presented and discussed in detail and are compared to those reached using a mathematical optimization procedure

  16. Stochastic simulation of thermally assisted magnetization reversal in sub-100 nm dots with perpendicular anisotropy

    International Nuclear Information System (INIS)

    Purnama, Budi; Koga, Masashi; Nozaki, Yukio; Matsuyama, Kimihide

    2009-01-01

    Thermally assisted magnetization reversal of sub-100 nm dots with perpendicular anisotropy has been investigated using a micromagnetic Langevin model. The performance of the two different reversal modes of (i) a reduced barrier writing scheme and (ii) a Curie point writing scheme are compared. For the reduced barrier writing scheme, the switching field H swt decreases with an increase in writing temperature but is still larger than that of the Curie point writing scheme. For the Curie point writing scheme, the required threshold field H th , evaluated from 50 simulation results, saturates at a value, which is not simply related to the energy barrier height. The value of H th increases with a decrease in cooling time owing to the dynamic aspects of the magnetic ordering process. Dependence of H th on material parameters and dot sizes has been systematically studied

  17. Coupling Chemical Kinetics and Flashes in Reactive, Thermal and Compositional Reservoir Simulation

    DEFF Research Database (Denmark)

    Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

    2007-01-01

    of convergence and error test failures by more than 50% compared to direct integration without the new algorithm. To facilitate the algorithmic development we construct a virtual kinetic cell model. We use implicit one-step ESDIRK (Explicit Singly Diagonal Implicit Runge-Kutta) methods for integration...... of the kinetics. The kinetic cell model serves both as a tool for the development and testing of tailored solvers as well as a testbed for studying the interactions between chemical kinetics and phase behavior. A comparison between a Kvalue correlation based approach and a more rigorous equation of state based......Phase changes are known to cause convergence problems for integration of stiff kinetics in thermal and compositional reservoir simulations. We propose an algorithm for detection and location of phase changes based on discrete event system theory. The algorithm provides a robust way for handling...

  18. Coupling Chemical Kinetics and Flashes in Reactive, Thermal and Compositional Reservoir Simulation

    DEFF Research Database (Denmark)

    Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

    2007-01-01

    of convergence and error test failures by more than 50% compared to direct integration without the new algorithm. To facilitate the algorithmic development we construct a virtual kinetic cell model. We use implicit one-step ESDIRK (Explicit Singly Diagonal Implicit Runge-Kutta) methods for integration......Phase changes are known to cause convergence problems for integration of stiff kinetics in thermal and compositional reservoir simulations. We propose an algorithm for detection and location of phase changes based on discrete event system theory. The algorithm provides a robust way for handling...... the switching of variables and equations required when the number of phases changes. We extend the method to handle full phase equilibrium described by an equation of state. Experiments show that the new algorithm improves the robustness of the integration process near phase boundaries by lowering the number...

  19. An improved electrical and thermal model of a microbolometer for electronic circuit simulation

    Science.gov (United States)

    Würfel, D.; Vogt, H.

    2012-09-01

    The need for uncooled infrared focal plane arrays (IRFPA) for imaging systems has increased since the beginning of the nineties. Examples for the application of IRFPAs are thermography, pedestrian detection for automotives, fire fighting, and infrared spectroscopy. It is very important to have a correct electro-optical model for the simulation of the microbolometer during the development of the readout integrated circuit (ROIC) used for IRFPAs. The microbolometer as the sensing element absorbs infrared radiation which leads to a change of its temperature due to a very good thermal insulation. In conjunction with a high temperature coefficient of resistance (TCR) of the sensing material (typical vanadium oxide or amorphous silicon) this temperature change results in a change of the electrical resistance. During readout, electrical power is dissipated in the microbolometer, which increases the temperature continuously. The standard model for the electro-optical simulation of a microbolometer includes the radiation emitted by an observed blackbody, radiation emitted by the substrate, radiation emitted by the microbolometer itself to the surrounding, a heat loss through the legs which connect the microbolometer electrically and mechanically to the substrate, and the electrical power dissipation during readout of the microbolometer (Wood, 1997). The improved model presented in this paper takes a closer look on additional radiation effects in a real IR camera system, for example the radiation emitted by the casing and the lens. The proposed model will consider that some parts of the radiation that is reflected from the casing and the substrate is also absorbed by the microbolometer. Finally, the proposed model will include that some fraction of the radiation is transmitted through the microbolometer at first and then absorbed after the reflection at the surface of the substrate. Compared to the standard model temperature and resistance of the microbolometer can be

  20. Thermal behavior and densification mechanism during selective laser melting of copper matrix composites: Simulation and experiments

    International Nuclear Information System (INIS)

    Dai, Donghua; Gu, Dongdong

    2014-01-01

    Highlights: • Thermal behavior and densification activity during SLM of composites are simulated. • Temperature distributions and melt pool dimensions during SLM are disclosed. • Motion behaviors of gaseous bubbles in laser induced melt pool are elucidated. • Simulation results show good agreement with the obtained experimental results. - Abstract: Simulation of temperature distribution and densification process of selective laser melting (SLM) WC/Cu composite powder system has been performed, using a finite volume method (FVM). The transition from powder to solid, the surface tension induced by temperature gradient, and the movement of laser beam power with a Gaussian energy distribution are taken into account in the physical model. The effect of the applied linear energy density (LED) on the temperature distribution, melt pool dimensions, behaviors of gaseous bubbles and resultant densification activity has been investigated. It shows that the temperature distribution is asymmetric with respect to the laser beam scanning area. The center of the melt pool does not locate at the center of the laser beam but slightly shifts towards the side of the decreasing X-axis. The dimensions of the melt pool are in sizes of hundreds of micrometers and increase with the applied LED. For an optimized LED of 17.5 kJ/m, an enhanced efficiency of gas removal from the melt pool is realized, and the maximum relative density of laser processed powder reaches 96%. As the applied LED surpasses 20 kJ/m, Marangoni flow tends to retain the entrapped gas bubbles. The flow pattern has a tendency to deposit the gas bubbles at the melt pool bottom or to agglomerate gas bubbles by the rotating flow in the melt pool, resulting in a higher porosity in laser processed powder. The relative density and corresponding pore size and morphology are experimentally acquired, which are in a good agreement with the results predicted by simulation

  1. CFD simulation of a dry scroll vacuum pump with clearances, solid heating and thermal deformation

    Science.gov (United States)

    Spille-Kohoff, A.; Hesse, J.; Andres, R.; Hetze, F.

    2017-08-01

    Although dry scroll vacuum pumps (DSPV) are essential devices in many different industrial processes, the CFD simulation of such pumps is not widely used and often restricted to simplified cases due to its complexity: The working principle with a fixed and an orbiting scroll leads to working chambers that are changing in time and are connected through moving small radial and axial clearances in the range of 10 to 100 μm. Due to the low densities and low mass flow rates in vacuum pumps, it is important to include heat transfer towards and inside the solid components. Solid heating is very slow compared to the scroll revolution speed and the gas behaviour, thus a special workflow is necessary to reach the working conditions in reasonable simulation times. The resulting solid temperature is then used to compute the thermal deformation, which usually results in gap size changes that influence leakage flows. In this paper, setup steps and results for the simulation of a DSVP are shown and compared to theoretical and experimental results. The time-varying working chambers are meshed with TwinMesh, a hexahedral meshing programme for positive displacement machines. The CFD simulation with ANSYS CFX accounts for gas flow with compressibility and turbulence effects, conjugate heat transfer between gas and solids, and leakage flows through the clearances. Time-resolved results for torques, chamber pressure, mass flow, and heat flow between gas and solids are shown, as well as time- and space-resolved results for pressure, velocity, and temperature for different operating conditions of the DSVP.

  2. A Temperature-Dependent Thermal Model of IGBT Modules Suitable for Circuit-Level Simulations

    DEFF Research Database (Denmark)

    Wu, Rui; Wang, Huai; Ma, Ke

    2014-01-01

    Thermal impedance of IGBT modules may vary with operating conditions due to that the thermal conductivity and heat capacity of materials are temperature dependent. This paper proposes a Cauer thermal model for a 1700 V/1000 A IGBT module with temperature-dependent thermal resistances and thermal ...... relevant reliability aspect performance. A test bench is built up with an ultra-fast infrared (IR) camera to validate the proposed thermal impedance model....

  3. Effect of Particle Orientation during Thermal Processing of Canned Peach Halves: A CFD Simulation

    Directory of Open Access Journals (Sweden)

    Adreas Dimou

    2014-05-01

    Full Text Available The objective of this work was to apply Computational Fluid Dynamics (CFD to study the effect of particle orientation on fluid flow, temperature evolution, as well as microbial destruction, during thermal processing of still cans filled with peach halves in sugar syrup. A still metal can with four peach halves in 20% sugar syrup was heated at 100 °C for 20 min and thereafter cooled at 20 °C. Infinite heat transfer coefficient between heating medium and external can wall was considered. Peach halves were orderly placed inside the can with the empty space originally occupied by the kernel facing, in all peaches, either towards the top or the bottom of the can. In a third situation, the can was placed horizontally. Simulations revealed differences on particle temperature profiles, as well as process F values and critical point location, based on their orientation. At their critical points, peach halves with the kernel space facing towards the top of the can heated considerably slower and cooled faster than the peaches having their kernel space facing towards the bottom of the can. The horizontal can case exhibited intermediate cooling but the fastest heating rates and the highest F process values among the three cases examined. The results of this study could be used in designing of thermal processes with optimal product quality.

  4. Characterization of coarse bainite transformation in low carbon steel during simulated welding thermal cycles

    Energy Technology Data Exchange (ETDEWEB)

    Lan, Liangyun, E-mail: lanly@me.neu.edu.cn [School of Mechanical Engineering and Automation, Northeastern University, Shenyang 110819 (China); State Key Laboratory of Rolling Technology and Automation, Northeastern University, Shenyang 110819 (China); Kong, Xiangwei [School of Mechanical Engineering and Automation, Northeastern University, Shenyang 110819 (China); Qiu, Chunlin [State Key Laboratory of Rolling Technology and Automation, Northeastern University, Shenyang 110819 (China)

    2015-07-15

    Coarse austenite to bainite transformation in low carbon steel under simulated welding thermal cycles was morphologically and crystallographically characterized by means of optical microscope, transmission electron microscope and electron backscattered diffraction technology. The results showed that the main microstructure changes from a mixture of lath martensite and bainitic ferrite to granular bainite with the increase in cooling time. The width of bainitic laths also increases gradually with the cooling time. For a welding thermal cycle with relatively short cooling time (e.g. t{sub 8/5} is 30 s), the main mode of variant grouping at the scale of individual prior austenite grains changes from Bain grouping to close-packed plane grouping with the progress of phase transformation, which results in inhomogeneous distribution of high angle boundaries. As the cooling time is increased, the Bain grouping of variants becomes predominant mode, which enlarges the effective grain size of product phase. - Highlights: • Main microstructure changes and the width of lath structure increases with cooling time. • Variant grouping changes from Bain zone to close-packed plane grouping with the transformation. • The change of variant grouping results in uneven distribution of high angle grain boundary. • Bain grouping is main mode for large heat input, which lowers the density of high angle boundary.

  5. Characterization of coarse bainite transformation in low carbon steel during simulated welding thermal cycles

    International Nuclear Information System (INIS)

    Lan, Liangyun; Kong, Xiangwei; Qiu, Chunlin

    2015-01-01

    Coarse austenite to bainite transformation in low carbon steel under simulated welding thermal cycles was morphologically and crystallographically characterized by means of optical microscope, transmission electron microscope and electron backscattered diffraction technology. The results showed that the main microstructure changes from a mixture of lath martensite and bainitic ferrite to granular bainite with the increase in cooling time. The width of bainitic laths also increases gradually with the cooling time. For a welding thermal cycle with relatively short cooling time (e.g. t 8/5 is 30 s), the main mode of variant grouping at the scale of individual prior austenite grains changes from Bain grouping to close-packed plane grouping with the progress of phase transformation, which results in inhomogeneous distribution of high angle boundaries. As the cooling time is increased, the Bain grouping of variants becomes predominant mode, which enlarges the effective grain size of product phase. - Highlights: • Main microstructure changes and the width of lath structure increases with cooling time. • Variant grouping changes from Bain zone to close-packed plane grouping with the transformation. • The change of variant grouping results in uneven distribution of high angle grain boundary. • Bain grouping is main mode for large heat input, which lowers the density of high angle boundary

  6. Numerical simulation of heat transfer in particulate flows using a thermal immersed boundary lattice Boltzmann method

    International Nuclear Information System (INIS)

    Eshghinejadfard, A.; Thévenin, D.

    2016-01-01

    In the current work the lattice Boltzmann method (LBM) is applied to investigate heat transfer phenomena in particulate flows. Different cases involving both two- and three-dimensional configurations are studied. For the fluid–particle interactions the direct-forcing and direct-heating immersed boundary (IB) method are applied to calculate the hydrodynamic force and energy exchange between the particle and the fluid, respectively. This Eulerian–Lagrangian approach captures the fluid flow around the particles with high accuracy. The Boussinesq approximation is applied to the coupling between flow and temperature fields. The energy equation is solved using a double-population model in the LBM framework. Numerical simulations reveal that this thermal IB-LBM can accurately predict the particle motion. A particularly interesting case involves particles with a variable temperature, where the competition between gravity and buoyancy induced by the temperature gradient can make particles sink or rise. It is observed that cold particles settle down faster than hot particles. Also, the thermal IB-LBM has been implemented for a collection of spherical particles. In this manner, the behavior of catalyst particles can be accurately predicted, as demonstrated in the last application, involving 60 particles interacting in an enclosure.

  7. Performance and Simulation of a Stand-alone Parabolic Trough Solar Thermal Power Plant

    Science.gov (United States)

    Mohammad, S. T.; Al-Kayiem, H. H.; Assadi, M. K.; Gilani, S. I. U. H.; Khlief, A. K.

    2018-05-01

    In this paper, a Simulink® Thermolib Model has been established for simulation performance evaluation of Stand-alone Parabolic Trough Solar Thermal Power Plant in Universiti Teknologi PETRONAS, Malaysia. This paper proposes a design of 1.2 kW parabolic trough power plant. The model is capable to predict temperatures at any system outlet in the plant, as well as the power output produced. The conditions that are taken into account as input to the model are: local solar radiation and ambient temperatures, which have been measured during the year. Other parameters that have been input to the model are the collector’s sizes, location in terms of latitude and altitude. Lastly, the results are presented in graphical manner to describe the analysed variations of various outputs of the solar fields obtained, and help to predict the performance of the plant. The developed model allows an initial evaluation of the viability and technical feasibility of any similar solar thermal power plant.

  8. Development of numerical simulation technology for high resolution thermal hydraulic analysis

    International Nuclear Information System (INIS)

    Yoon, Han Young; Kim, K. D.; Kim, B. J.; Kim, J. T.; Park, I. K.; Bae, S. W.; Song, C. H.; Lee, S. W.; Lee, S. J.; Lee, J. R.; Chung, S. K.; Chung, B. D.; Cho, H. K.; Choi, S. K.; Ha, K. S.; Hwang, M. K.; Yun, B. J.; Jeong, J. J.; Sul, A. S.; Lee, H. D.; Kim, J. W.

    2012-04-01

    A realistic simulation of two phase flows is essential for the advanced design and safe operation of a nuclear reactor system. The need for a multi dimensional analysis of thermal hydraulics in nuclear reactor components is further increasing with advanced design features, such as a direct vessel injection system, a gravity driven safety injection system, and a passive secondary cooling system. These features require more detailed analysis with enhanced accuracy. In this regard, KAERI has developed a three dimensional thermal hydraulics code, CUPID, for the analysis of transient, multi dimensional, two phase flows in nuclear reactor components. The code was designed for use as a component scale code, and/or a three dimensional component, which can be coupled with a system code. This report presents an overview of the CUPID code development and preliminary assessment, mainly focusing on the numerical solution method and its verification and validation. It was shown that the CUPID code was successfully verified. The results of the validation calculations show that the CUPID code is very promising, but a systematic approach for the validation and improvement of the physical models is still needed

  9. CFD (Computational Fluid Dynamics) simulators and thermal cracking of heavy oil and ultraheavy residues using microreactor

    Energy Technology Data Exchange (ETDEWEB)

    Jardini, Andre L.; Bineli, Aulus R.R.; Viadana, Adriana M.; Maciel, Maria Regina Wolf; Maciel Filho, Rubens [State University of Campinas (UNICAMP), SP (Brazil). School of Chemical Engineering; Medina, Lilian C.; Gomes, Alexandre de O. [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES); Barros, Ricardo S. [University Foundation Jose Bonifacio (FUJB), Rio de Janeiro, RJ (Brazil)

    2008-07-01

    In this paper, the design of microreactor with microfluidics channels has been carried out in Computer Aided Design Software (CAD) and constructed in rapid prototyping system to be used in chemical reaction processing of the heavy oil fractions. The flow pattern properties of microreactor (fluid dynamics, mixing behavior) have been considered through CFD (computational fluid dynamics) simulations. CFD calculations are also used to study the design and specification of new microreactor developments. The potential advantages of using a microreactor include better control of reaction conditions, improved safety and portability. A more detailed crude assay of the raw national oil, whose importance was evidenced by PETROBRAS/CENPES allows establishing the optimum strategies and processing conditions, aiming at a maximum utilization of the heavy oil fractions, towards valuable products. These residues are able to be processed in microreactor, in which conventional process like as hydrotreating, catalytic and thermal cracking may be carried out in a much more intensified fashion. The whole process development involves a prior thermal study to define the possible operating conditions for a particular task, the microreactor design through computational fluid dynamics and construction using rapid prototyping. This gives high flexibility for process development, shorter time, and costumer/task oriented process/product development. (author)

  10. Numerical simulation of time-dependent deformations under hygral and thermal transient conditions

    International Nuclear Information System (INIS)

    Roelfstra, P.E.

    1987-01-01

    Some basic concepts of numerical simulation of the formation of the microstructure of HCP are outlined. The aim is to replace arbitrary terms like aging by more realistic terms like bond density in the xerogel and bonds between hydrating particles of HCP. Actual state parameters such as temperature, humidity and degree of hydration can be determined under transient hygral and thermal conditions by solving numerically a series of appropriate coupled differential equations with given boundary conditions. Shrinkage of a composite structure without crack formation, based on calculated moisture distributions, has been determined with numerical concrete codes. The influence of crack formation, tensile strain-hardening and softening on the total deformation of a quasi-homogeneous drying material has been studied by means of model based on FEM. The difference between shrinkage without crack formation and shrinkage with crack formation can be quantified. Drying shrinkage and creep of concrete cannot be separated. The total deformation depends on the superimposed stress fields. Transient hygral deformation can be realistically predicted if the concept of point properties is applied rigorously. Transient thermal deformation has to be dealt with in the same way. (orig./HP)

  11. Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

    Science.gov (United States)

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

    2017-01-01

    We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

  12. Simulation of thermal phenomena expected in fuel coolant interactions in LMFBRs

    International Nuclear Information System (INIS)

    Yasin, J.

    1976-12-01

    High pressures and mechanical work may result when thermal energy is transferred from molten fuel to the coolant in a Liquid Metal Fast Breeder Reactor core meltdown accident. Two aspects of the interaction are examined in the thesis. First, the formation of high pressure pulses termed ''Vapor Explosions,'' and second, the distribution of the molten material into smaller particles, termed ''Fragmentation'', are studied. To understand the nature of the interaction simulant materials were used. Molten bismuth, molten tin and molten glass were dropped into water under various conditions. The interactions were recorded using multiflash and high speed photographing techniques. The pressure pulses were measured using transducers and the debris was examined by photographing them with an electron microscope. It was observed that vapor explosions have thresholds which depend on the material being dropped, its temperature and the bath conditions. The vapor explosions were enhanced by stratifying the bath. It was also noticed that the intensity of the vapor explosion depends on the way the molten drop fragmented in the initial stages of the interaction. The experiments with glass showed that the mode of fragmentation is important in determining when and if a vapor explosion is to be expected. The glass fragmented extensively but without any accompanying vapor explosion. The electron microscope photographs of the glass debris showed that thermal stress and surface tension phenomenon are apparently the cause of the fragmentation

  13. A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

    Science.gov (United States)

    Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

    2005-03-01

    In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

  14. Centrifugal compressor fault diagnosis based on qualitative simulation and thermal parameters

    Science.gov (United States)

    Lu, Yunsong; Wang, Fuli; Jia, Mingxing; Qi, Yuanchen

    2016-12-01

    This paper concerns fault diagnosis of centrifugal compressor based on thermal parameters. An improved qualitative simulation (QSIM) based fault diagnosis method is proposed to diagnose the faults of centrifugal compressor in a gas-steam combined-cycle power plant (CCPP). The qualitative models under normal and two faulty conditions have been built through the analysis of the principle of centrifugal compressor. To solve the problem of qualitative description of the observations of system variables, a qualitative trend extraction algorithm is applied to extract the trends of the observations. For qualitative states matching, a sliding window based matching strategy which consists of variables operating ranges constraints and qualitative constraints is proposed. The matching results are used to determine which QSIM model is more consistent with the running state of system. The correct diagnosis of two typical faults: seal leakage and valve stuck in the centrifugal compressor has validated the targeted performance of the proposed method, showing the advantages of fault roots containing in thermal parameters.

  15. Evaluation of Three Parametric Models for Estimating Directional Thermal Radiation from Simulation, Airborne, and Satellite Data

    Directory of Open Access Journals (Sweden)

    Xiangyang Liu

    2018-03-01

    Full Text Available An appropriate model to correct thermal radiation anisotropy is important for the wide applications of land surface temperature (LST. This paper evaluated the performance of three published directional thermal radiation models—the Roujean–Lagouarde (RL model, the Bidirectional Reflectance Distribution Function (BRDF model, and the Vinnikov model—at canopy and pixel scale using simulation, airborne, and satellite data. The results at canopy scale showed that (1 the three models could describe directional anisotropy well and the Vinnikov model performed the best, especially for erectophile canopy or low leaf area index (LAI; (2 the three models reached the highest fitting accuracy when the LAI varied from 1 to 2; and (3 the capabilities of the three models were all restricted by the hotspot effect, plant height, plant spacing, and three-dimensional structure. The analysis at pixel scale indicated a consistent result that the three models presented a stable effect both on verification and validation, but the Vinnikov model had the best ability in the erectophile canopy (savannas and grassland and low LAI (barren or sparsely vegetated areas. Therefore, the Vinnikov model was calibrated for different land cover types to instruct the angular correction of LST. Validation with the Surface Radiation Budget Network (SURFRAD-measured LST demonstrated that the root mean square (RMSE of the Moderate Resolution Imaging Spectroradiometer (MODIS LST product could be decreased by 0.89 K after angular correction. In addition, the corrected LST showed better spatial uniformity and higher angular correlation.

  16. A correction scheme for thermal conductivity measurement using the comparative cut-bar technique based on 3D numerical simulation

    International Nuclear Information System (INIS)

    Xing, Changhu; Folsom, Charles; Jensen, Colby; Ban, Heng; Marshall, Douglas W

    2014-01-01

    As an important factor affecting the accuracy of thermal conductivity measurement, systematic (bias) error in the guarded comparative axial heat flow (cut-bar) method was mostly neglected by previous researches. This bias is primarily due to the thermal conductivity mismatch between sample and meter bars (reference), which is common for a sample of unknown thermal conductivity. A correction scheme, based on finite element simulation of the measurement system, was proposed to reduce the magnitude of the overall measurement uncertainty. This scheme was experimentally validated by applying corrections on four types of sample measurements in which the specimen thermal conductivity is much smaller, slightly smaller, equal and much larger than that of the meter bar. As an alternative to the optimum guarding technique proposed before, the correction scheme can be used to minimize the uncertainty contribution from the measurement system with non-optimal guarding conditions. It is especially necessary for large thermal conductivity mismatches between sample and meter bars. (paper)

  17. Modeling and Simulation of Thermal Performance of Solar-Assisted Air Conditioning System under Iraq Climate

    Directory of Open Access Journals (Sweden)

    Najim Abid Jassim

    2016-08-01

    Full Text Available In Iraq most of the small buildings deployed a conventional air conditioning technology which typically uses electrically driven compressor systems which exhibits several clear disadvantages such as high energy consumption, high electricity at peak loads. In this work a thermal performance of air conditioning system combined with a solar collector is investigated theoretically. The hybrid air conditioner consists of a semi hermetic compressor, water cooled shell and tube condenser, thermal expansion valve and coil with tank evaporator. The theoretical analysis included a simulation for the solar assisted air-conditioning system using EES software to analyze the effect of different parameters on the power consumption of compressor and the performance of system. The results show that refrigeration capacity is increased from 2.7 kW to 4.4kW, as the evaporating temperature increased from 3 to 18 ºC. Also the power consumption is increased from 0.89 kW to 1.08 kW. So the COP of the system is increased from 3.068 to 4.117. The power consumption is increased from 0.897 kW to 1.031 kW as the condensing temperature increased from 35 ºC to 45 ºC. While the COP is decreased from 3.89 to 3.1. The power consumption is decreased from 1.05 kW to 0.7kW as the solar radiation intensity increased from 300 W/m2 to 1000 W/m2, while the COP is increased from 3.15 to 4.8. A comparison between the simulation and available experimental data showed acceptable agreement.

  18. An efficient modeling method for thermal stratification simulation in a BWR suppression pool

    Energy Technology Data Exchange (ETDEWEB)

    Haihua Zhao; Ling Zou; Hongbin Zhang; Hua Li; Walter Villanueva; Pavel Kudinov

    2012-09-01

    The suppression pool in a BWR plant not only is the major heat sink within the containment system, but also provides major emergency cooling water for the reactor core. In several accident scenarios, such as LOCA and extended station blackout, thermal stratification tends to form in the pool after the initial rapid venting stage. Accurately predicting the pool stratification phenomenon is important because it affects the peak containment pressure; and the pool temperature distribution also affects the NPSHa (Available Net Positive Suction Head) and therefore the performance of the pump which draws cooling water back to the core. Current safety analysis codes use 0-D lumped parameter methods to calculate the energy and mass balance in the pool and therefore have large uncertainty in prediction of scenarios in which stratification and mixing are important. While 3-D CFD methods can be used to analyze realistic 3D configurations, these methods normally require very fine grid resolution to resolve thin substructures such as jets and wall boundaries, therefore long simulation time. For mixing in stably stratified large enclosures, the BMIX++ code has been developed to implement a highly efficient analysis method for stratification where the ambient fluid volume is represented by 1-D transient partial differential equations and substructures such as free or wall jets are modeled with 1-D integral models. This allows very large reductions in computational effort compared to 3-D CFD modeling. The POOLEX experiments at Finland, which was designed to study phenomena relevant to Nordic design BWR suppression pool including thermal stratification and mixing, are used for validation. GOTHIC lumped parameter models are used to obtain boundary conditions for BMIX++ code and CFD simulations. Comparison between the BMIX++, GOTHIC, and CFD calculations against the POOLEX experimental data is discussed in detail.

  19. PIC Simulations of Velocity-space Instabilities in a Decreasing Magnetic Field: Viscosity and Thermal Conduction

    Science.gov (United States)

    Riquelme, Mario; Quataert, Eliot; Verscharen, Daniel

    2018-02-01

    We use particle-in-cell (PIC) simulations of a collisionless, electron–ion plasma with a decreasing background magnetic field, {\\boldsymbol{B}}, to study the effect of velocity-space instabilities on the viscous heating and thermal conduction of the plasma. If | {\\boldsymbol{B}}| decreases, the adiabatic invariance of the magnetic moment gives rise to pressure anisotropies with {p}| | ,j> {p}\\perp ,j ({p}| | ,j and {p}\\perp ,j represent the pressure of species j (electron or ion) parallel and perpendicular to B ). Linear theory indicates that, for sufficiently large anisotropies, different velocity-space instabilities can be triggered. These instabilities in principle have the ability to pitch-angle scatter the particles, limiting the growth of the anisotropies. Our simulations focus on the nonlinear, saturated regime of the instabilities. This is done through the permanent decrease of | {\\boldsymbol{B}}| by an imposed plasma shear. We show that, in the regime 2≲ {β }j≲ 20 ({β }j\\equiv 8π {p}j/| {\\boldsymbol{B}}{| }2), the saturated ion and electron pressure anisotropies are controlled by the combined effect of the oblique ion firehose and the fast magnetosonic/whistler instabilities. These instabilities grow preferentially on the scale of the ion Larmor radius, and make {{Δ }}{p}e/{p}| | ,e≈ {{Δ }}{p}i/{p}| | ,i (where {{Δ }}{p}j={p}\\perp ,j-{p}| | ,j). We also quantify the thermal conduction of the plasma by directly calculating the mean free path of electrons, {λ }e, along the mean magnetic field, finding that {λ }e depends strongly on whether | {\\boldsymbol{B}}| decreases or increases. Our results can be applied in studies of low-collisionality plasmas such as the solar wind, the intracluster medium, and some accretion disks around black holes.

  20. Defining a methodology for benchmarking spectrum unfolding codes

    International Nuclear Information System (INIS)

    Meyer, W.; Kirmser, P.G.; Miller, W.H.; Hu, K.K.

    1976-01-01

    It has long been recognized that different neutron spectrum unfolding codes will produce significantly different results when unfolding the same measured data. In reviewing the results of such analyses it has been difficult to determine which result if any is the best representation of what was measured by the spectrometer detector. A proposal to develop a benchmarking procedure for spectrum unfolding codes is presented. The objective of the procedure will be to begin to develop a methodology and a set of data with a well established and documented result that could be used to benchmark and standardize the various unfolding methods and codes. It is further recognized that development of such a benchmark must involve a consensus of the technical community interested in neutron spectrum unfolding

  1. The simulation methods based on 1D/3D collaborative computing for the vehicle integrated thermal management

    International Nuclear Information System (INIS)

    Lu, Pengyu; Gao, Qing; Wang, Yan

    2016-01-01

    Highlights: • A 1D/3D collaborative computing simulation method for vehicle thermal management. • Analyzing the influence of the thermodynamic systems and the engine compartment geometry on the vehicle performance. • Providing the basis for the matching energy consumptions of thermodynamic systems in the underhood. - Abstract: The vehicle integrated thermal management containing the engine cooling circuit, the air conditioning circuit, the turbocharged inter-cooled circuit, the engine lubrication circuit etc. is the important means of enhancing power performance, promoting economy, saving energy and reducing emission. In this study, a 1D/3D collaborative simulation method is proposed with the engine cooling circuit and air conditioning circuit being the research object. The mathematical characterizations of the multiple thermodynamic systems are achieved by 1D calculation and the underhood structure is described by 3D simulation. Through analyzing the engine compartment integrated heat transfer process, the model of the integrated thermal management system is formed after coupling the cooling circuit and air conditioning circuit. This collaborative simulation method establishes structured correlation of engine-cooling and air conditioning thermal dissipation in the engine compartment, comprehensively analyzing the engine working process and air condition operational process in order to research the interaction effect of them. In the calculation examples, to achieve the integrated optimization of multiple thermal systems design and performance prediction, by describing the influence of system thermomechanical parameters and operating duty to underhood heat transfer process, performance evaluation of the engine cooling circuit and the air conditioning circuit are realized.

  2. Simulation study of multi-step model algorithmic control of the nuclear reactor thermal power tracking system

    International Nuclear Information System (INIS)

    Shi Xiaoping; Xu Tianshu

    2001-01-01

    The classical control method is usually hard to ensure the thermal power tracking accuracy, because the nuclear reactor system is a complex nonlinear system with uncertain parameters and disturbances. A sort of non-parameter model is constructed with the open-loop impulse response of the system. Furthermore, a sort of thermal power tracking digital control law is presented using the multi-step model algorithmic control principle. The control method presented had good tracking performance and robustness. It can work despite the existence of unmeasurable disturbances. The simulation experiment testifies the correctness and effectiveness of the method. The high accuracy matching between the thermal power and the referenced load is achieved

  3. DESIGN OF AN EDUCATIONAL SIMULATION PROGRAM USING DIGITAL VIDEO PROCESSING TO DETERMINE THE THERMAL EXPANSION OF MATERIALS

    Directory of Open Access Journals (Sweden)

    V. Gökhan BÖCEKÇİ

    2013-01-01

    Full Text Available The present report describes the realization of an educational simulation program to determine the amount of linear thermal expansion in experimental materials. An interferogram signal derived from an interferometric measurement system was modeled as a video signal in a computer environment. A simulation program was designed from the model signal in order to detect the amount of expansion in materials. The simulation program determined the amount of to heat by detecting the number of fringes in interferogram video signals of the material. This simulation program facilitated experimental studies n academic institutions which are deprived of interferometric measurement systems.

  4. Simulation of thermal-neutron-induced single-event upset using particle and heavy-ion transport code system

    International Nuclear Information System (INIS)

    Arita, Yutaka; Kihara, Yuji; Mitsuhasi, Junichi; Niita, Koji; Takai, Mikio; Ogawa, Izumi; Kishimoto, Tadafumi; Yoshihara, Tsutomu

    2007-01-01

    The simulation of a thermal-neutron-induced single-event upset (SEU) was performed on a 0.4-μm-design-rule 4 Mbit static random access memory (SRAM) using particle and heavy-ion transport code system (PHITS): The SEU rates obtained by the simulation were in very good agreement with the result of experiments. PHITS is a useful tool for simulating SEUs in semiconductor devices. To further improve the accuracy of the simulation, additional methods for tallying the energy deposition are required for PHITS. (author)

  5. Unfolding study of a trimeric membrane protein AcrB.

    Science.gov (United States)

    Ye, Cui; Wang, Zhaoshuai; Lu, Wei; Wei, Yinan

    2014-07-01

    The folding of a multi-domain trimeric α-helical membrane protein, Escherichia coli inner membrane protein AcrB, was investigated. AcrB contains both a transmembrane domain and a large periplasmic domain. Protein unfolding in sodium dodecyl sulfate (SDS) and urea was monitored using the intrinsic fluorescence and circular dichroism spectroscopy. The SDS denaturation curve displayed a sigmoidal profile, which could be fitted with a two-state unfolding model. To investigate the unfolding of separate domains, a triple mutant was created, in which all three Trp residues in the transmembrane domain were replaced with Phe. The SDS unfolding profile of the mutant was comparable to that of the wild type AcrB, suggesting that the observed signal change was largely originated from the unfolding of the soluble domain. Strengthening of trimer association through the introduction of an inter-subunit disulfide bond had little effect on the unfolding profile, suggesting that trimer dissociation was not the rate-limiting step in unfolding monitored by fluorescence emission. Under our experimental condition, AcrB unfolding was not reversible. Furthermore, we experimented with the refolding of a monomeric mutant, AcrBΔloop , from the SDS unfolded state. The CD spectrum of the refolded AcrBΔloop superimposed well onto the spectra of the original folded protein, while the fluorescence spectrum was not fully recovered. In summary, our results suggested that the unfolding of the trimeric AcrB started with a local structural rearrangement. While the refolding of secondary structure in individual monomers could be achieved, the re-association of the trimer might be the limiting factor to obtain folded wild-type AcrB. © 2014 The Protein Society.

  6. Simulation model of stratified thermal energy storage tank using finite difference method

    Science.gov (United States)

    Waluyo, Joko

    2016-06-01

    Stratified TES tank is normally used in the cogeneration plant. The stratified TES tanks are simple, low cost, and equal or superior in thermal performance. The advantage of TES tank is that it enables shifting of energy usage from off-peak demand for on-peak demand requirement. To increase energy utilization in a stratified TES tank, it is required to build a simulation model which capable to simulate the charging phenomenon in the stratified TES tank precisely. This paper is aimed to develop a novel model in addressing the aforementioned problem. The model incorporated chiller into the charging of stratified TES tank system in a closed system. The model was developed in one-dimensional type involve with heat transfer aspect. The model covers the main factors affect to degradation of temperature distribution namely conduction through the tank wall, conduction between cool and warm water, mixing effect on the initial flow of the charging as well as heat loss to surrounding. The simulation model is developed based on finite difference method utilizing buffer concept theory and solved in explicit method. Validation of the simulation model is carried out using observed data obtained from operating stratified TES tank in cogeneration plant. The temperature distribution of the model capable of representing S-curve pattern as well as simulating decreased charging temperature after reaching full condition. The coefficient of determination values between the observed data and model obtained higher than 0.88. Meaning that the model has capability in simulating the charging phenomenon in the stratified TES tank. The model is not only capable of generating temperature distribution but also can be enhanced for representing transient condition during the charging of stratified TES tank. This successful model can be addressed for solving the limitation temperature occurs in charging of the stratified TES tank with the absorption chiller. Further, the stratified TES tank can be

  7. Optimal control of building storage systems using both ice storage and thermal mass – Part I: Simulation environment

    International Nuclear Information System (INIS)

    Hajiah, Ali; Krarti, Moncef

    2012-01-01

    Highlights: ► A simulation environment is described to account for both passive and active thermal energy storage (TES) systems. ► Laboratory testing results have been used to validate the predictions from the simulation environment. ► Optimal control strategies for TES systems have been developed as part of the simulation environment. - Abstract: This paper presents a simulation environment that can evaluate the benefits of using simultaneously building thermal capacitance and ice storage system to reduce total operating costs including energy and demand charges while maintaining adequate occupant comfort conditions within commercial buildings. The building thermal storage is controlled through pre-cooling strategies by setting space indoor air temperatures. The ice storage system is controlled by charging the ice tank and operating the chiller during low electrical charge periods and melting the ice during on-peak periods. Optimal controls for both building thermal storage and ice storage are developed to minimize energy charges, demand charges, or combined energy and demand charges. The results obtained from the simulation environment are validated using laboratory testing for an optimal controller.

  8. Development of new NSSS thermal-hydraulic model for Korean standard nuclear power plant(UCN-3/4) simulator

    International Nuclear Information System (INIS)

    Kim, Kyung Doo; Jeong, Jae Jun

    2001-09-01

    The NSSS thermal-hydraulic programs installed in the domestic full-scope power plant simulators were provided in early 1980s by foreign vendors. Because of limited computational capability at that time, they usually adopt very simplified physical models for a real-time simulation of NSSS thermal-hydraulic phenomena, which entails inaccurate results and the possibility of so-called 'negative training', especially for complicated two-phase flows in the reactor coolant system. To resolve the problem, we developed a realistic NSSS T/H program (named 'ARTS-UCN' code) for the improvement of the Korean Standard Nuclear Power Plant full-scope simulator. ARTS Code, developed as an NSSS T/H model for the KNPEC no. 2 simulator using the RETRAN03 code, was selected as a reference code for ARTS-UCN code development. For the development of ARTS, the followings have been performed: - Improvement of the robustness of RETRAN - Improvement of the real-time simulation capability of RETRAN - Optimum input data generation for the NSSS simulation - New model development that cannot be efficiently modeled by RETRAN - Assessment of the ARTS code. The systematic assessment of ARTS has been conducted in both personal computers (Windows 98, Visual fortran) and the simulator development environment (Windows NT, GSE simulator development tool). The results were resonable in terms of accuracy, real-time simulation and robustness

  9. Improved non-local electron thermal transport model for two-dimensional radiation hydrodynamics simulations

    International Nuclear Information System (INIS)

    Cao, Duc; Moses, Gregory; Delettrez, Jacques

    2015-01-01

    An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester

  10. Improved non-local electron thermal transport model for two-dimensional radiation hydrodynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Duc; Moses, Gregory [University of Wisconsin—Madison, 1500 Engineering Drive, Madison, Wisconsin 53706 (United States); Delettrez, Jacques [Laboratory for Laser Energetics of the University of Rochester, 250 East River Road, Rochester, New York 14623 (United States)

    2015-08-15

    An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.

  11. Scaling for integral simulation of thermal-hydraulic phenomena in SBWR during LOCA

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, M.; Revankar, S.T.; Dowlati, R [Purdue Univ., West Layfayette, IN (United States)] [and others

    1995-09-01

    A scaling study has been conducted for simulation of thermal-hydraulic phenomena in the Simplified Boiling Water Reactor (SBWR) during a loss of coolant accident. The scaling method consists of a three-level scaling approach. The integral system scaling (global scaling or top down approach) consists of two levels, the integral response function scaling which forms the first level, and the control volume and boundary flow scaling which forms the second level. The bottom up approach is carried out by local phenomena scaling which forms the third level scaling. Based on this scaling study the design of the model facility called Purdue University Multi-Dimensional Integral Test Assembly (PUMA) has been carried out. The PUMA facility has 1/4 height and 1/100 area ratio scaling, corresponding to the volume scaling of 1/400. The PUMA power scaling based on the integral scaling is 1/200. The present scaling method predicts that PUMA time scale will be one-half that of the SBWR. The system pressure for PUMA is full scale, therefore, a prototypic pressure is maintained. PUMA is designed to operate at and below 1.03 MPa (150 psi), which allows it to simulate the prototypic SBWR accident conditions below 1.03 MPa (150 psi). The facility includes models for all components of importance.

  12. PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave

    International Nuclear Information System (INIS)

    Dieckmann, M E; Sarri, G; Kourakis, I; Borghesi, M; Murphy, G C; O'C Drury, L; Bret, A; Romagnani, L; Ynnerman, A

    2012-01-01

    The expansion of an initially unmagnetized planar rarefaction wave has recently been shown to trigger a thermal anisotropy-driven Weibel instability (TAWI), which can generate magnetic fields from noise levels. It is examined here whether the TAWI can also grow in a curved rarefaction wave. The expansion of an initially unmagnetized circular plasma cloud, which consists of protons and hot electrons, into a vacuum is modelled for this purpose with a two-dimensional particle-in-cell (PIC) simulation. It is shown that the momentum transfer from the electrons to the radially accelerating protons can indeed trigger a TAWI. Radial current channels form and the aperiodic growth of a magnetowave is observed, which has a magnetic field that is oriented orthogonal to the simulation plane. The induced electric field implies that the electron density gradient is no longer parallel to the electric field. Evidence is presented here that this electric field modification triggers a second magnetic instability, which results in a rotational low-frequency magnetowave. The relevance of the TAWI is discussed for the growth of small-scale magnetic fields in astrophysical environments, which are needed to explain the electromagnetic emissions by astrophysical jets. It is outlined how this instability could be examined experimentally. (paper)

  13. PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave

    Science.gov (United States)

    Dieckmann, M. E.; Sarri, G.; Murphy, G. C.; Bret, A.; Romagnani, L.; Kourakis, I.; Borghesi, M.; Ynnerman, A.; O'C Drury, L.

    2012-02-01

    The expansion of an initially unmagnetized planar rarefaction wave has recently been shown to trigger a thermal anisotropy-driven Weibel instability (TAWI), which can generate magnetic fields from noise levels. It is examined here whether the TAWI can also grow in a curved rarefaction wave. The expansion of an initially unmagnetized circular plasma cloud, which consists of protons and hot electrons, into a vacuum is modelled for this purpose with a two-dimensional particle-in-cell (PIC) simulation. It is shown that the momentum transfer from the electrons to the radially accelerating protons can indeed trigger a TAWI. Radial current channels form and the aperiodic growth of a magnetowave is observed, which has a magnetic field that is oriented orthogonal to the simulation plane. The induced electric field implies that the electron density gradient is no longer parallel to the electric field. Evidence is presented here that this electric field modification triggers a second magnetic instability, which results in a rotational low-frequency magnetowave. The relevance of the TAWI is discussed for the growth of small-scale magnetic fields in astrophysical environments, which are needed to explain the electromagnetic emissions by astrophysical jets. It is outlined how this instability could be examined experimentally.

  14. Thermal and fluid simulation of the environment under the dashboard, compared with measurement data

    Science.gov (United States)

    Popescu, C. S.; Sirbu, G. M.; Nita, I. C.

    2017-10-01

    The development of vehicles during the last decade is related to the evolution of electronic systems added in order to increase the safety and the number of services available on board, such as advanced driver-assistance systems (ADAS). Cars already have a complex computer network, with electronic control units (ECUs) connected to each other and receiving information from many sensors. The ECUs transfer an important heat power to the environment, while proper operating conditions need to be provided to ensure their reliability at high and low temperature, vibration and humidity. In a car cabin, electronic devices are usually placed in the compartment under the dashboard, an enclosed space designed for functional purposes. In the early stages of the vehicle design it has become necessary to analyse the environment under dashboard, by the use of Computational Fluid Dynamics (CFD) simulations and measurements. This paper presents the cooling of heat sinks by natural convection, a thermal and fluid simulation of the environment under the dashboard compared with test data.

  15. Improved non-local electron thermal transport model for two-dimensional radiation hydrodynamics simulations

    Science.gov (United States)

    Cao, Duc; Moses, Gregory; Delettrez, Jacques

    2015-08-01

    An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.

  16. Micrometeorological simulations to predict the impacts of heat mitigation strategies on pedestrian thermal comfort in a Los Angeles neighborhood

    Science.gov (United States)

    Taleghani, Mohammad; Sailor, David; Ban-Weiss, George A.

    2016-02-01

    The urban heat island impacts the thermal comfort of pedestrians in cities. In this paper, the effects of four heat mitigation strategies on micrometeorology and the thermal comfort of pedestrians were simulated for a neighborhood in eastern Los Angeles County. The strategies investigated include solar reflective ‘cool roofs’, vegetative ‘green roofs’, solar reflective ‘cool pavements’, and increased street-level trees. A series of micrometeorological simulations for an extreme heat day were carried out assuming widespread adoption of each mitigation strategy. Comparing each simulation to the control simulation assuming current land cover for the neighborhood showed that additional street-trees and cool pavements reduced 1.5 m air temperature, while cool and green roofs mostly provided cooling at heights above pedestrian level. However, cool pavements increased reflected sunlight from the ground to pedestrians at a set of unshaded receptor locations. This reflected radiation intensified the mean radiant temperature and consequently increased physiological equivalent temperature (PET) by 2.2 °C during the day, reducing the thermal comfort of pedestrians. At another set of receptor locations that were on average 5 m from roadways and underneath preexisting tree cover, cool pavements caused significant reductions in surface air temperatures and small changes in mean radiant temperature during the day, leading to decreases in PET of 1.1 °C, and consequent improvements in thermal comfort. For improving thermal comfort of pedestrians during the afternoon in unshaded locations, adding street trees was found to be the most effective strategy. However, afternoon thermal comfort improvements in already shaded locations adjacent to streets were most significant for cool pavements. Green and cool roofs showed the lowest impact on the thermal comfort of pedestrians since they modify the energy balance at roof level, above the height of pedestrians.

  17. Micrometeorological simulations to predict the impacts of heat mitigation strategies on pedestrian thermal comfort in a Los Angeles neighborhood

    International Nuclear Information System (INIS)

    Taleghani, Mohammad; Ban-Weiss, George A; Sailor, David

    2016-01-01

    The urban heat island impacts the thermal comfort of pedestrians in cities. In this paper, the effects of four heat mitigation strategies on micrometeorology and the thermal comfort of pedestrians were simulated for a neighborhood in eastern Los Angeles County. The strategies investigated include solar reflective ‘cool roofs’, vegetative ‘green roofs’, solar reflective ‘cool pavements’, and increased street-level trees. A series of micrometeorological simulations for an extreme heat day were carried out assuming widespread adoption of each mitigation strategy. Comparing each simulation to the control simulation assuming current land cover for the neighborhood showed that additional street-trees and cool pavements reduced 1.5 m air temperature, while cool and green roofs mostly provided cooling at heights above pedestrian level. However, cool pavements increased reflected sunlight from the ground to pedestrians at a set of unshaded receptor locations. This reflected radiation intensified the mean radiant temperature and consequently increased physiological equivalent temperature (PET) by 2.2 °C during the day, reducing the thermal comfort of pedestrians. At another set of receptor locations that were on average 5 m from roadways and underneath preexisting tree cover, cool pavements caused significant reductions in surface air temperatures and small changes in mean radiant temperature during the day, leading to decreases in PET of 1.1 °C, and consequent improvements in thermal comfort. For improving thermal comfort of pedestrians during the afternoon in unshaded locations, adding street trees was found to be the most effective strategy. However, afternoon thermal comfort improvements in already shaded locations adjacent to streets were most significant for cool pavements. Green and cool roofs showed the lowest impact on the thermal comfort of pedestrians since they modify the energy balance at roof level, above the height of pedestrians. (letter)

  18. Pronounced low-frequency vibrational thermal transport in C60 fullerite realized through pressure-dependent molecular dynamics simulations

    Science.gov (United States)

    Giri, Ashutosh; Hopkins, Patrick E.

    2017-12-01

    Fullerene condensed-matter solids can possess thermal conductivities below their minimum glassy limit while theorized to be stiffer than diamond when crystallized under pressure. These seemingly disparate extremes in thermal and mechanical properties raise questions into the pressure dependence on the thermal conductivity of C60 fullerite crystals, and how the spectral contributions to vibrational thermal conductivity changes under applied pressure. To answer these questions, we investigate the effect of strain on the thermal conductivity of C60 fullerite crystals via pressure-dependent molecular dynamics simulations under the Green-Kubo formalism. We show that the thermal conductivity increases rapidly with compressive strain, which demonstrates a power-law relationship similar to their stress-strain relationship for the C60 crystals. Calculations of the density of states for the crystals under compressive strains reveal that the librational modes characteristic in the unstrained case are diminished due to densification of the molecular crystal. Over a large compression range (0-20 GPa), the Leibfried-Schlömann equation is shown to adequately describe the pressure dependence of thermal conductivity, suggesting that low-frequency intermolecular vibrations dictate heat flow in the C60 crystals. A spectral decomposition of the thermal conductivity supports this hypothesis.

  19. Lattice Thermal Conductivity of Ultra High Temperature Ceramics ZrB2 and HfB2 from Atomistic Simulations

    Science.gov (United States)

    Lawson, John W.; Murray, Daw S.; Bauschlicher, Charles W., Jr.

    2011-01-01

    Atomistic Green-Kubo simulations are performed to evaluate the lattice thermal conductivity for single crystals of the ultra high temperature ceramics ZrB2 and HfB2 for a range of temperatures. Recently developed interatomic potentials are used for these simulations. Heat current correlation functions show rapid oscillations which can be identified with mixed metal-Boron optical phonon modes. Agreement with available experimental data is good.

  20. Thermal hydrodynamic modeling and simulation of hot-gas duct for next-generation nuclear reactor

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Injun [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Hong, Sungdeok; Kim, Chansoo [Korea Atomic Energy Research Institute, Daejeon 305-353 (Korea, Republic of); Bai, Cheolho; Hong, Sungyull [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Shim, Jaesool, E-mail: jshim@ynu.ac.kr [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of)

    2016-12-15

    Highlights: • Thermal hydrodynamic nonlinear model is presented to examine a hot gas duct (HGD) used in a fourth-generation nuclear power reactor. • Experiments and simulation were compared to validate the nonlinear porous model. • Natural convection and radiation are considered to study the effect on the surface temperature of the HGD. • Local Nusselt number is obtained for the optimum design of a possible next-generation HGD. - Abstract: A very high-temperature gas-cooled reactor (VHTR) is a fourth-generation nuclear power reactor that requires an intermediate loop that consists of a hot-gas duct (HGD), an intermediate heat exchanger (IHX), and a process heat exchanger for massive hydrogen production. In this study, a mathematical model and simulation were developed for the HGD in a small-scale nitrogen gas loop that was designed and manufactured by the Korea Atomic Energy Research Institute. These were used to investigate the effect of various important factors on the surface of the HGD. In the modeling, a porous model was considered for a Kaowool insulator inside the HGD. The natural convection and radiation are included in the model. For validation, the modeled external surface temperatures are compared with experimental results obtained while changing the inlet temperatures of the nitrogen working fluid. The simulation results show very good agreement with the experiments. The external surface temperatures of the HGD are obtained with respect to the porosity of insulator, emissivity of radiation, and pressure of the working fluid. The local Nusselt number is also obtained for the optimum design of a possible next-generation HGD.