78 resultados para CONFORMATIONAL TRANSITION
Resumo:
A critical review on the mechanism and models on the bubble-to-slug transition of two-phase gas-liquid flows are presented in the present paper. It is shown that the most possible mechanism controlled the bubble-to-slug transition is the bubble coalescence. Focusing on the bubble-to-slug transition for the low-Re two-phase flow, a simple Monte Carlo method is used to simulate the influence of the initial bubble size on the bubble-to-slug transition. Some secondary factors, such as the liquid viscosity, the surface tension, and the relative slip between the two phases, are ignored in the present study. It is found that the locus of the dimensionless rate of collision is a universal curve. Based on this curve, it is determined that the bubble initial size can affect the phase distribution and flow pattern when its dimensionless value is in the range from 0.03 to 0.4. A simple relationship between the critical void fraction and the initial bubble size is proposed, which agrees very well with the experimental data.
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This paper investiges the effect of pipe diameter on flow pattern transition boundary in oil water vertical flows, and proposes a model to determine the maximum inner diameter (D_{infty s}) of a pipe in which the slug flow would not occur When pipe inner diameter D>D_{infty s}, only bubble flow exists, while D
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In this paper, the transition of a detonation from deflagration was investigated numerically while a detonation wave propagates in a tube with a sudden change in cross section, referred to as the expansion cavity. The dispersion-controlled scheme was adopted to solve Euler equations of axis-symmetric flows implemented with detailed chemical reaction kinetics of hydrogen-oxygen (or hydrogen-air) mixture. The fractional step method was applied to treat the stiff problems of chemical reaction flow. It is observed that phenomena of detonation quenching and reigniting appear when the planar detonation front diffracts at the vertex of the expansion cavity entrance. Numerical results show that detonation front in mixture of higher sensitivity keeps its substantial coupled structure when it propagates into the expansion cavity. However, the leading shock wave decouples with the combustion zone if mixture of lower sensitivity was set as the initial gas.
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Onset and evolution of the Rayleigh-Benard (R-B) convection are investigated using the Information Preservation (IP) method. The information velocity and temperature are updated using the Octant Flux Splitting (OFS) model developed by Masters & Ye based on the Maxwell transport equation suggested by Sun & Boyd. Statistical noise inherent in particle approaches such as the direct simulation Monte Carlo (DSMC) method is effectively reduced by the IP method, and therefore the evolutions from an initial quiescent fluid to a final steady state are shown clearly. An interesting phenomenon is observed: when the Rayleigh number (Ra) exceeds its critical value, there exists an obvious incubation stage. During the incubation stage, the vortex structure clearly appears and evolves, whereas the Nusselt number (Nu) of the lower plate is close to unity. After the incubation stage, the vortex velocity and Nu rapidly increase, and the flow field quickly reaches a steady, convective state. A relation of Nu to Ra given by IP agrees with those given by DSMC, the classical theory and experimental data.
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Features of homologous relationship of proteins can provide us a general picture of protein universe, assist protein design and analysis, and further our comprehension of the evolution of organisms. Here we carried Out a Study of the evolution Of protein molecules by investigating homologous relationships among residue segments. The motive was to identify detailed topological features of homologous relationships for short residue segments in the whole protein universe. Based on the data of a large number of non-redundant Proteins, the universe of non-membrane polypeptide was analyzed by considering both residue mutations and structural conservation. By connecting homologous segments with edges, we obtained a homologous relationship network of the whole universe of short residue segments, which we named the graph of polypeptide relationships (GPR). Since the network is extremely complicated for topological transitions, to obtain an in-depth understanding, only subgraphs composed of vital nodes of the GPR were analyzed. Such analysis of vital subgraphs of the GPR revealed a donut-shaped fingerprint. Utilization of this topological feature revealed the switch sites (where the beginning of exposure Of previously hidden "hot spots" of fibril-forming happens, in consequence a further opportunity for protein aggregation is Provided; 188-202) of the conformational conversion of the normal alpha-helix-rich prion protein PrPC to the beta-sheet-rich PrPSc that is thought to be responsible for a group of fatal neurodegenerative diseases, transmissible spongiform encephalopathies. Efforts in analyzing other proteins related to various conformational diseases are also introduced. (C) 2009 Elsevier Ltd. All rights reserved.
Resumo:
Mechanical spectroscopy measurement is performed to study the internal friction of nanocrystalline ( NC) nickel with an average grain size of 23 nm from room temperature to 610 K. An internal friction peak is observed at about 550 K, which corresponds to the Curie transition process of the NC nickel according to the result of magnetization test. Moreover, the fact that the Curie temperature of NC nickel is lower than that of coarse-grained nickel is explained by an analytical model based on the weakening of cohesive energy.
Resumo:
We report an intriguing observation that the interaction of brittle nanoscale periodic corrugations (NPCs) can lead to the formation of ductile dimples on the dynamic fracture surface of a tough Vit 1 bulk metallic glass (BMG) under high-velocity plate impact. A “beat” phenomenon due to superposition of simple harmonic vibrations, approximately characterizing NPCs, is proposed to explain this unusual brittle-to-ductile transition. The present results agree well with our previously revealed energy dissipation mechanism in the fracture of BMGs.
Resumo:
Pathogenic conformational conversion is a general causation of many disease, such as transmissible spon- giform encephalopathy (TSE) caused by misfolding of prion, sickle cell anemia, and etc. In such structural changes, misfolding occurs in regions important for the stability of native structure firstly. This destabi- lizes the normal conformation and leads to subsequent errors in folding pathway. Sites involved in the first stage can be deemed switch regions of the protein, and are vital for conformational conversion. Namely it could be a switch of disease at residue level. Here we report an algorithm that can identify such sites computationally with an accuracy of 93%, by calculating the probability of the native structure of a short segment jumping to a mistake one. Knowledge of such switch sites could be used to target clinical therapy, study physiological and pathologic mechanism of protein, and etc.
Resumo:
Many diseases are believed to be related to abnormal protein folding. In the first step of such pathogenic structural changes, misfolding occurs in regions important for the stability of the native structure. This destabilizes the normal protein conformation, while exposing the previously hidden aggregation-prone regions, leading to subsequent errors in the folding pathway. Sites involved in this first stage can be deemed switch regions of the protein, and can represent perfect binding targets for drugs to block the abnormal folding pathway and prevent pathogenic conformational changes. In this study, a prediction algorithm for the switch regions responsible for the start of pathogenic structural changes is introduced. With an accuracy of 94%, this algorithm can successfully find short segments covering sites significant in triggering conformational diseases (CDs) and is the first that can predict switch regions for various CDs. To illustrate its effectiveness in dealing with urgent public health problems, the reason of the increased pathogenicity of H5N1 influenza virus is analyzed; the mechanisms of the pandemic swine-origin 2009 A(H1N1) influenza virus in overcoming species barriers and in infecting large number of potential patients are also suggested. It is shown that the algorithm is a potential tool useful in the study of the pathology of CDs because: (1) it can identify the origin of pathogenic structural conversion with high sensitivity and specificity, and (2) it provides an ideal target for clinical treatment.
Resumo:
Strong mechanical forces can, obviously, disrupt cell-cell and cell-matrix adhesions, e.g., cyclic uniaxial stretch induces instability of cell adhesion, which then causes the reorientation of cells away from the stretching direction. However, recent experiments also demonstrated the existence of force dependent adhesion growth (rather than dissociation). To provide a quantitative explanation for the two seemingly contradictory phenomena, a microscopic model that includes both integrin-integrin interaction and integrin-ligand interaction is developed at molecular level by treating the focal adhesion as an adhesion cluster. The integrin clustering dynamics and integrin-ligand binding dynamics are then simulated within one unified theoretical frame with Monte Carlo simulation. We find that the focal adhesion will grow when the traction force is higher than a relative small threshold value, and the growth is dominated by the reduction of local chemical potential energy by the traction force. In contrast, the focal adhesion will rupture when the traction force exceeds a second threshold value, and the rupture is dominated by the breaking of integrin-ligand bonds. Consistent with the experiments, these results suggest a force map for various responses of cell adhesion to different scales of mechanical force. PMID: 20542514
Resumo:
This is the first part of direct numerical simulation (DNS) of double-diffusive convection in a slim rectangular enclosure with horizontal temperature and concentration gradients. We consider the case with the thermal Rayleigh number of 10^5, the Pradtle number of 1, the Lewis number of 2, the buoyancy ratio of composition to temperature being in the range of [0,1], and height-to-width aspect ration of 4. A new 7th order upwind compact scheme was developed for approximation of convective terms, and a three-stage third-order Runge-Kutta method was employed for time advancement. Our DNS suggests that with the buoyancy ratio increasing form 0 to 1, the flow of transition is a complex series changing fromthe steady to periodic, chaotic, periodic, quasi-periodic, and finally back to periodic. There are two types of periodic flow, one is simple periodic flow with single fundamental frequency (FF), and another is complex periodic flow with multiple FFs. This process is illustrated by using time-velocity histories, Fourier frequency spectrum analysis and the phase-space rajectories.
Resumo:
The direct numerical simulation of boundary layer transition over a 5° half-cone-angle blunt cone is performed. The free-stream Mach number is 6 and the angle of attack is 1°. Random wall blow-and-suction perturbations are used to trigger the transition. Different from the authors’ previous work [Li et al., AIAA J. 46, 2899(2008)], the whole boundary layer flow over the cone is simulated (while in the author’s previous work, only two 45° regions around the leeward and the windward sections are simulated). The transition location on the cone surface is determined through the rapid increase in skin fraction coefficient (Cf). The transition line on the cone surface shows a nonmonotonic curve and the transition is delayed in the range of 0° ≤ θ ≤ 30° (θ = 0° is the leeward section). The mechanism of the delayed transition is studied by using joint frequency spectrum analysis and linear stability theory (LST). It is shown that the growth rates of unstable waves of the second mode are suppressed in the range of 20° ≤ θ ≤ 30°, which leads to the delayed transition location. Very low frequency waves VLFWs� are found in the time series recorded just before the transition location, and the periodic times of VLFWs are about one order larger than those of ordinary Mack second mode waves. Band-pass filter is used to analyze the low frequency waves, and they are deemed as the effect of large scale nonlinear perturbations triggered by LST waves when they are strong enough.The direct numerical simulation of boundary layer transition over a 5° half-cone-angle blunt cone is performed. The free-stream Mach number is 6 and the angle of attack is 1°. Random wall blow-and-suction perturbations are used to trigger the transition. Different from the authors’ previous work [ Li et al., AIAA J. 46, 2899 (2008) ], the whole boundary layer flow over the cone is simulated (while in the author’s previous work, only two 45° regions around the leeward and the windward sections are simulated). The transition location on the cone surface is determined through the rapid increase in skin fraction coefficient (Cf). The transition line on the cone surface shows a nonmonotonic curve and the transition is delayed in the range of 20° ≤ θ ≤ 30° (θ = 0° is the leeward section). The mechanism of the delayed transition is studied by using joint frequency spectrum analysis and linear stability theory (LST). It is shown that the growth rates of unstable waves of the second mode are suppressed in the range of 20° ≤ θ ≤ 30°, which leads to the delayed transition location. Very low frequency waves (VLFWs) are found in the time series recorded just before the transition location, and the periodic times of VLFWs are about one order larger than those of ordinary Mack second mode waves. Band-pass filter is used to analyze the low frequency waves, and they are deemed as the effect of large scale nonlinear perturbations triggered by LST waves when they are strong enough.
Resumo:
Two-step phase transition model, displacive to order-disorder, is proposed. The driving forces for these two transitions are fundamentally different. The displacive phase transition is one type of the structural phase transitions. We clearly define the structural phase transition as the symmetry broking of the unit cell and the electric dipole starts to form in the unit cell. Then the dipole-dipole interaction takes place as soon as the dipoles in unit cells are formed. We believe that the dipole-dipole interaction may cause an order-disorder phase transition following the displacive phase transition. Both structural and order-disorder phase transition can be first-order or second-order or in between. We found that the structural transition temperatures can be lower or equal or higher than the order-disorder transition temperature. The para-ferroelectric phase transition is the combination of the displacive and order-disorder phase transitions. It generates a variety of transition configurations along with confusions. In this paper, we discuss all these configurations using our displacive to order-disorder two-step phase transition model and clarified all the confusions.
Resumo:
A new transition prediction model is introduced, which couples the intermittency effect into the turbulence transport equations and takes the characteristics of fluid transition into consideration to mimic the exact process of transition. Test cases include a two-dimensional incompressible plate and a two-dimensional NACA0012 airfoil. Performance of this transition model for incompressible flows is studied, with numerical results consistent to experimental data. The requirement of grid resolution for this transition model is also studied.