978 resultados para TIME-DEPENDENT HARTREE


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Medicinal plants are considered as one of the ideal sources for cancer therapy due to their bioactive contents and low toxicity to humans. Vernonia genus is one of the common medicinal plants, which has wide spread usage in food and medicine. However, there are limited studies to explore its anticancer properties. In the current study, we have used Vernonia condensata, to explore its anticancer activity using various approaches. Here, we show that extract prepared from Vernonia condensata (VCE) exhibits cytotoxic properties against various cancer cells in a dose- and time-dependent manner. Interestingly, when treated with VCE, there was no significant cytotoxicity in peripheral blood mononuclear cells (PBMCs). Flow cytometry analysis revealed that although VCE induced cell death, arrest was not observed. VCE treatment led to disruption of mitochondrial membrane potential in a concentration dependent manner resulting in activation of apoptosis culminating in cell death. Immunoblotting studies revealed that VCE activated intrinsic pathway of apoptosis. More importantly, VCE treatment resulted in tumor regression leading to significant enhancement in life span in treated mice, without showing any detectable side effects. Therefore, for the first time our study reveals the potential of extract from Vernonia condensata to be used as an anticancer agent.

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Charge-transfer (CT) excitations are essential for photovoltaic phenomena in organic solar cells. Owing to the complexity of molecular geometries and orbital coupling, a detailed analysis and spatial visualisation of CT processes can be challenging. In this paper, a new detail-oriented visualisation scheme, the particle-hole map (PHM), is applied and explained for the purpose of spatial analysis of excitations in organic molecules. The PHM can be obtained from the output of a time-dependent density-functional theory calculation with negligible additional computational cost, and provides a useful physical picture for understanding the origins and destinations of electrons and holes during an excitation process. As an example, we consider intramolecular CT excitations in Diketopyrrolopyrrole-based molecules, and relate our findings to experimental results.

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The concept of state vector stems from statistical physics, where it is usually used to describe activity patterns of a physical field in its manner of coarsegrain. In this paper, we propose an approach by which the state vector was applied to describe quantitatively the damage evolution of the brittle heterogeneous systems, and some interesting results are presented, i.e., prior to the macro-fracture of rock specimens and occurrence of a strong earthquake, evolutions of the four relevant scalars time series derived from the state vectors changed anomalously. As retrospective studies, some prominent large earthquakes occurred in the Chinese Mainland (e.g., the M 7.4 Haicheng earthquake on February 4, 1975, and the M 7.8 Tangshan earthquake on July 28, 1976, etc) were investigated. Results show considerable promise that the time-dependent state vectors could serve as a kind of precursor to predict earthquakes.

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A numerical model has been developed for simulating the rapid solidification processing (RSP) of Ni-Al alloy in order to predict the resultant phase composition semi-quantitatively during RSP. The present model couples the initial nucleation temperature evaluating method based on the time dependent nucleation theory, and solidified volume fraction calculation model based on the kinetics model of dendrite growth in undercooled melt. This model has been applied to predict the cooling curve and the volume fraction of solidified phases of Ni-Al alloy in planar flow casting. The numerical results agree with the experimental results semi-quantitatively.

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The linear instability analysis of the Rayleigh-Allarangoni-Benard convection in a two-layer system of silicon oil 10cS and fluorinert FC70 liquids are performed in a larger range of two-layer depth ratios H, from 0.2 to 5.0 for different total depth H less than or equal to 12 mm. Our results are different from the previous study on the Rayleigh-Benard instability and show strong effects of thermocapillary force at the interface on the time-dependent oscillations arising from the onset of instability convection.

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The oscillatory behaviour of the Rayleigh-Marangoni-Bénard convective instability (R-M-B instability) regarding two combinations of two-layer fluid systems has been investigated theoretically and numerically. For the two-layer system of Silicone oil (10cSt) over Fluorinert (FC70), both linear instability analysis and 2D numerical simulation show that the instability of the system depends strongly on the depth ratio Hr = H1/H2 of the two-layer liquid. The oscillatory regime at the onset of R-M-B convection enlarges with reducing Γ = Ra/Ma values. In the two-layer system of Silicone oil (2cSt) over water, it loses its stability and onsets to steady convection at first, then the steady convection bifurcates to oscillatory convection with increasing Rayleigh number Ra. This behaviour was found through numerical simulation above the onset of steady convection in the case of r = 2.9, ε=(Ra-Ruc)/Rac = 1.0, and Hr = 0.5. Our findings are different from the previous study of the Rayleigh-Benard instability and show the strong effects of the thermocapillary force at the interface on the time-dependent oscillations at or after the onset of convection. We propose a secondary oscillatory instability mechanism to explain the experimental observation of Degen et al. [Phys. Rev. E, 57 (1998), 6647-6659].

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The Rayleigh–Marangoni–Bénard convective instability (R–M–B instability) in the two-layer systems such as Silicone oil (10cSt)/Fluorinert (FC70) and Silicone oil (2cSt)/water liquids are studied. Both linear instability analysis and nonlinear instability analysis (2D numerical simulation) were performed to study the influence of thermocapillary force on the convective instability of the two-layer system. The results show the strong effects of thermocapillary force at the interface on the time-dependent oscillations at the onset of instability convection. The secondary instability phenomenon found in the real two-layer system of Silicone oil over water could explain the difference in the comparison of the Degen’s experimental observation with the previous linear stability analysis results of Renardy et al.

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To further investigate the mechanism of acoustic emission (AE) in the rock fracture experiment, moment tensor analysis was carried out. The AE sources characterized by crack sizes, orientations and fracture modes, are represented by a time-dependent momen

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We provide an overview of the basic concepts of scaling and dimensional analysis, followed by a review of some of the recent work on applying these concepts to modeling instrumented indentation measurements. Specifically, we examine conical and pyramidal indentation in elastic-plastic solids with power-law work-hardening, in power-law creep solids, and in linear viscoelastic materials. We show that the scaling approach to indentation modeling provides new insights into several basic questions in instrumented indentation, including, what information is contained in the indentation load-displacement curves? How does hardness depend on the mechanical properties and indenter geometry? What are the factors determining piling-up and sinking-in of surface profiles around indents? Can stress-strain relationships be obtained from indentation load-displacement curves? How to measure time dependent mechanical properties from indentation? How to detect or confirm indentation size effects? The scaling approach also helps organize knowledge and provides a framework for bridging micro- and macroscales. We hope that this review will accomplish two purposes: (1) introducing the basic concepts of scaling and dimensional analysis to materials scientists and engineers, and (2) providing a better understanding of instrumented indentation measurements.

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Three-dimensional and time-dependent numerical simulations are performed For melt convection in horizontal Bridgman crystal growth tinder high gravity conditions by means of a centrifuge. The numerical results show that Coriolis Force can cause a stabilizing effect on the fluctuations of the melt flow under a specific relation direction and relation rates of the centrifuge as reported in previous experiments (Ma et al., Materials Processing in High Gravity, Plenum Press, New York, 1994, p. 61). The present simulation provides details of the now features associated with the effect of the Coriolis force. There are also some differences between the present three-dimensional and former two-dimensional numerical solutions particularly in the prediction of the critical conditions and flow patterns.

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We propose and analyse a new model of thermocapillary convection with evaporation in a cavity subjected to horizontal temperature gradient, rather than the previously studied model without evaporation. The pure liquid layer with a top free surface in contact with its own vapour is considered in microgravity condition. The computing programme developed for simulating this model integrates the two-dimensional, time-dependent Navier-Stokes equations and energy equation by a second-order accurate projection method. We focus on the coupling of evaporation and thermocapillary convection by investigating the influence of evaporation Biot number and Marangoni number on the interfacial mass and heat transfer. Three different regimes of the coupling mechanisms are found and explained from our numerical results.

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The viscoelastic deformation of Ce-based bulk metallic glasses (BMGs) with low glass transition temperature is investigated at room temperature. Contact stiffness and elastic modulus of Ce-based BMGs cannot be derived using the conventional Oliver-Pharr method [W. C. Oliver and G. M. Pharr, J. Mater. Res. 7, 1564 (1992)]. The present work shows that the time dependent displacement of unloading segments can be described well by a generalized Kelvin model. Thus, a modified Oliver-Pharr method is proposed to evaluate the contact stiffness and elastic modulus, which does, in fact, reproduce the values obtained via uniaxial compression tests. (c) 2007 American Institute of Physics.

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We present a direct and dynamical method to distinguish low-dimensional deterministic chaos from noise. We define a series of time-dependent curves which are closely related to the largest Lyapunov exponent. For a chaotic time series, there exists an envelope to the time-dependent curves, while for a white noise or a noise with the same power spectrum as that of a chaotic time series, the envelope cannot be defined. When a noise is added to a chaotic time series, the envelope is eventually destroyed with the increasing of the amplitude of the noise.

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An analysis of the time-dependent resistive voltage and power deposition during the breakdown phase of pseudo-spark is presented. The voltage and current were measured by specially designed low-inductance capacitive voltage divider and current measuring resistor. The measured waveforms of voltage and current are digitized and processed by a computer program to remove the inductive component, so as to obtain resistive voltage and power deposition. The influence of pressure, cathode geometry and charging voltage of storage capacitors on the electrical properties in the breakdown phase are investigated. The results suggest that the breakdown phase of pseudo-spark consists of three stages. The first stage is mainly hollow cathode discharge. In the second stage, field-enhanced thermionic emission takes place, resulting in a fast voltage drop and sharp rise of discharge current. The third stage of discharge depends simply on the parameters of the discharge circuit.

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A regular perturbation technique is suggested to deal with the problem of one dimensional stress wave propagation in viscoelastic media with damage. Based upon the first order asymptotic solution obtained, the characteristics of wave attenuation are studied. In fact, there exist three different time-dependent phenomena featuring the dynamic response of the materials, the first expressing the characteristics of wave propagation, the second indicating the innate effect of visco-elastic matrix and the third coming from the time dependent damage. The comparision of first order asymptotic solution with the numerical results calculated by a finite difference procedure shows that the perturbation expansion technique may offer a useful approach to the problem concerned.