Explicit characteristic‐based finite volume element method for level set equation

Accurate modeling of interfacial flows requires a realistic representation of interface topology. To reduce the computational effort from the complexity of the interface topological changes, the level set method is widely used for solving two‐phase flow problems. This paper presents an explicit characteristic‐based finite volume element method for solving the two‐dimensional level set equation. The method is applicable for the case of non‐divergence‐free velocity field. Accuracy and performance of the proposed method are evaluated via test cases with prescribed velocity fields on structured grids. By given a velocity field, the motion of interface in the normal direction and the mean curvature, examples are presented to demonstrate the performance of the proposed method for calculating interface evolutions in time. Copyright © 2010 John Wiley & Sons, Ltd.     

黏性不可压流体的自适应网格技术和基本特性方程分离算法的联合分析

组合基本特性方程分离算法和自适应网格技术,分析二维黏性不可压流体.该方法使用3节点三角单元,对速度分量和压力等变量分析,使用等阶次的插值函数.组合解法的主要优点在于,在自适应网格技术中,对解梯度变化大的区域,通过耦合误差估计生成小的单元,利于提高解的精度,在其它区域生成大单元,可以节省时间.最后,通过对一个黏性流体圆柱体绕流问题的瞬态和稳态特性分析,给出了组合解法性能的评价.     

Nodeless variable finite element method for heat transfer analysis by means of flux-based formulation and mesh adaptation

Based on flux-based formulation, a nodeless variable element method is developed to analyze two-dimensional steady-state and transient heat transfer problems. The nodeless variable element employs quadratic interpolation functions to provide higher solution accuracy without necessity to actually generate additional nodes. The flux-based formulation is applied to reduce the complexity in deriving the finite element equations as compared to the conventional finite element method. The solution accuracy is further improved by implementing an adaptive meshing technique to generate finite element mesh that can adapt and move along corresponding to the solution behavior. The technique generates small elements in the regions of steep solution gradients to provide accurate solution, and meanwhile it generates larger elements in the other regions where the solution gradients are slight to reduce the computational time and the computer memory. The effectiveness of the combined procedure is demonstrated by heat transfer problems that have exact solutions. These problems are: (a) a steady-state heat conduction analysis in a square plate subjected to a highly localized surface heating, and (b) a transient heat conduction analysis in a long plate subjected to a moving heat source. The English text was polished by Yunming Chen.     

Virtual Screening for Biomimetic Anti-Cancer Peptides from Cordyceps militaris Putative Pepsinized Peptidome and Validation on Colon Cancer Cell Line

Colorectal cancer is one of the leading causes of cancer-related death in Thailand and many other countries. The standard practice for curing this cancer is surgery with an adjuvant chemotherapy treatment. However, the unfavorable side effects of chemotherapeutic drugs are undeniable. Recently, protein hydrolysates and anticancer peptides have become popular alternative options for colon cancer treatment. Therefore, we aimed to screen and select the anticancer peptide candidates from the in silico pepsin hydrolysate of a Cordyceps militaris (CM) proteome using machine-learning-based prediction servers for anticancer prediction, i.e., AntiCP, iACP, and MLACP. The selected CM-anticancer peptide candidates could be an alternative treatment or co-treatment agent for colorectal cancer, reducing the use of chemotherapeutic drugs. To ensure the anticancer properties, an in vitro assay was performed with “CM-biomimetic peptides” on the non-metastatic colon cancer cell line (HT-29). According to the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay results from peptide candidate treatments at 0–400 µM, the IC₅₀ doses of the CM-biomimetic peptide with no toxic and cancer-cell-penetrating ability, original C. militaris biomimetic peptide (C-ori), against the HT-29 cell line were 114.9 µM at 72 hours. The effects of C-ori compared to the doxorubicin, a conventional chemotherapeutic drug for colon cancer treatment, and the combination effects of both the CM-anticancer peptide and doxorubicin were observed. The results showed that C-ori increased the overall efficiency in the combination treatment with doxorubicin. According to the acridine orange/propidium iodine (AO/PI) staining assay, C-ori can induce apoptosis in HT-29 cells significantly, confirmed by chromatin condensation, membrane blebbing, apoptotic bodies, and late apoptosis which were observed under a fluorescence microscope.     

Modified Multidimensional Dissipation Scheme on Unstructured Meshes for High-speed Compressible Flow Analysis

A Roe's flux-difference splitting scheme, combining with the entropy fix method according to Van Leer et al., and the H-correction entropy fix method by Pandolfi and D'Ambrosio, is proposed. The presented scheme eliminates unphysical flow behaviors such as a spurious bump of the carbuncle phenomenon that occurs on the bow shock from flow over a blunt body, and the expansion shock generated from flow over a forward facing step. The proposed scheme is further extended to obtain high-order spatial and temporal solution accuracy. The scheme is, in addition, combined with an adaptive meshing technique that generates unstructured triangular meshes to resemble the flow phenomena for reducing computational effort. The entire procedure is evaluated by solving several benchmarks as well as complex steady-state and transient high-speed compressible flow problems.     

Fractional four-step finite element method for analysis of thermally coupled fluid-solid interaction problems

An integrated fluid-thermal-structural analysis approach is presented. In this approach, the heat conduction in a solid is coupled with the heat convection in the viscous flow of the fluid resulting in the thermal stress in the solid. The fractional four-step finite element method and the streamline upwind Petrov-Galerkin (SUPG) method are used to analyze the viscous thermal flow in the fluid. Analyses of the heat transfer and the thermal stress in the solid are performed by the Galerkin method. The second-order semiimplicit Crank-Nicolson scheme is used for the time integration. The resulting nonlinear equations are linearized to improve the computational efficiency. The integrated analysis method uses a three-node triangular element with equal-order interpolation functions for the fluid velocity components, the pressure, the temperature, and the solid displacements to simplify the overall finite element formulation. The main advantage of the present method is to consistently couple the heat transfer along the fluid-solid interface. Results of several tested problems show effiectiveness of the present finite element method, which provides insight into the integrated fluid-thermal-structural interaction phenomena.     

Adaptive finite element method for analysis of pollutant dispersion in shallow water

A finite element method for analysis of pollutant dispersion in shallow water is presented. The analysis is divided into two parts ： （ 1 ） computation of the velocity flow field and water surface elevation, and （2） computation of the pollutant concentration field from the dispersion model. The method was combined with an adaptive meshing technique to increase the solution accuracy, as well as to reduce the computational time and computer memory. The finite element formulation and the computer programs were validated by several examples that have known solutions. In addition, the capability of the combined method was demonstrated by analyzing pollutant dispersion in Chao Phraya River near the gulf of Thailand.     

Correlations for modeling transitional boundary layers under influences of freestream turbulence and pressure gradient

This paper presents mathematical expressions for two significant parameters which control the onset location and length of transition in the γ–Re_θ transition model of Menter et al. [Menter, F.R., Langtry, R.B., Volker, S., Huang, P.G., 2005. Transition modelling for general purpose CFD codes. In: ERCOFTAC International Symposium on Engineering Turbulence Modelling and Measurements]. The expressions are formulated and calibrated by means of numerical experiments for predicting transitional boundary layers under the influences of freestream turbulence and pressure gradient. It was also found that the correlation for transition momentum thickness Reynolds number needs only to be expressed in terms of local turbulence intensity, so that the more complex form that includes pressure gradient effects is unnecessary. Transitional boundary layers on a flat plate both with and without pressure gradients are employed to assess the performance of these two expressions for predicting the transition. The results show that the proposed expressions can work well with the model of Menter et al. (2005).     

K-Nearest Neighbor and Random Forest-Based Prediction of Putative Tyrosinase Inhibitory Peptides of Abalone Haliotis diversicolor

Skin pigment disorders are common cosmetic and medical problems. Many known compounds inhibit the key melanin-producing enzyme, tyrosinase, but their use is limited due to side effects. Natural-derived peptides also display tyrosinase inhibition. Abalone is a good source of peptides, and the abalone proteins have been used widely in pharmaceutical and cosmetic products, but not for melanin inhibition. This study aimed to predict putative tyrosinase inhibitory peptides (TIPs) from abalone, Haliotis diversicolor, using k-nearest neighbor (kNN) and random forest (RF) algorithms. The kNN and RF predictors were trained and tested against 133 peptides with known anti-tyrosinase properties with 97% and 99% accuracy. The kNN predictor suggested 1075 putative TIPs and six TIPs from the RF predictor. Two helical peptides were predicted by both methods and showed possible interaction with the predicted structure of mushroom tyrosinase, similar to those of the known TIPs. These two peptides had arginine and aromatic amino acids, which were common to the known TIPs, suggesting non-competitive inhibition on the tyrosinase. Therefore, the first version of the TIP predictors could suggest a reasonable number of the TIP candidates for further experiments. More experimental data will be important for improving the performance of these predictors, and they can be extended to discover more TIPs from other organisms. The confirmation of TIPs in abalone will be a new commercial opportunity for abalone farmers and industry.     

Preparation of finely dispersed O/W emulsion from fatty acid solubilized in subcritical water

A novel method for preparing a finely dispersed oil-in-water emulsion is proposed. Octanoic acid dissolved in water at a high temperature of 220 or 230 degrees C at 15 MPa was combined with an aqueous solution of a surfactant and then the mixture was cooled. When a nonionic surfactant, decaglycerol monolaurate (ML-750) or polyoxyethylene sorbitan monolaurate (Tween 20), was used, fine emulsions with a median oil droplet diameter of 100 nm or less were successfully prepared at ML-750 and Tween 20 concentrations of 0.083% (w/v) and 0.042%, respectively, or higher. The diameters were much smaller than those of oil droplets prepared by the conventional homogenization method using a rotor/stator homogenizer. However, an anionic surfactant, sodium dodecyl sulfate, was not adequate for the preparation of such fine emulsions by the proposed method. Although the interfacial tensions between octanoic acid and the surfactant solutions were measured at different temperatures, they were not an indication for selecting a surfactant for the successful preparation of the fine emulsion by the proposed method.