Comparison of ANN and DoE for the prediction of laser-machined micro-channel dimensions

This paper presents four models developed for the prediction of the width and depth dimensions of CO₂ laser-formed micro-channels in glass. A 3³ statistical design of experiments (DoE) model was built and conducted with the power (P), pulse repetition frequency (PRF), and traverse speed (U) of the laser machine as the selected parameters for investigation. Three feed-forward, back-propagation artificial neural networks (ANNs) models were also generated. These ANN models were varied to investigate the influence of variations in the number and the selection of training data. Model A was constructed with 24 data randomly selected from the experimental results, leaving three data points for model testing; Model B was constructed with the eight corner points of the experimental data space, and seven other randomly selected data, leaving 12 data points for testing; and Model C was constructed with 15 randomly selected data leaving 12 data points for testing. These models were developed separately for both micro-channel width and depth prediction. These ANN models were constructed in LabVIEW coding. The performance of these ANN models and the DoE model were compared. When compared with the actual results two of the ANN models showed greater average percentage error than the DoE model. The other ANN model showed an improved predictive capability that was approximately twice as good as that provided from the DoE model.     

碳纤维复合材料内部缺陷深度的定量红外检测

利用脉冲红外热成像技术对碳纤维复合材料试件内部的模拟脱黏缺陷的深度进行测量, 研究在被测物热属性参数未知情况下,碳纤维增强塑料中缺陷深度的测量方法. 分析了平板材料在脉冲热源激励下的一维热传导模型;给出了内部缺陷深度的红外测量原理; 选用对数温度二阶微分峰值时刻作为特征时间测量缺陷深度; 考虑单点标定测量深度可能产生较大的随机误差,提出利用最小二乘法多项式拟合建立阶梯件中阶梯深度与其对应的对数温度时间二阶微分曲线峰值时间两者之间的标定关系式的方法, 选择在相对误差平方和最小情形下的拟合关系式作为脱黏缺陷深度测量的标定关系式. 实验结果表明,利用该方法测量脱黏缺陷深度的精度优于单点法标定测量结果, 实现了在被检测材料热属性参数未知的情况下仍能较准确地测量脱黏缺陷深度.     

Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity

lazar is a new tool for the prediction of toxic properties of chemical structures. It derives predictions for query structures from a database with experimentally determined toxicity data. lazar generates predictions by searching the database for compounds that are similar with respect to a given toxic activity and calculating the prediction from their activities. Apart form the prediction, lazar provides the rationales (structural features and similar compounds) for the prediction and a reliable condence index that indicates, if a query structure falls within the applicability domain of the training database. Leave-one-out (LOO) crossvalidation experiments were carried out for 10 carcinogenicity endpoints ({female|male} {hamster|mouse|rat} carcinogenicity and aggregate endpoints {hamster|mouse|rat} carcinogenicity and rodent carcinogenicity) and Salmonella mutagenicity from the Carcinogenic Potency Database (CPDB). An external validation of Salmonella mutagenicity predictions was performed with a dataset of 3895 structures. Leave-one-out and external validation experiments indicate that Salmonella mutagenicity can be predicted with 85% accuracy for compounds within the applicability domain of the CPDB. The LOO accuracy of lazar predictions of rodent carcinogenicity is 86%, the accuracies for other carcinogenicity endpoints vary between 78 and 95% for structures within the applicability domain.     

An unusual phenomenon observed when anodising CP titanium to produce coloured surfaces for jewellery and other decorative uses

The unpredictability of the evenness of colour developed on titanium surfaces for use in jewellery has led to a research project at Central Saint Martin's College of Art and Design (CSM) to investigate the detailed structure of the thin oxide films that produce the interference colours.In the course of some initial investigations an unusual phenomenon was observed when a specific material was anodised. Examination of the anodised surface by scanning electron microscopy (SEM) showed a profusion of flower-like ‘oxide growths’ developed in random orientations from about 30 V with increasing density up to 110 V.In honour of the late Professor Harvey Flower these features are currently referred to as ‘Flower oxides’ or ‘flowers’.Further work is continuing to clarify the nature of these growth features and their structure and composition.     

Quantitative comparison between crowd models for evacuation planning and evaluation

Crowd simulation is rapidly becoming a standard tool for evacuation planning and evaluation. However, the many crowd models in the literature are structurally different, and few have been rigorously calibrated against real-world egress data, especially in emergency situations. In this paper we describe a procedure to quantitatively compare different crowd models or between models and real-world data. We simulated three models: (1) the lattice gas model, (2) the social force model, and (3) the RVO2 model, and obtained the distributions of six observables: (1) evacuation time, (2) zoned evacuation time, (3) passage density, (4) total distance traveled, (5) inconvenience, and (6) flow rate. We then used the DISTATIS procedure to compute the compromise matrix of statistical distances between the three models. Projecting the three models onto the first two principal components of the compromise matrix, we find the lattice gas and RVO2 models are similar in terms of the evacuation time, passage density, and flow rates, whereas the social force and RVO2 models are similar in terms of the total distance traveled. Most importantly, we find that the zoned evacuation times of the three models to be very different from each other. Thus we propose to use this variable, if it can be measured, as the key test between different models, and also between models and the real world. Finally, we compared the model flow rates against the flow rate of an emergency evacuation during the May 2008 Sichuan earthquake, and found the social force model agrees best with this real data.     

基于磁荷面分布的舰船磁场预测方法

利用等效源观点, 把钢铁建造的舰船船体视为等效磁荷面分布, 建立了该分布与磁场传感器测量值之间应满足的第一类Fredholm积分方程, 然后利用广义逆矩阵对积分方程离散化后得到的线性方程组进行求解, 并以矩阵条件数来衡量方程组的病态程度, 最后利用求解得到的磁荷分布来预测舰船在空间中任意点上产生的磁场. 数值模拟表明该方法可以准确地识别磁性从而得到精确的磁场预测值. 最后利用一个船模实验验证了本方法. 关键词： 舰船 磁场 磁荷 积分方程     

Monte Carlo simulations of primitive models for ionic systems using the Wolf method

Thermodynamic and structural properties of primitive models for electrolyte solutions and molten salts were studied using NVT and NPT Monte Carlo simulations. The Coulombic interactions were simulated using the Wolf method [D. Wolf, Phys. Rev. Lett. 68, 3315 (1992); D. Wolf, P. Keblinnski, S. R. Phillpot, and J. Eggebrecht, J. Chem. Phys. 110, 8254 (1999)]. Results for 1?:?1 and 2?:?1 charge ratio electroneutral systems are presented, using the restricted and non-restricted primitive models, as well as a soft PM pair potential for a monovalent salt [J.-P. Hansen and I. R. McDonald, Phys. Rev. A 11, 2111 (1975)] that has also been used to model 2?:?12 and 1?:?20 asymmetric colloidal systems, with size ratios 1?:?10 and 2?:?15, respectively [B. Hribar, Y. V. Kalyuzhnyi, and V. Vlachy, Molec. Phys. 87, 1317 (1996)]. We present the predictions obtained for these systems using the Wolf method. Our results are in very good agreement with simulation data obtained with the Ewald sum method as well as with integral-equation theories results. We discuss the relevance of the Wolf method in the context of variable-ranged potentials in molecular thermodynamic theories for complex fluids.     

Electronic stopping power calculation method for molecular dynamics simulations using local Firsov and free electron-gas models

Molecular dynamics simulations have proven to be accurate in predicting depth distributions of low-energy ions implanted in materials. Free parameters adjusted for every ion-target combination are conventionally used to obtain depth profiles in accordance with the experimental ones. We have previously developed a model for predicting depth profiles in crystalline Si without free parameters. The electronic stopping power was calculated using local total electron density. The model underestimated the stopping in the ?1 1 0? channeling direction. We have now taken a new approach to calculate the electronic stopping power. We use the local valence (3p²) electron density to account for the electronic energy loss between collisions and the Firsov model to account for the electronic energy loss during collision. The lowest electron densities are adjusted with a parametrization that is same for all ions in all implanting directions to correct the problems in the ?1 1 0? channeling direction.     

Limitations for qualitative and quantitative neutron activation analysis using reactor neutrons

In this work, the most important limitations for qualitative and quantitative analysis using reactor neutrons for activation are reviewed. Each limitation is discussed using different examples of activated samples. Photopeak estimation, nuclear reactions interference and neutron flux measurements are taken into consideration. Solutions for high accuracy evaluation in neutron activation analysis applications are given.     

Obtaining accurate solutions using reduced chemical kinetic models: a new model reduction method for models rigorously validated over ranges

Reduced chemical kinetics models are often used to lessen the computational cost of reacting flow simulations. However, because a reduced model is usually validated only for a nominal set of reaction conditions, unknown errors are introduced if the reduced model is used at new reaction conditions. In a previous paper, we introduced a method that, given a reduced model as input, identifies a rigorous range over which the model remains valid. However, this procedure is backwards: in most cases one starts with a known range of reaction conditions and one desires a reduced model that can be used over this range. Here we present the first automatic procedure that constructs a reduced chemistry model that is guaranteed to be valid everywhere in any user-specified range. The rigorousness of the model reduction method enables rigorous statements about the difference between the solution obtained using the reduced model and the solution that would have been obtained using the original full-chemistry model. By appropriate choice of error tolerances, the reduced-model solution can be made arbitrarily close to the full-model solution. This is demonstrated with adaptive chemistry simulations of one- and two-dimensional steady state laminar methane/air flames. As guaranteed by the error control procedure, the solutions of the reduced models are just as accurate as those obtained using the full-chemistry model, but they require significantly less CPU time.     

Development and validation of preliminary analytical models for aircraft interior noise prediction

A preliminary version of an airplane interior noise prediction model has been developed. This model is based on a power flow type of analysis. For validation of the model, predictions are made of the sound transmission into a simple unpressured, unstiffened cylinder under random and harmonic excitations. These are compared against experimental results and statistically significant differences between predictions and measurements are identified. It is concluded that these differences are related primarily to input data deficiencies.     

A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models

Configurational-bias Monte Carlo sampling techniques have been developed which overcome the difficulties of sampling configuration space efficiently for all-atom molecular models and for branched species represented with united atom models. Implementation details of this sampling scheme are discussed. The accuracy of a united atom forcefield with non-bond parameters optimized for zeolite adsorption and a widely used all-atom forcefield are evaluated by comparison with experimental sorption isotherms of linear and branched hydrocarbons.     

消声器传递损失预测的边界元模态展开混合方法

将边界元法和解析方法结合形成一种混合方法用于计算消声器的传递损失,消声器被划分成若干个子结构,解析方法和边界元方法被分别用于计算规则结构和不规则结构的阻抗矩阵,不同子结构之间通过阻抗矩阵连接起来。为减少计算时间,采用一种基于模态配点法的简化方法。对单级膨胀腔、双级膨胀腔和穿孔管阻性消声器的传递损失进行了计算,混合方法计算结果与解析方法和三维数值方法计算结果吻合良好。分析了混合方法的计算效率并与传统子结构方法进行了比较,混合方法能明显节省计算时间。     

消声器传递损失预测的边界元模态展开混合方法

将边界元法和解析方法结合形成一种混合方法用于计算消声器的传递损失,消声器被划分成若干个子结构,解析方法和边界元方法被分别用于计算规则结构和不规则结构的阻抗矩阵,不同子结构之间通过阻抗矩阵连接起来。为减少计算时间,采用一种基于模态配点法的简化方法。对单级膨胀腔、双级膨胀腔和穿孔管阻性消声器的传递损失进行了计算,混合方法计算结果与解析方法和三维数值方法计算结果吻合良好。分析了混合方法的计算效率并与传统子结构方法进行了比较,混合方法能明显节省计算时间。     

CP asymmetry in B-->phiK(S) decays in left-right models and its implications for Bs decays

In left-right models the gluonic penguin contribution to b-->ss;s transition is enhanced by m(t)/m(b) due to the presence of (V+A) currents and by large values of loop functions. Together those effects may overcome the suppression due to the small left-right mixing angle xi less, similar 0.013. Two independent new phases in the B-->phiK(S) decay amplitude appearing in a large class of left-right models can modify the time-dependent CP asymmetry in this decay mode by O(1) and explain the recent BABAR and Belle CP asymmetry measurements in this channel. This scenario implies observable deviations from the standard model also in B(s) decays which could be measured at Tevatron and LHC.