Gravity Waves due to Discontinuity Decay Over an Open-Channel Bottom Drop

Experimental data are given on wave shapes and propagation speeds and characteristic headwater and tailwater depths after removal of a shield producing an initial free-surface level drop and located above a bottom drop in a rectangular open channel. Check is performed of self-similar solutions of the problem obtained earlier using a hydraulic approximation. It has been established that in certain ranges of time, longitudinal coordinate, and problem parameters, these solutions are supported by experimental results.     

Verification and validation of impinging round jet simulations using an adaptive FEM

This paper illustrates the use of an adaptive finite element method as a means of achieving verification of codes and simulations of impinging round jets, that is obtaining numerical predictions with controlled accuracy. Validation of these grid‐independent solution is then performed by comparing predictions to measurements. We adopt the standard and accepted definitions of verification and validation (Technical Report AIAA‐G‐077‐1998, American Institute of Aeronautics and Astronautics, 1998; Verification and Validation in Computational Science and Engineering. Hermosa Publishers: Albuquerque, NM, 1998). Mesh adaptation is used to perform the systematic and rigorous grid refinement studies required for both verification and validation in CFD. This ensures that discrepancies observed between predictions and measurements are due to deficiencies in the mathematical model of the flow. Issues in verification and validation are discussed. The paper presents an example of code verification by the method of manufactured solution. Examples of successful and unsuccessful validation for laminar and turbulent impinging jets show that agreement with experiments is achieved only with a good mathematical model of the flow physics combined with accurate numerical solution of the differential equations. The paper emphasizes good CFD practice to systematically achieve verification so that validation studies are always performed on solid grounds. Copyright © 2004 John Wiley & Sons, Ltd.     

NMReDATA,a standard to report the NMR assignment and parameters of organic compounds

Even though NMR has found countless applications in the field of small molecule characterization, there is no standard file format available for the NMR data relevant to structure characterization of small molecules. A new format is therefore introduced to associate the NMR parameters extracted from 1D and 2D spectra of organic compounds to the proposed chemical structure. These NMR parameters, which we shall call NMReDATA (for nuclear magnetic resonance extracted data), include chemical shift values, signal integrals, intensities, multiplicities, scalar coupling constants, lists of 2D correlations, relaxation times, and diffusion rates. The file format is an extension of the existing Structure Data Format, which is compatible with the commonly used MOL format. The association of an NMReDATA file with the raw and spectral data from which it originates constitutes an NMR record. This format is easily readable by humans and computers and provides a simple and efficient way for disseminating results of structural chemistry investigations, allowing automatic verification of published results, and for assisting the constitution of highly needed open‐source structural databases.     

紫外分光光度计标准溶液的制备及使用

介绍了紫外分光光度计标准溶液的特性及其用于检定紫外分光光度计准确度的优点和正确的使用方法。     

坐标测量机立体误差的检测和误差的分离

一高精度平面，以相对于坐标测量机Ｘ，Ｙ，Ｚ轴的方向余角，被放在每一个象限（Ⅰ，Ⅱ，Ⅲ，ⅣＷ）的二个位置上，当输入Ｘ，Ｙ；Ｙ，Ｚ；和Ｚ，Ｘ值时，则有输出Ｚ；Ｘ和Ｙ，因此，这输出与第三轴本身的分项误差之差即为综合测量误差。本文建立了一个描述综合误差与分项误差相互关联的数学模型，据此模型，分项误差将可由综合误差中得到。     

原子吸收分光光度计计量检定中的几个问题

对原子吸收分光光度计计量检定中的几个问题作了一些探讨,并提出了相应的改进措施。     

Tightened reachability constraints for the verification of linear hybrid systems

In this paper, we first generalize reachability constraints for linear differential equations, then tighten them by using the information of multiplicity of the eigenvalues and eigenvectors of such equations and put them into our constraint based approach for safety verification of hybrid systems that employs recursive reasoning to improve the method of constraint propagation based abstraction refinement.     

计算流体力学中的验证与确认

计算流体力学(CFD)在航空航天等诸多领域的应用越来越广泛.特别是近年来, CFD在实际飞行器的设计中扮演着越来越重要的角色, 许多设计参数直接来源于CFD的计算结果.由此, 飞行器设计师对CFD提供结果的可信度提出了更高的要求.验证(verification)与确认(validation)是评价数值解精度和可信度的主要手段.本文综述了国内外开展CFD验证与确认研究的进展.在引言中论述了开展CFD验证与确认的重要性和必要性, 简述了国内外CFD验证与确认研究的历史和发展现状.第2节中讨论了CFD验证与确认的一些基本概念,以及这些概念定义的形成过程, 并指出了进行CFD验证与确认的基本步骤.第3节和第4节分别讨论了CFD验证与确认的方法, 如CFD验证中的精确解比较方法, 制造解比较方法, 网格收敛性研究;CFD确认中的层次结构, 流动分类法, 确认实验指南.在第5节中我们列举了几个CFD验证与确认的应用实例.最后, 对我国开展CFD验证与确认研究工作提出了若干建议, 包括:(1)开展流动分类法研究,(2)推行软件质量工程方法,(3)开展规范精细的实验, 建立国内的网络数据库.      

涡轮叶栅气热耦合数值方法与验证

应用三阶精度TVD格式和自由型曲面阿格技术,对涡轮内冷叶片进行气热耦合数值模拟.结合商用软件采用多种湍流模型计算方法的结果进行实验验证和对比分析,结果表明,商用软件采用传统湍流模型对温度边界层的模拟是不合理的,采用考虑转捩的湍流模型,调整转捩起始雷诺数,可以较好地模拟温度边界层的热传导.本文对非转捩区边界层温度的计算结果与实验结果吻合较好.     

运动员与体力劳动者代谢组学判别模型的建立

不同职业的人群健康状态不同,需要不同的健康管理方法,根据各类人群的体质特征建立健康状态的评估方法有助于开展个性化的健康指导.招募运动员(Athlete,n=31)和体力劳动者(Labour,n=42)共73人,分别收集两组志愿者的晨尿.运用一维核磁共振(1D NMR)技术检测尿液中的代谢产物.建立主成分(PCA)及正交偏最小二乘判别分析(OPLS-DA)模型筛选2类人群间的差异代谢标志物.通过可接收操作特征曲线(ROC)评价代谢标志物的假阳性特征,t-test检验代谢标志物的显著性.利用代谢标志物建立两类人群的偏最小二乘判别分析(PLS-DA)预测模型.模型的有效性通过内部交叉、置换检验和外部预测检验确认.结果显示2类人群之间差异的代谢物有24个,通过其中20个代谢标志物建立的预测模型最优(曲线下面积AUC=0.998).内部交叉验证的误判率(FDR)分别为3.2%和0.内部置换检验的p=3.34×10~(–5).外部预测检验误判率为0.这为不同职业人群健康预测模型的建立提供了思路.