phenomenological models

  • 文章类型: Journal Article
    在这次审查中,我们相继提出了对已报告和未报告的COVID-19病例的演变进行现象学建模的方法,无论是在指数增长阶段,还是在完整的流行浪潮中。在孤立的波浪之后,我们介绍了由地方性固定周期分开的几个连续波的模型。然后,我们处理没有或具有年龄结构的多隔室模型的情况。最终,我们回顾了文献,根据11个章节中选出的260篇文章,从医院病例的医学调查到预测一般人群中新病例的动态。这篇评论在选择参考文献时倾向于现象学方法而不是机械方法,并模拟了10个州观察到的COVID-19病例数的演变(加利福尼亚州,中国,法国,印度,以色列,Japan,纽约,秘鲁,西班牙和联合王国)。
    In this review, we successively present the methods for phenomenological modeling of the evolution of reported and unreported cases of COVID-19, both in the exponential phase of growth and then in a complete epidemic wave. After the case of an isolated wave, we present the modeling of several successive waves separated by endemic stationary periods. Then, we treat the case of multi-compartmental models without or with age structure. Eventually, we review the literature, based on 260 articles selected in 11 sections, ranging from the medical survey of hospital cases to forecasting the dynamics of new cases in the general population. This review favors the phenomenological approach over the mechanistic approach in the choice of references and provides simulations of the evolution of the number of observed cases of COVID-19 for 10 states (California, China, France, India, Israel, Japan, New York, Peru, Spain and United Kingdom).
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  • 文章类型: Journal Article
    汽车行业正在进入一场数字革命,由于需要在更短的时间内开发高质量和环保的新产品。适当的制造工艺影响门护环在其寿命期间的性能。在这项工作中,在乙烯-丙烯-二烯单体(EPDM)材料上进行了基于分子动力学模拟的单轴拉伸试验,以研究交联密度及其随温度变化的影响。本文利用Mooney-Rivlin(MR)模型对分子动力学(MD)模拟结果进行拟合,并提出指数型模型来计算参数C1(T)和C2T。实验结果,通过根据ASTM1415-88的固化部件的硬度测试证实,自由体积分数和交联密度对变形状态下的EPDM材料的刚度具有显著影响。MR模型上分子动力学叠加的结果与宏观观察到的EPDM在分子水平上的力学行为和拉伸应力相当吻合。这项工作可以准确表征受变形影响的橡胶状材料的应力应变行为,并为其在注塑行业的广泛应用提供有价值的信息。
    The automotive industry is entering a digital revolution, driven by the need to develop new products in less time that are high-quality and environmentally friendly. A proper manufacturing process influences the performance of the door grommet during its lifetime. In this work, uniaxial tensile tests based on molecular dynamics simulations have been performed on an ethylene-propylene-diene monomer (EPDM) material to investigate the effect of the crosslink density and its variation with temperature. The Mooney-Rivlin (MR) model is used to fit the results of molecular dynamics (MD) simulations in this paper and an exponential-type model is proposed to calculate the parameters C1(T) and C2T. The experimental results, confirmed by hardness tests of the cured part according to ASTM 1415-88, show that the free volume fraction and the crosslink density have a significant effect on the stiffness of the EPDM material in a deformed state. The results of molecular dynamics superposition on the MR model agree reasonably well with the macroscopically observed mechanical behavior and tensile stress of the EPDM at the molecular level. This work allows the accurate characterization of the stress-strain behavior of rubber-like materials subjected to deformation and can provide valuable information for their widespread application in the injection molding industry.
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  • 文章类型: Journal Article
    碘化银是超离子导体的原型化合物,其允许离子流过其结构。在420K时表现出一阶相变,其特征在于其离子电导率行为的突然变化,高于这个温度,它的离子电导率增加了三个数量级以上。在碘化银结构中引入低浓度的碳可产生一种新材料,该材料具有混合的电导率(离子和电子),该电导率随温度升高而增加。在这项工作中,我们报告了在低碳浓度(x=0.99,0.98和0.97)下(AgI)x-C(1-x)混合物的离子电导率随温度倒数变化的实验结果。使用基于随机变量理论的现象学模型以及载流子的概率分布函数,可以很好地拟合作为倒数温度函数的离子电导率行为。实验数据显示了C和AgI相之间的邻近效应。作为这种接近行为的结果,碳浓度或温度可以控制(AgI)x-C(1-x)混合物的电导率。
    Silver iodide is a prototype compound of superionic conductors that allows ions to flow through its structure. It exhibits a first-order phase transition at 420 K, characterized by an abrupt change in its ionic conductivity behavior, and above this temperature, its ionic conductivity increases by more than three orders of magnitude. Introducing small concentrations of carbon into the silver iodide structure produces a new material with a mixed conductivity (ionic and electronic) that increases with increasing temperature. In this work, we report the experimental results of the ionic conductivity as a function of the reciprocal temperature for the (AgI)x - C(1-x) mixture at low carbon concentrations (x = 0.99, 0.98, and 0.97). The ionic conductivity behavior as a function of reciprocal temperature was well fitted using a phenomenological model based on a random variable theory with a probability distribution function for the carriers. The experimental data show a proximity effect between the C and AgI phases. As a consequence of this proximity behavior, carbon concentration or temperature can control the conductivity of the (AgI)x - C(1-x) mixture.
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  • 文章类型: Journal Article
    集成子流行病以捕获复杂的时间动态的集成n-子流行病建模框架在先前的作品中已显示出强大的预测能力。这个建模框架可以描述复杂的流行病模式,包括高原,流行病复活,和以不同大小的多个高峰为特征的流行病波。在本教程中,我们介绍并说明SubEpiPredict,一个用户友好的MATLAB工具箱,用于使用集成n-sub流行病建模框架拟合和预测时间序列数据。工具箱可用于模型拟合,预测,并使用加权区间得分(WIS)等指标评估校准期和预测期的模型性能。我们还提供了这些方法的详细描述,包括n子传染病模型的概念,从顶级模型构建集合预测,等。有关工具箱的说明,我们利用美国国家层面公开的每日COVID-19死亡数据.本文介绍的MATLAB工具箱对更广泛的受众群体非常有用,包括政策制定者,并且可以很容易地利用那些没有广泛的编码和建模背景。
    An ensemble n-sub-epidemic modeling framework that integrates sub-epidemics to capture complex temporal dynamics has demonstrated powerful forecasting capability in previous works. This modeling framework can characterize complex epidemic patterns, including plateaus, epidemic resurgences, and epidemic waves characterized by multiple peaks of different sizes. In this tutorial paper, we introduce and illustrate SubEpiPredict, a user-friendly MATLAB toolbox for fitting and forecasting time series data using an ensemble n-sub-epidemic modeling framework. The toolbox can be used for model fitting, forecasting, and evaluation of model performance of the calibration and forecasting periods using metrics such as the weighted interval score (WIS). We also provide a detailed description of these methods including the concept of the n-sub-epidemic model, constructing ensemble forecasts from the top-ranking models, etc. For the illustration of the toolbox, we utilize publicly available daily COVID-19 death data at the national level for the United States. The MATLAB toolbox introduced in this paper can be very useful for a wider group of audiences, including policymakers, and can be easily utilized by those without extensive coding and modeling backgrounds.
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  • 文章类型: Journal Article
    1952年,AlanTuring发表了《反应-扩散(RD)数学框架》,作为物理化学第一原理中出现的自组织过程,奠定了形态发生的基础。遗憾的是,这种方法在发育生物学领域受到广泛怀疑。首先,我们总结了图灵的思路,以缓解RD是一种人工数学结构的误解。第二,我们讨论了为什么现象学RD模型对于理解中观/宏观尺度上的肤色图案特别有效,而不需要在较低的尺度上参数化变量。更具体地说,我们讨论了RD模型(A)如何概括实际皮肤模式的多样性,(b)捕获细胞相互作用的潜在动力学,(c)与组织大小和形状相互作用,(d)可以导致有序的顺序图案,(e)在蜥蜴和蛇中生成元胞自动机动力学,(f)预测超出其统计特征的实际模式,和(G)对模型变化是稳健的。第三,我们讨论了线性稳定性分析的效用,并进行数值模拟,以证明确定性RD如何从底层混沌微观主体中出现。
    In 1952, Alan Turing published the reaction-diffusion (RD) mathematical framework, laying the foundations of morphogenesis as a self-organized process emerging from physicochemical first principles. Regrettably, this approach has been widely doubted in the field of developmental biology. First, we summarize Turing\'s line of thoughts to alleviate the misconception that RD is an artificial mathematical construct. Second, we discuss why phenomenological RD models are particularly effective for understanding skin color patterning at the meso/macroscopic scales, without the need to parameterize the profusion of variables at lower scales. More specifically, we discuss how RD models (a) recapitulate the diversity of actual skin patterns, (b) capture the underlying dynamics of cellular interactions, (c) interact with tissue size and shape, (d) can lead to ordered sequential patterning, (e) generate cellular automaton dynamics in lizards and snakes, (f) predict actual patterns beyond their statistical features, and (g) are robust to model variations. Third, we discuss the utility of linear stability analysis and perform numerical simulations to demonstrate how deterministic RD emerges from the underlying chaotic microscopic agents.
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  • 文章类型: Journal Article
    膜蛋白和配体之间的相互作用在控制广泛的细胞过程中起关键作用。这些相互作用可以提供蛋白质功能的合作型调节。各种各样的蛋白质,包括酶,频道,运输商,和受体,在它们与配体的相互作用中表现出合作行为。此外,所涉及的配体涵盖了巨大的多样性,包括与特定结合位点结合的特定分子或离子。在这次审查中,我们特别关注的是整合膜蛋白和配体之间的相互作用,这些配体可以呈现多个“结合位点”,如质子或膜磷脂。质子或脂质与膜蛋白的相互作用的研究通常对经典机械建模方法提出挑战。在这方面,我们证明,就像希尔在血红蛋白调节方面的开创性工作一样,现象学建模构成了捕获这些系统基本特征的强大工具。
    Interaction between membrane proteins and ligands plays a key role in governing a wide spectrum of cellular processes. These interactions can provide a cooperative-type regulation of protein function. A wide variety of proteins, including enzymes, channels, transporters, and receptors, displays cooperative behavior in their interactions with ligands. Moreover, the ligands involved encompass a vast diversity and include specific molecules or ions that bind to specific binding sites. In this review, our particular focus is on the interaction between integral membrane proteins and ligands that can present multiple \"binding sites\", such as protons or membrane phospholipids. The study of the interaction that protons or lipids have with membrane proteins often presents challenges for classical mechanistic modeling approaches. In this regard, we show that, like Hill\'s pioneering work on hemoglobin regulation, phenomenological modeling constitutes a powerful tool for capturing essential features of these systems.
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  • 文章类型: Journal Article
    脑刺激是一种越来越流行的神经调节工具,用于临床和研究环境;然而,大脑刺激的影响,特别是那些非侵入性刺激,是可变的。这种可变性可以通过不完整的机械理解来部分解释,加上可能的刺激参数的组合爆炸。计算模型构成了探索刺激参数浩瀚海洋并表征其对大脑活动的影响的有用工具。然而,模拟模拟的效用依赖于其生物物理相关性,这需要考虑大量和多样化的神经群体的动态,以及底层网络如何塑造这些集体动态。构建模型时要考虑的大量参数不亚于规划实证研究时需要考虑的参数。这篇文章集中于现象学和生物物理模型在非侵入性脑刺激中的应用。我们首先介绍大脑刺激的常见形式和计算模型,并提供在构建现象学和生物物理模型时做出的典型构建选择。通过四个案例研究的镜头,我们提供了这些模型可以解决的问题的说明,共性,以及研究的局限性。最后,我们提出了未来的方向,以充分发挥大脑刺激的计算模型对个性化设计的潜力,高效,和有效的刺激策略。
    Brain stimulation is an increasingly popular neuromodulatory tool used in both clinical and research settings; however, the effects of brain stimulation, particularly those of non-invasive stimulation, are variable. This variability can be partially explained by an incomplete mechanistic understanding, coupled with a combinatorial explosion of possible stimulation parameters. Computational models constitute a useful tool to explore the vast sea of stimulation parameters and characterise their effects on brain activity. Yet the utility of modelling stimulation in-silico relies on its biophysical relevance, which needs to account for the dynamics of large and diverse neural populations and how underlying networks shape those collective dynamics. The large number of parameters to consider when constructing a model is no less than those needed to consider when planning empirical studies. This piece is centred on the application of phenomenological and biophysical models in non-invasive brain stimulation. We first introduce common forms of brain stimulation and computational models, and provide typical construction choices made when building phenomenological and biophysical models. Through the lens of four case studies, we provide an account of the questions these models can address, commonalities, and limitations across studies. We conclude by proposing future directions to fully realise the potential of computational models of brain stimulation for the design of personalized, efficient, and effective stimulation strategies.
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  • 文章类型: Journal Article
    背景:感染年龄在评估个体的日常传染性水平中起着重要作用,按每日繁殖次数量化。然后,我们根据涉及感染年龄的差分方程,从每日离散时间传染病模型中得出自回归移动平均模型。新颖性:本文的主要思想是使用与该差分方程相关的频谱的一部分来描述数据和模型。
    结果:我们介绍了当所有特征值已知时模型的参数\'识别的一些结果。该方法被应用于日本第三次流行的COVID-19,无法保持日常繁殖的积极性。这个问题迫使我们开发一种适用于日本数据的原始截断光谱方法。我们从考虑十天开始,并将分析延长到一个月。
    结论:我们可以仅使用几个特征值来拟合数据,就可以在整个传染期间确定每日繁殖数字曲线的形状。
    BACKGROUND: The age of infection plays an important role in assessing an individual\'s daily level of contagiousness, quantified by the daily reproduction number. Then, we derive an autoregressive moving average model from a daily discrete-time epidemic model based on a difference equation involving the age of infection. Novelty: The article\'s main idea is to use a part of the spectrum associated with this difference equation to describe the data and the model.
    RESULTS: We present some results of the parameters\' identification of the model when all the eigenvalues are known. This method was applied to Japan\'s third epidemic wave of COVID-19 fails to preserve the positivity of daily reproduction. This problem forced us to develop an original truncated spectral method applied to Japanese data. We start by considering ten days and extend our analysis to one month.
    CONCLUSIONS: We can identify the shape for a daily reproduction numbers curve throughout the contagion period using only a few eigenvalues to fit the data.
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  • 文章类型: Journal Article
    咖啡因和茶碱是在制药工业和化学工业的其他领域中具有重要应用的化合物。这些嘌呤衍生物具有简单的化学结构,因此,对其升华过程的评估有助于传质分析方法的发展,该方法后来可应用于具有更复杂结构的其他化合物。借助等温条件下的热重分析,咖啡因和茶碱升华的动力学研究,随着动力学参数(活化能和指数前因子)的评估,进行了。确定了全球传质系数,咖啡因在53×10-8和631×10-8mol/s·m2·Pa之间变化,茶碱在68×10-8至441×10-8mol/s·m2·Pa之间。提出了以下形式的无量纲方程:Sh=ab·Rec·Scd,这样可以确定咖啡因在130至160°C之间的温度下以及茶碱在170至200°C之间的温度下的单个传质系数。
    Caffeine and theophylline are compounds with important applications in the pharmaceutical industry and other fields of the chemical industry. These purine derivatives have simple chemical structures, therefore, the evaluation of their sublimation process contributes to the development of mass transfer analysis methods that can later be applied to other compounds with more complex structures. With the help of thermogravimetric analysis in isothermal conditions, the kinetic study of the sublimation of caffeine and theophylline, along with the evaluation of kinetic parameters (activation energy and the pre-exponential factor), was carried out. Global mass transfer coefficients were determined, which vary for caffeine between 53 × 10-8 and 631 × 10-8 mol/s·m2·Pa, and for theophylline between 68 × 10-8 and 441 × 10-8 mol/s·m2·Pa. The dimensionless equations of the form: Sh=a+b·Rec·Scd have been proposed, which allow the determination of individual mass transfer coefficients at temperatures between 130 and 160 °C for caffeine and between 170 and 200 °C for theophylline.
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  • 文章类型: Journal Article
    了解软组织的准确力学性能对于评估其损伤非常重要,提供可靠的防护方式或设计有效的人体抗伤装置。尽管开发了一些软组织的准静态本构模型,但很少有研究阐明分别基于应变不变和主要拉伸变量的现象学模型之间的差异。在这项研究中,我们列举了几种典型的超弹性模型,推导了基于连续介质力学的应力应变张量方程,以拟合以往研究中多种加载方式下的人脑标本的实验数据,并给出了基于最小二乘拟合的确定系数。建议在单轴压缩和拉伸下,仅具有第一应变不变量的两种现象学模型的变量形式是一致的,但是在简单剪切载荷下,用应变表示的柯西应力张量完全不同。此外,基于应变不变量和主拉伸的本构模型得出的剪应力与剪应变有多重关系。这项研究的结果将用于了解更准确的软组织力学表征,这将使我们能够评估损伤并为软组织制定更准确的损伤标准。
    It was important to understand the accurate mechanical properties of soft tissue for the evaluation of its injury, provide reliable protective ways or design effective human resist-injury devices. There was little study that clarified the difference between phenomenological models based on strain invariant and the principal stretches variables respectively although some quasi-static constitutive models of soft tissue were developed. In this study, we enumerate several typical hyperelastic models and derive the tensor equation of stress-strain based on continuum mechanics to fit the experimental data of human brain specimens under multiple loading modes in previous studies and give the coefficient of determination based on the least square fitting. It was suggested that two variable forms of phenomenological models with only the first strain invariant are consistent under uniaxial compression and tension, but the Cauchy stress tensor expressed by strain is completely different under simple shear loading. Also, the shear stress derived from the constitutive model based on strain invariants and principal stretchs has multiple relationships related to shear strain. The results in this study would be used to understand the more accurate mechanical characterization of soft tissue, which will allow us to evaluate the injury and develop much accurate injury criteria for soft tissue.
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