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Planar phonon anisotropy, and a way to detect local equilibrium temperature in graphene 平面声子各向异性,以及一种检测石墨烯局部平衡温度的方法
Pub Date : 2023-09-01 DOI: 10.1016/j.apples.2023.100135
Marco Coco

The effect of inclusion of the planar phonon anisotropy on thermo-electrical behavior of graphene is analyzed. Charge transport is simulated by means of Direct Simulation Monte Carlo technique coupled with numerical solution of the phonon Boltzmann equations based on deterministic methods.

The definition of the crystal lattice local equilibrium temperature is investigated as well and the results furnish possible alternative approaches to identify it starting from measurements of electric current density, with relevant experimental advantages, which could help to overcome the present difficulties regarding thermal investigation of graphene.

Positive implications are expected for many applications, as the field of electronic devices, which needs a coherent tool for simulation of charge and hot phonon transport; the correct definition of the local equilibrium temperature is in turn fundamental for the study, design and prototyping of cooling mechanisms for graphene-based devices.

分析了平面声子各向异性对石墨烯热电行为的影响。利用直接模拟蒙特卡罗技术,结合基于确定性方法的声子玻尔兹曼方程的数值解,对电荷输运进行了模拟。还研究了晶格局部平衡温度的定义,结果提供了从电流密度测量开始识别它的可能的替代方法,并具有相关的实验优势,这可能有助于克服石墨烯热研究的当前困难。许多应用都有积极的意义,如电子器件领域,需要一个用于模拟电荷和热声子输运的相干工具;局部平衡温度的正确定义反过来又是石墨烯基器件冷却机制的研究、设计和原型设计的基础。
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引用次数: 0
Hindered thermal warping triggers tensile cracking in the cores of compressed columns of a fire-loaded tunnel segment structure: Efficiency and accuracy of beam theory prediction, compared to FEM 受阻碍的热翘曲引发火灾荷载隧道管片结构压缩柱芯的拉伸开裂:与有限元法相比,梁理论预测的效率和准确性
Pub Date : 2023-06-01 DOI: 10.1016/j.apples.2023.100128
Maximilian Sorgner , Rodrigo Díaz Flores , Hui Wang , Christian Hellmich , Bernhard L.A. Pichler

The nonlinear Finite Element Method (FEM) is the current gold standard for the thermo-mechanical analysis of reinforced concrete structures. As an alternative, this paper is devoted to a model reduction strategy which reduces the CPU time by a factor of 500. This strategy combines Fourier series-based solutions for the thermal conduction problem, and thermo-elastic Timoshenko beam theory. Temperature histories known to be relevant for fire accidents enter series solutions quantifying the conduction of heat into a closed cell frame consisting of slabs, walls, and columns. Corresponding temperature profiles are translated into thermal eigenstrains. The latter are represented as the sum of three portions: (i) their cross-sectional averages (called thermal eigenstretches); (ii) their cross-sectional moments (called thermal eigencurvatures); and (iii) the remaining eigenstrain distributions (called eigenwarping). The latter portion is hindered at the cross-sectional scale, giving rise to non-linearly distributed self-equilibrated thermal stresses. The eigenstretches and eigencurvatures, in turn, are constrained at the scale of the frame structure. Together with external mechanical loads, they enter the exact solutions of thermo-elastic Timoshenko beam theory with equivalent cross-sections accounting for the different material properties of concrete and steel. Axial normal stresses, quantified from beam-theory-related normal forces and bending moments, are superimposed with the hindered-warping-induced stresses. These stresses agree well with corresponding results obtained by the nonlinear FEM. As regards the load carrying behavior of the columns, excessive thermal tensile strains at the periphery of the columns trigger, in the core of the columns, large tensile stresses which even exceed the strength of concrete. Respective cracking events are considered through reduced effective columnar cross-sections. Right after initiation of cracking, around 12 min after the start of the heating process, the cracks propagate for some 30 sec quite rapidly, and very much slower thereafter. If the initial cross-sections of the columns are increased, more pronounced hindered thermal warping, together with less quickly evolving compressive forces, results in earlier cracking. Overall, it is concluded that tensile cracking is the key material non-linearity, at least during the first 30 min of the fire test, with maximum temperatures up to 300 °C.

非线性有限元法是目前钢筋混凝土结构热力学分析的金标准。作为一种替代方案,本文致力于一种将CPU时间减少500倍的模型缩减策略。该策略结合了基于傅立叶级数的热传导问题解和热弹性Timoshenko梁理论。已知与火灾事故相关的温度历史记录进入了一系列解决方案,这些解决方案量化了热传导到由板、墙和柱组成的封闭单元框架中的情况。相应的温度分布被转化为热本征应变。后者表示为三个部分的总和:(i)它们的横截面平均值(称为热本征拉伸);(ii)它们的横截面力矩(称为热本征曲率);以及(iii)剩余的本征应变分布(称为本征翘曲)。后一部分在横截面尺度上受到阻碍,产生非线性分布的自平衡热应力。本征拉伸和本征曲率反过来又在框架结构的尺度上受到约束。与外部机械载荷一起,它们进入热弹性Timoshenko梁理论的精确解,具有考虑混凝土和钢的不同材料特性的等效截面。轴向法向应力,根据梁理论相关的法向力和弯矩进行量化,与阻碍翘曲引起的应力叠加。这些应力与非线性有限元法的相应结果吻合良好。就柱的承载性能而言,在柱的外围,过大的热拉伸应变在柱的核心引发了大的拉伸应力,甚至超过了混凝土的强度。通过减少有效柱状横截面来考虑相应的开裂事件。在裂纹开始后,在加热过程开始后约12分钟,裂纹非常迅速地传播约30秒,此后传播速度非常慢。如果柱的初始横截面增加,则更明显的阻碍热翘曲,加上不太快演变的压缩力,会导致早期开裂。总之,得出的结论是,拉伸开裂是关键的材料非线性,至少在火灾试验的前30分钟,最高温度高达300°C。
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引用次数: 3
Adaptive mesh refinement for the phase field method: A FEniCS implementation 相位场法的自适应网格细化:一种FEniCS实现
Pub Date : 2023-06-01 DOI: 10.1016/j.apples.2023.100127
F. Freddi, L. Mingazzi

This paper reports insightful implementation details of the global adaptive refinement procedure for the phase-field method recently published in Freddi and Mingazzi (2022). Phase field approaches reproduce cracks within solids in a smeared manner. The small transition zone between broken and unbroken material, whose width is controlled by an internal scale length parameter, permits to precisely replicate complex sharp crack topologies only if an extremely fine mesh is adopted. Starting from a coarse mesh, the proposed refinement process utilizes an energetic criterion to selectively refine the elements on which cracks may propagate. In fully broken areas, where the phase field is no longer evolving, a specific refinement is adopted to capture the high displacement gradient. The implementation is performed within the open-source finite element software FEniCS (ver. 19.1.0) which provides a framework for automated solutions of partial differential equations. The fundamental aspects of the code are described starting from the functional definition to the various steps of the refinement technique. A representative example is illustrated to supply further information on the code functionality. The code can be downloaded from https://github.com/LorenzoMingazzi/AGu-AGal and be used to easily apply the proposed refinement strategy to different problems or as a starting point for more sophisticated formulations.

本文报道了最近发表在Freddi和Mingazzi(2022)上的相位场方法的全局自适应精化过程的深入实现细节。相场方法以涂抹的方式再现固体中的裂纹。破碎和未破碎材料之间的小过渡区,其宽度由内部尺度长度参数控制,只有在采用极细网格的情况下,才能精确复制复杂的尖锐裂纹拓扑结构。从粗网格开始,所提出的细化过程利用能量标准来选择性地细化裂纹可能在其上传播的元素。在相位场不再演化的完全破碎区域,采用特定的细化来捕捉高位移梯度。该实现是在开源有限元软件FEniCS(19.1.0版)中执行的,该软件为偏微分方程的自动求解提供了一个框架。从函数定义到细化技术的各个步骤,描述了代码的基本方面。图示了一个代表性示例,以提供关于代码功能的进一步信息。代码可以从下载https://github.com/LorenzoMingazzi/AGu-AGal并且可以用于将所提出的细化策略容易地应用于不同的问题,或者作为更复杂的公式的起点。
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引用次数: 3
Mechanical response of elastic materials with density dependent Young modulus 杨氏模量随密度变化的弹性材料力学响应
Pub Date : 2023-06-01 DOI: 10.1016/j.apples.2023.100126
Vít Průša, Ladislav Trnka

The experimental as well as theoretical engineering literature on porous structures such as metal foams, aerogels or bones often relies on the standard linearised elasticity theory, and, simultaneously, it frequently introduces the concept of “density dependent Young modulus”. We interpret the concept of “density dependent Young modulus” literally, that is we consider the linearised elasticity theory with the generalised Young modulus being a function of the current density, and we briefly summarise the existing literature on theoretical justification of such models. Subsequently we numerically study the response of elastic materials with the “density dependent Young modulus” in several complex geometrical settings.

In particular, we study the extension of a right circular cylinder, the deflection of a thin plate, the bending of a beam, and the compression of a cube subject to a surface load, and we quantify the impact of the density dependent Young modulus on the mechanical response in the given setting. In some geometrical settings the impact is almost nonexisting—the results based on the classical theory with the constant Young modulus are nearly identical to the results obtained for the density dependent Young modulus. However, in some cases such as the deflection of a thin plate, the results obtained with constant/density dependent Young modulus differ considerably despite the fact that in both cases the infinitesimal strain condition is well satisfied.

关于多孔结构(如金属泡沫、气凝胶或骨骼)的实验和理论工程文献通常依赖于标准的线性弹性理论,同时,它经常引入“密度相关杨氏模量”的概念。我们从字面上解释了“密度相关杨氏模量”的概念,也就是说,我们认为广义杨氏模量是电流密度的函数的线性化弹性理论,并简要总结了关于此类模型理论合理性的现有文献。随后,我们数值研究了具有“密度相关杨氏模量”的弹性材料在几种复杂几何环境中的响应。特别是,我们研究了右圆柱体的延伸、薄板的偏转、梁的弯曲以及立方体在表面载荷作用下的压缩,并量化了在给定设置下密度相关的杨氏模量对机械响应的影响。在某些几何设置中,冲击几乎不存在——基于杨氏模量不变的经典理论的结果与密度相关杨氏模量的结果几乎相同。然而,在某些情况下,例如薄板的挠度,尽管在这两种情况下都很好地满足无穷小应变条件,但用常数/密度相关的杨氏模量获得的结果有很大的不同。
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引用次数: 3
Investigations on design limits and improved material utilization of press-fit connections using elastic-plastic design 使用弹塑性设计研究压配合连接的设计极限和提高材料利用率
Pub Date : 2023-03-01 DOI: 10.1016/j.apples.2022.100124
Jan Falter, Hansgeorg Binz , Matthias Kreimeyer

Today, there are a number of analytical and numerical calculation methods for the elastic-plastic design of press-fit connections. However, these are largely constrained by their restriction to elastic-ideal-plastic material behavior. In addition, recommendations for limiting the plasticized hub cross section that have been provided to date do not exploit the full potential of the materials, with the result that opportunities for lightweight design and improved transmission capacity have remained unused so far. Yet, no experimental validations exist to this end, which is why the existing design method could not be validated until today. In addition, there is still a lack of research on how to evaluate the potential for increasing the force and torque transmission under consideration of the strain hardening of the material during plastic deformation. The lack of knowledge today prevents a targeted design and thereby the industrial application of this type of connection; the transmission capacity and lightweight design potentials have thus remained unused until now (Kröger and Binz, 2020). This article presents the actual design and joining limits of hubs made of EN AW-5083 (AlMg4,5Mn), which were determined as part of an Industrial Collective Research (IGF) project. This allows the hub materials to be better utilized, which leads to a reduction in mass and/or an increase in the force and torque transmission. In addition, the experimental validation of the numerical investigations helps to establish the design method in industrial practice.

目前,压配合连接的弹塑性设计有许多分析和数值计算方法。然而,这些在很大程度上受到其对弹性理想塑性材料行为的限制。此外,迄今为止提供的限制塑化轮毂横截面的建议并没有充分利用材料的潜力,因此迄今为止,轻质设计和提高传动能力的机会仍未得到利用。然而,目前还没有实验验证,这就是为什么现有的设计方法直到今天才能得到验证的原因。此外,考虑到材料在塑性变形过程中的应变硬化,如何评估增加力和扭矩传递的潜力仍然缺乏研究。当今知识的缺乏阻碍了有针对性的设计,从而阻碍了这种类型的连接的工业应用;因此,直到现在,传输容量和轻量化设计潜力仍未得到利用(Kröger和Binz,2020)。本文介绍了EN AW-5083(AlMg4,5Mn)轮毂的实际设计和连接极限,这些轮毂是作为工业集体研究(IGF)项目的一部分确定的。这允许更好地利用轮毂材料,这导致质量的减少和/或力和扭矩传递的增加。此外,数值研究的实验验证有助于在工业实践中建立设计方法。
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引用次数: 2
Multi-field formulations for solving plane problems involving viscoelastic constitutive relations 求解粘弹性本构关系平面问题的多场公式
Pub Date : 2023-03-01 DOI: 10.1016/j.apples.2022.100120
S. Ananthapadmanabhan, U. Saravanan

This article reports a multi-field numerical formulation for solving plane problems involving viscoelastic materials. Stress fields satisfying equilibrium equations are constructed using Airy’s potentials which are expressed as a linear combination of C2 basis functions. The strain field is derived from a continuous displacement field obtained from a linear combination of C0 basis functions. An appropriate linear combination of these stress and displacement basis functions is determined such that the resulting stress and strain fields satisfy the constitutive relation subjected to the satisfaction of the constraints arising from the boundary conditions. Since a viscoelastic constitutive relation involves stress, strain, and their rates, stress and displacement degrees of freedom or their rates can be considered as optimization variables for minimizing the error in satisfying the constitutive relation. Two Algorithms are proposed based on this choice of optimization variable. Accuracy and efficiency of the proposed algorithms are studied through five different boundary value problems involving four forms of the viscoelastic constitutive relations and for two loading histories. Using the developed rectangular element, viscoelastic beam bending problem is solved for the different constitutive relations studied.

本文报道了一个求解粘弹性材料平面问题的多场数值公式。利用Airy势构造了满足平衡方程的应力场,Airy势表示为C2基函数的线性组合。应变场是从C0基函数的线性组合获得的连续位移场导出的。确定这些应力和位移基函数的适当线性组合,使得所得到的应力和应变场满足本构关系,该本构关系受到由边界条件引起的约束的满足。由于粘弹性本构关系涉及应力、应变及其速率,因此应力和位移自由度或其速率可以被视为优化变量,以最小化满足本构关系的误差。基于优化变量的选择,提出了两种算法。通过涉及四种形式的粘弹性本构关系和两种载荷历史的五个不同边值问题,研究了所提出算法的准确性和效率。利用所开发的矩形单元,求解了不同本构关系的粘弹性梁弯曲问题。
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引用次数: 0
Mathematical modelling and parameter classification enable understanding of dynamic shape-change issues adversely affecting high energy-density battery metal anodes 数学建模和参数分类能够理解对高能量密度电池金属阳极产生不利影响的动态形状变化问题
Pub Date : 2023-03-01 DOI: 10.1016/j.apples.2022.100125
Benedetto Bozzini , Elisa Emanuele , Jacopo Strada , Ivonne Sgura

Owing to the difficulty of studying materials in real-life battery context, research on metal anodes, suffers from a methodological gap between materials- and device-orientated studies. This gap can be bridged by quantitatively linking the electrical response of the device to the evolution of the material inside the cell. The capability of establishing this link, on the one hand, allows to frame the correct space- and time-scales that are relevant to device research and, on the other hand, helps pinpoint the global observables that can be associated with molecular-level information and imaging. This study contributes to the construction of a conceptual platform, that will enable to rationalize the electrical response of the device on the basis of materials-relevant quantities. To this aim: (i) we have developed a PDE-based mathematical model for the response of a single symmetric cell with metal electrodes; (ii) we have validated it with high-quality data from Zn/Zn symmetric coin-cell cycling in weakly acidic alkaline aqueous electrolyte, containing quaternary ammonium additives, and (iii) we have carried out a parameter-classification task for the experimental data, that notably extended the physico-chemical insight into the mechanism of action of anode-stabilizing additives.

由于在现实电池环境中研究材料的困难,金属阳极的研究在面向材料和设备的研究之间存在方法上的差距。这种间隙可以通过将器件的电响应与电池内材料的演变定量联系起来来弥补。一方面,建立这种联系的能力可以确定与设备研究相关的正确空间和时间尺度,另一方面,有助于精确定位与分子水平信息和成像相关的全局可观测性。这项研究有助于构建一个概念平台,使设备的电气响应能够在材料相关数量的基础上合理化。为此:(i)我们开发了一个基于PDE的数学模型,用于具有金属电极的单个对称电池的响应;(ii)我们已经用在含有季铵添加剂的弱酸性碱性水性电解质中Zn/Zn对称硬币电池循环的高质量数据对其进行了验证,以及(iii)我们对实验数据进行了参数分类任务,这显著地扩展了对阳极稳定添加剂作用机制的物理化学见解。
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引用次数: 0
Advances in endovascular aortic repair 血管内主动脉修复的研究进展
Pub Date : 2022-12-01 DOI: 10.1016/j.apples.2022.100116
Timothy D. Chilton , Matthew R. Smeds , Kristofer M. Charlton-Ouw

The treatment of degenerative aortic disease has largely shifted to endovascular repair due to lower short-term morbidity and mortality with similar costs and operative times when compared to the traditional open approach. Ongoing endograft development in combination with improved endovascular techniques have allowed vascular surgeons to extend endovascular treatment offerings to previously hostile and unfavorable patient anatomy. Modern endografts are now placed using smaller delivery systems designed to better accommodate a diverse patient population. New endograft designs allow for improved, patient-specific surgical plan. In patients where endovascular repair is desired but commercially available grafts are not available, endograft modification and adjunctive stenting remains an alternative.

退行性主动脉疾病的治疗主要转向血管内修复,因为与传统的开放入路相比,短期发病率和死亡率较低,费用和手术时间相似。持续发展的内移植物与改进的血管内技术相结合,使血管外科医生能够将血管内治疗扩展到以前不友好和不利的患者解剖结构。现代内移植物现在使用更小的输送系统,旨在更好地适应不同的患者群体。新的内移植物设计允许改进的,针对患者的手术计划。对于需要血管内修复但无法获得市售移植物的患者,内移植物修饰和辅助支架置入术仍然是一种选择。
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引用次数: 2
Dimensional reduction of a poromechanical cardiac model for myocardial perfusion studies 用于心肌灌注研究的孔隙力学心脏模型的降维
Pub Date : 2022-12-01 DOI: 10.1016/j.apples.2022.100121
Radomír Chabiniok , Bruno Burtschell , Dominique Chapelle , Philippe Moireau

In this paper, we adapt a previously developed poromechanical formulation to model the perfusion of myocardium during a cardiac cycle. First, a complete model is derived in 3D. Then, we perform a dimensional reduction under the assumption of spherical symmetry and propose a numerical algorithm that enables us to perform simulations of the myocardial perfusion throughout the cardiac cycle. These simulations illustrate the use of the proposed model to represent various physiological and pathological scenarios, specifically the vasodilation in the coronary network (to reproduce the standard clinical assessment of myocardial perfusion and perfusion reserve), the stenosis of a large coronary artery, an increased vascular resistance in the microcirculation (microvascular disease) and the consequences of inotropic activation (increased myocardial contractility) particularly at the level of the systolic flow impediment. Our results show that the model gives promising qualitative reproductions of complex physiological phenomena. This paves the way for future quantitative studies using clinical or experimental data.

在本文中,我们采用先前开发的孔隙力学公式来模拟心脏周期期间心肌的灌注。首先,建立完整的三维模型。然后,我们在球对称假设下进行降维,并提出一种数值算法,使我们能够在整个心脏周期中进行心肌灌注的模拟。这些模拟说明了所提出的模型用于表示各种生理和病理情景的使用,特别是冠状动脉网络中的血管舒张(再现心肌灌注和灌注储备的标准临床评估),大冠状动脉狭窄,微循环血管阻力增加(微血管疾病)和肌力激活(心肌收缩力增加)的后果,特别是在收缩血流障碍水平。我们的结果表明,该模型对复杂的生理现象给出了有希望的定性再现。这为将来使用临床或实验数据进行定量研究铺平了道路。
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引用次数: 2
In Silico Modelling of Aortic Strain and Strain Rate in Aortic Coarctation Treated with Stent Angioplasty with Comparison to Clinical Cohorts 支架成形术治疗主动脉缩窄的主动脉应变和应变率的计算机模拟与临床队列的比较
Pub Date : 2022-12-01 DOI: 10.1016/j.apples.2022.100123
Nicholas Gaddum , Des Dillon-Murphy , Richard Arm , Isma Rafiq , Radomir Chabiniok , Gareth Morgan , Tobias Schaeffter , Tarique Hussain

Objective

Treatment of aortic coarctation has seen a shift from traditional surgical repair to the use of aortic stents. The aim of this study was to assess the impact upon hemodynamics and arterial strain when aortic coarctation is treated with a stent using an experimental coarctation model, and to confirm any findings in a clinical cohort using MRI.

Methods

An experimental patient model included a silicone arterial tree, and ventricular stroke profile was derived from patient MRI data. Pressure, flow and aortic strain was measured before and after stent placement in the model. A clinical study comprised of strain measurements using MRI in two patient cohorts; those treated with a stent, and those treated with surgical repair.

Results

Before stent placement, peak strain decreased as the pulse propagated away from the aortic valve. After stent placement however, peak strain was amplified as it approached the stent, despite peak systolic pressure having dropped by 20 mmHg. Introduction of the stent caused an almost three fold increase in aortic strain rate to 150%.s  1. Echoing these results the stented patient group's strain increased from 28% +/- 14% in the ascending aorta to 43% +/- 24% (p < 0.05) pre-coarctation. This was not seen in those with surgical repair of coarctation, (ascending aorta 40% +/- 22% compared to the pre-coarctation aorta strain 38% +/- 20%, p = 0.81).

Conclusions

Despite a reduced systolic pressure gradient through a stented coarctation, dramatic increases in strain and strain rate could attribute subsequent pathologies in the aorta proximally.

目的:主动脉缩窄的治疗已经从传统的手术修复转向使用主动脉支架。本研究的目的是利用实验性主动脉缩窄模型评估支架治疗主动脉缩窄对血流动力学和动脉应变的影响,并通过MRI确认临床队列中的任何发现。方法实验患者模型包括硅胶动脉树,并根据患者MRI数据获得脑卒中特征。在模型中测量支架置入前后的压力、血流和主动脉应变。一项临床研究包括在两个患者队列中使用MRI进行应变测量;一组接受支架治疗,另一组接受手术修复。结果支架置入前,峰值应变随脉冲向主动脉瓣外传播而减小。然而,置入支架后,尽管收缩压峰值下降了20 mmHg,但峰值应变在接近支架时被放大。支架的引入导致主动脉损伤率几乎增加了三倍,达到150%。s−1。与这些结果相呼应,支架患者组的压力从升主动脉的28% +/- 14%增加到43% +/- 24% (p <0.05) pre-coarctation。这在手术修复缩窄的患者中未见(升主动脉40% +/- 22%,缩窄前主动脉38% +/- 20%,p = 0.81)。结论:尽管通过支架缩窄降低了收缩压梯度,但应变和应变率的急剧增加可能导致主动脉近端随后出现病变。
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引用次数: 1
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Applications in engineering science
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