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A new numerical method for linear rheology of living polymers 活聚合物线性流变学的新数值方法
Pub Date : 2024-08-09 DOI: 10.1122/8.0000875
Claire Love, Joseph D. Peterson
Living polymers such as wormlike micelles have attracted considerable experimental and theoretical interest over the past three decades, but the differential-integral equations that describe the joint processes of reversible scission and stress relaxation were only recently developed and have not yet been solved. Here, we introduce a numerical method that is simple, stable, accurate, flexible, and fast compared to alternatives. After validating the method and its predictions, we provide a preliminary discussion on previously unquantified sources of uncertainty in a popular stochastic approach to modeling the same problem.
过去三十年来,蠕虫状胶束等活聚合物引起了实验和理论界的极大兴趣,但描述可逆裂解和应力松弛联合过程的微分积分方程直到最近才被提出,而且尚未得到解决。在此,我们介绍一种数值方法,与其他方法相比,该方法简单、稳定、准确、灵活、快速。在验证了该方法及其预测结果后,我们初步讨论了在对同一问题进行建模时,一种流行的随机方法中以前未量化的不确定性来源。
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引用次数: 1
Data-driven constitutive meta-modeling of nonlinear rheology via multifidelity neural networks 通过多保真度神经网络建立数据驱动的非线性流变学构成元模型
Pub Date : 2024-07-24 DOI: 10.1122/8.0000831
Milad Saadat, W. Hartt V, Norman J. Wagner, Safa Jamali
Predicting the response of complex fluids to different flow conditions has been the focal point of rheology and is generally done via constitutive relations. There are, nonetheless, scenarios in which not much is known from the material mathematically, while data collection from samples is elusive, resource-intensive, or both. In such cases, meta-modeling of observables using a parametric surrogate model called multi-fidelity neural networks (MFNNs) may obviate the constitutive equation development step by leveraging only a handful of high-fidelity (Hi-Fi) data collected from experiments (or high-resolution simulations) and an abundance of low-fidelity (Lo-Fi) data generated synthetically to compensate for Hi-Fi data scarcity. To this end, MFNNs are employed to meta-model the material responses of a thermo-viscoelastic (TVE) fluid, consumer product Johnson’s® Baby Shampoo, under four flow protocols: steady shear, step growth, oscillatory, and small/large amplitude oscillatory shear (S/LAOS). In addition, the time–temperature superposition (TTS) of the material response and MFNN predictions are explored. By applying simple linear regression (without induction of any constitutive equation) on log-spaced Hi-Fi data, a series of Lo-Fi data were generated and found sufficient to obtain accurate material response recovery in terms of either interpolation or extrapolation for all flow protocols except for S/LAOS. This insufficiency is resolved by informing the MFNN platform with a linear constitutive model (Maxwell viscoelastic) resulting in simultaneous interpolation and extrapolation capabilities in S/LAOS material response recovery. The roles of data volume, flow type, and deformation range are discussed in detail, providing a practical pathway to multifidelity meta-modeling of different complex fluids.
预测复杂流体在不同流动条件下的反应一直是流变学的重点,通常通过构成关系来实现。然而,在有些情况下,人们对材料的数学知识知之甚少,而从样品中收集数据却十分困难,或需要耗费大量资源,或两者兼而有之。在这种情况下,使用一种名为多保真度神经网络(MFNN)的参数代用模型对可观测数据进行元建模,可以通过利用从实验(或高分辨率模拟)中收集到的少量高保真(Hi-Fi)数据和合成生成的大量低保真(Lo-Fi)数据来弥补高保真数据的不足,从而省去构造方程的开发步骤。为此,我们采用 MFNN 对热-粘弹性(TVE)流体(消费品强生婴儿洗发水)在四种流动协议下的材料响应进行元建模:稳定剪切、阶跃增长、振荡和小/大振幅振荡剪切(S/LAOS)。此外,还探讨了材料响应的时间-温度叠加(TTS)和 MFNN 预测。通过对对数间隔 Hii-Fi 数据应用简单的线性回归(不归纳任何构成方程),生成了一系列 Lo-Fi 数据,并发现这些数据足以通过内插法或外推法获得除 S/LAOS 以外所有流动协议的准确材料响应恢复。为解决这一不足,MFNN 平台采用了线性构造模型(麦克斯韦粘弹性模型),从而在 S/LAOS 材料响应恢复中同时实现了内插和外推功能。详细讨论了数据量、流动类型和变形范围的作用,为不同复杂流体的多保真元建模提供了实用途径。
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引用次数: 0
Coupling a torque rheometer with an ultrasonic velocity profiler for evaluating multiphase fluids in oscillatory shear flows 将扭矩流变仪与超声波速度剖面仪联用,评估振荡剪切流中的多相流体
Pub Date : 2024-07-22 DOI: 10.1122/8.0000818
K. Ohie, Taiki Yoshida, Yuji Tasaka
We propose a torque rheometer coupled with an ultrasonic velocity profiler (UVP) for evaluating multiphase fluids as bulk rheology in oscillatory shear flows. The rheometer mainly consists of wide-gap coaxial cylinders, where the outer cylinder is sinusoidally oscillated and the inner cylinder is fixed to a torque sensor for measuring the wall shear stress. Based on Cauchy’s equation of motion, the spatiotemporal distribution of the shear stress is obtained from the velocity information and the wall shear stress as a boundary condition. This rheometer was applied to a carboxymethyl cellulose aqueous solution and compared with a standard torque-type rheometer. The results of the evaluated viscoelastic properties agreed well with each other, indicating the validity of the proposed rheometry. To further investigate the applicability of the rheometer to multiphase fluids, suspensions of solid spherical particles with a diameter of 220μm with volume fraction of 0.8–3.4% were measured, which are out of the applicable ranges of the standard rheometer. For volume fractions up to 3% where the UVP measurement is available, the relative viscosity agrees well with a theoretical formula. This indicates the applicability of the method to examine multiphase fluids.
我们提出了一种扭矩流变仪与超声波速度剖面仪(UVP)相结合的方法,用于评估多相流体在振荡剪切流中的体积流变性。流变仪主要由宽间隙同轴圆柱体组成,外圆柱体正弦振动,内圆柱体固定在扭矩传感器上,用于测量壁面剪应力。根据柯西运动方程,从速度信息中获得剪应力的时空分布,并将壁面剪应力作为边界条件。将该流变仪应用于羧甲基纤维素水溶液,并与标准扭矩型流变仪进行了比较。评估的粘弹性能结果相互吻合,表明了所建议的流变仪的有效性。为了进一步研究流变仪对多相流体的适用性,测量了直径为 220μm 的固体球形颗粒悬浮液,其体积分数为 0.8-3.4%,超出了标准流变仪的适用范围。对于体积分数不超过 3% 的颗粒,在可用 UVP 测量的情况下,相对粘度与理论公式十分吻合。这表明该方法适用于检测多相流体。
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引用次数: 0
Nonlinear oscillatory rheology of aqueous suspensions of cellulose nanocrystals and nanofibrils 纤维素纳米晶体和纳米纤维水悬浮液的非线性振荡流变学
Pub Date : 2024-05-16 DOI: 10.1122/8.0000808
Jiatong Xu, Pengguang Wang, Ziyu Zhou, Baihua Yuan, Hongbin Zhang
In this work, the nonlinear rheological behavior of aqueous suspensions composed of two typical nanocellulose [rod-like cellulose nanocrystals (CNCs) and filamentous cellulose nanofibrils (CNFs)] was examined and compared by using various large-amplitude oscillatory shear (LAOS) analysis methods, such as Fourier-transform rheology, stress decomposition, Chebyshev polynomials, and the sequence of physical processes. From our analysis, the nonlinear rheological parameters of higher harmonics, dissipation ratio, strain hardening ratio, shear thickening ratio, transient modulus, and cage modulus were obtained and quantitatively analyzed. CNCs tend to assemble to form anisotropic structures in an aqueous medium while the CNFs are entangled to form gels. The CNF suspensions demonstrated a significant viscous modulus overshoot and had stronger yield stresses, but the yield of CNC suspensions was more ductile. In the case of low concentrations, the CNF suspensions demonstrated stronger intracycle shear thickening behavior in medium-amplitude oscillatory shear region and lower dissipation ratios at small strain amplitudes. Although both nanocellulose suspensions revealed the existence of four intracycle rheological transition processes (viscoplastic deformation, structural recovery, early-stage yielding, and late-stage yielding), the CNF suspensions exhibited a stronger structural recovery ability. Larger strain amplitudes did not invariably result in a broader range of intracycle rheological transitions, which are also affected by the excitation frequency. The application of the various LAOS analysis methods provided valuable intracycle nonlinear rheological insights into nanocellulose suspensions, which are of great importance for enhancing their industrial perspectives.
本研究采用傅立叶变换流变学、应力分解、切比雪夫多项式和物理过程序列等多种大振幅振荡剪切(LAOS)分析方法,研究和比较了由两种典型纳米纤维素(棒状纤维素纳米晶体(CNCs)和丝状纤维素纳米纤维(CNFs))组成的水悬浮液的非线性流变行为。通过分析,我们获得并定量分析了高次谐波、耗散比、应变硬化比、剪切增厚比、瞬态模量和笼型模量等非线性流变参数。在水介质中,CNCs 倾向于聚集形成各向异性结构,而 CNFs 则缠结形成凝胶。CNF 悬浮液表现出明显的粘模量过冲,屈服应力较大,但 CNC 悬浮液的屈服韧性更强。在低浓度情况下,CNF 悬浮液在中等振幅振荡剪切区域表现出更强的周期内剪切增厚行为,而在小应变振幅下则表现出更低的耗散比。虽然两种纳米纤维素悬浮液都显示存在四个循环内流变转变过程(粘塑变形、结构恢复、早期屈服和晚期屈服),但 CNF 悬浮液表现出更强的结构恢复能力。应变幅值越大,周期内流变转变的范围也就越广,这也受到激励频率的影响。各种 LAOS 分析方法的应用为纳米纤维素悬浮液提供了宝贵的周期内非线性流变学见解,这对提高其工业前景具有重要意义。
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引用次数: 0
Equibiaxial elongation of entangled polyisobutylene melts: Experiments and theoretical predictions 缠结聚异丁烯熔体的等轴伸长:实验和理论预测
Pub Date : 2024-03-29 DOI: 10.1122/8.0000809
Seyed Mahmoud Arzideh, A. Córdoba, Jeffrey G. Ethier, J. Schieber, D. Venerus
Equibiaxial elongational deformations are omnipresent in polymer processing technologies. The challenge of generating well-controlled equibiaxial elongational deformations in the laboratory has, however, severely inhibited progress on understanding the rheology of polymeric liquids and other complex fluids in this flow. More recently, a novel technique known as continuous lubricated squeezing flow has been developed that allows for rheological measurements in equibiaxial elongational deformations. In the present study, we examine the rheological behavior of two entangled polyisobutylene (PIB) melts with different molecular weight distributions in constant strain rate equibiaxial elongation flows. These new data are compared with predictions from two molecular models for entangled polymer melts inspired by the idea that entanglements dominate the relaxation dynamics. One model is the discrete slip-link model (DSM), and the other is known as the Rolie Double Poly (RDP) model. For the PIB with a relatively narrow molecular weight distribution, the predictions of both models are in good agreement with experiments and the DSM gives nearly quantitative agreement. For the broad molecular weight distribution PIB, both the DSM and RDP model predict strain hardening, which is not observed in the experiments.
等轴伸长变形在聚合物加工技术中无处不在。然而,在实验室中产生良好控制的等轴伸长变形所带来的挑战,严重阻碍了对聚合物液体和其他复杂流体在这种流动中的流变学的理解。最近,一种被称为连续润滑挤压流的新技术应运而生,它可以在等轴伸长变形中进行流变学测量。在本研究中,我们研究了两种具有不同分子量分布的缠结聚异丁烯(PIB)熔体在恒应变速率等轴伸长流动中的流变行为。这些新数据与两种纠缠聚合物熔体分子模型的预测结果进行了比较,这两种模型的灵感来自于纠缠主导弛豫动力学的观点。其中一个模型是离散滑移链模型(DSM),另一个称为罗利双聚物模型(RDP)。对于分子量分布相对较窄的 PIB,两种模型的预测结果都与实验结果吻合,其中 DSM 的预测结果几乎与实验结果定量吻合。对于分子量分布较宽的 PIB,DSM 和 RDP 模型都预测会出现应变硬化,而实验中并未观察到这种现象。
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引用次数: 0
Definite example of negative entropy production in the Rolie Poly model 罗利-波利模型中产生负熵的确切例子
Pub Date : 2024-03-29 DOI: 10.1122/8.0000815
Charles T. Drucker, Joseph D. Peterson
While it is known that the Rolie Poly model is not guaranteed to be thermodynamically consistent, definite examples of a thermodynamically inconsistent prediction have not yet been published. Additionally, the source of the problem (and its historical context) may not be widely known. This work provides additional background information and a definite example of negative entropy production in an experimentally relevant flow, including a discussion of the implications in terms of an experimentally measurable quantity like recoverable strain.
众所周知,罗利-波利模型并不能保证热力学上的一致性,但热力学上不一致预测的确凿事 例尚未公布。此外,该问题的来源(及其历史背景)可能并不广为人知。这项工作提供了额外的背景信息,以及在与实验相关的流动中产生负熵的确切例子,包括对可回收应变等实验可测量量的影响的讨论。
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引用次数: 0
On the elongational viscosity of viscoelastic slip flows in hyperbolic confined geometries 论双曲约束几何中粘弹性滑移流的伸长粘度
Pub Date : 2024-03-28 DOI: 10.1122/8.0000822
Kostas D. Housiadas, A. Beris
We study theoretically the elongational viscosity (or Trouton ratio, in dimensionless form) for steady viscoelastic flows in confined and symmetric hyperbolic tubes considering Navier-type slip along the wall(s). Both the planar and the cylindrical axisymmetric geometrical configurations are addressed. Under the classic lubrication approximation, and for a variety of constitutive models such as Phan-Thien and Tanner, Giesekus, and Finite Extensibility Nonlinear Elastic with the Peterlin approximation models, the same general analytical formula for the Trouton ratio is derived as for the Oldroyd-B model, in terms of the velocity at the midplane/axis of symmetry and the Deborah number only. Assuming that the velocity field is approximated by the Newtonian lubrication profile, based on our previous study in the absence of slip, we show that a constant extensional strain rate can be achieved in the limits of zero or infinite slip. For finite slip, a slight modification of the geometry is required to achieve a constant strain rate. In these cases, the formula for the steady state Trouton ratio reduces to that for transient homogeneous elongation. We also provide analytical formulae for the modification (decrease) for both the extensional strain rate and the Hencky strain achieved in the confined geometries because of introducing wall slip.
我们从理论上研究了考虑到纳维型沿壁滑移的约束对称双曲管中稳定粘弹性流动的伸长粘度(或无量纲形式的 Trouton 比率)。平面和圆柱轴对称几何构型均有涉及。在经典润滑近似条件下,对于各种构成模型,如 Phan-Thien 和 Tanner、Giesekus 以及带有 Peterlin 近似模型的有限延伸性非线性弹性模型,仅根据中面/对称轴处的速度和 Deborah 数,就可以推导出与 Oldroyd-B 模型相同的 Trouton 比率一般分析公式。假设速度场近似于牛顿润滑曲线,根据我们之前在无滑移情况下的研究,我们表明在零或无限滑移的限制下可以实现恒定的伸展应变率。在有限滑移的情况下,需要对几何形状稍作修改才能实现恒定应变率。在这些情况下,稳态 Trouton 比率公式可还原为瞬态均匀伸长公式。我们还提供了因引入壁面滑移而使受限几何形状中的伸长应变率和亨斯基应变均发生改变(减小)的解析公式。
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引用次数: 0
Strain shift measured from stress-controlled oscillatory shear: Evidence for a continuous yielding transition and new techniques to determine recovery rheology measures 通过应力控制振荡剪切测量应变偏移:连续屈服转变的证据和确定恢复流变测量值的新技术
Pub Date : 2024-03-27 DOI: 10.1122/8.0000756
James J. Griebler, G. Donley, Victoria Wisniewski, Simon A. Rogers
Understanding the yielding of complex fluids is an important rheological challenge that affects our ability to engineer and process materials for a wide variety of applications. Common theoretical understandings of yield stress fluids follow the Oldroyd–Prager formalism in which the material behavior below the yield stress is treated as solidlike, and above the yield stress as liquidlike, with an instantaneous transition between the two states. This formalism was built on a quasi-static approach to the yield stress, while most applications, ranging from material processing to end user applications, involve a transient approach to yielding over a finite timescale. Using stress-controlled oscillatory shear experiments, we show that yield stress fluids flow below their yield stresses. This is quantified through measuring the strain shift, which is the value about which the strain oscillates during a stress-controlled test and is a function of only the unrecoverable strain. Measurements of the strain shift are, therefore, measurements of flow having taken place. These experimental results are compared to the Herschel–Bulkley form of the Saramito model, which utilizes the Oldroyd–Prager formalism, and the recently published Kamani–Donley–Rogers (KDR) model, in which one constitutive equation represents the entire range of material responses. Scaling relationships are derived, which allow us to show why yield stress fluids will flow across all stresses, above and below their yield stress. Finally, derivations are presented that show strain shift can be used to determine average metrics previously attainable only through recovery rheology, and these are experimentally verified.
了解复杂流体的屈服是一项重要的流变学挑战,它影响着我们为各种应用设计和加工材料的能力。对屈服应力流体的常见理论理解遵循奥尔德罗伊德-普拉格(Oldroyd-Prager)形式主义,其中,屈服应力以下的材料行为被视为固态,屈服应力以上的材料行为被视为液态,两种状态之间存在瞬时转换。这种形式主义建立在屈服应力的准静态方法基础上,而从材料加工到最终用户应用的大多数应用都涉及有限时间尺度上的瞬态屈服方法。通过应力控制振荡剪切实验,我们发现屈服应力流体会在屈服应力以下流动。应变位移是应变在应力控制试验过程中的振荡值,是不可恢复应变的函数。因此,对应变偏移的测量就是对发生流动的测量。我们将这些实验结果与萨拉米托模型的赫歇尔-布尔克利形式(利用奥尔德罗伊德-普拉格形式主义)和最近发表的卡马尼-唐利-罗杰斯(KDR)模型进行了比较,其中一个构成方程代表了整个材料响应范围。通过推导比例关系,我们可以说明为什么屈服应力流体会在高于或低于其屈服应力的所有应力下流动。最后,推导结果表明应变偏移可用于确定以前只能通过恢复流变学获得的平均指标,这些指标已通过实验验证。
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引用次数: 1
A cluster approach to rationalize shear thinning: Application to polymer solutions and suspension fluids 使剪切稀化合理化的集群方法:聚合物溶液和悬浮液的应用
Pub Date : 2024-03-27 DOI: 10.1122/8.0000785
Bernhard A. Wolf
This paper calculates for liquid mixtures of high and low molecular weight components, how many solute molecules flow on the average conjointly. The application of the approach to solutions of poly(dimethyl siloxane) in its pentamer, to suspensions of gibbsite (Al(OH)3) in dimethyl sulfoxide, and to human blood testifies that the approach is applicable without restrictions regarding the chemical nature of the high molecular weight compound. The shear thinning of the systems under investigation can be understood in terms of a reduction of the shear-overlap parameter Σ, where the generalized intrinsic viscosity {η} constitutes the central property governing the composition and shear rate dependence of the viscosities. Furthermore, the present analysis demonstrates that intrinsic viscosities can be determined for all solutes and that they decrease with rising shear rates according to a Boltzmann sigmoid for the systems DMS5/PDMS and blood. The comparison of the hydrodynamic specific volumes of the solutes (i.e., of [η]) with the corresponding specific volumes in the pure state leads to the conclusion that solutes that cannot interpenetrate carry a considerable amount of solvent piggyback with them when flowing. In addition to the pure description of the observations, the approach was able to point to new phenomena, e.g., the solidification of the gibbsite suspensions beyond a characteristic solute concentration, which shifts to higher values with increasing shear rates. Because of its general nature, the present approach should become helpful, above all in the areas of technology (reactions in flowing systems) and health (rheology of blood).
本文计算了由高分子量和低分子量成分组成的液体混合物中,平均有多少溶质分子同时流动。将该方法应用于聚二甲基硅氧烷的五聚体溶液、吉布斯特(Al(OH)3)在二甲亚砜中的悬浮液以及人体血液,证明该方法适用于高分子量化合物,不受其化学性质的限制。所研究体系的剪切变薄可以从剪切重叠参数Σ的降低来理解,其中广义固有粘度{η}是控制粘度的组成和剪切速率依赖性的核心特性。此外,本分析表明,所有溶质的固有粘度都可以确定,并且在 DMS5/PDMS 和血液系统中,固有粘度会随着剪切速率的升高而降低。将溶质的流体力学比容(即 [η])与纯净状态下的相应比容进行比较,可以得出结论:不能相互渗透的溶质在流动时会携带大量溶剂。除了对观察结果进行纯粹的描述之外,该方法还能指出新的现象,例如,吉布斯特悬浮液的凝固超出了一个特征溶质浓度,随着剪切速率的增加,该浓度会向更高的值移动。由于这种方法具有普遍性,因此对技术(流动系统中的反应)和健康(血液流变学)领域会有所帮助。
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引用次数: 0
Interparticle friction in sheared dense suspensions: Comparison of the viscous and frictional rheology descriptions 剪切致密悬浮液中的颗粒间摩擦:粘滞流变学和摩擦流变学描述的比较
Pub Date : 2024-02-20 DOI: 10.1122/8.0000729
Wouter Peerbooms, Tim Nadorp, Antoine van der Heijden, W. Breugem
In the literature, two different frameworks exist for describing the rheology of solid/liquid suspensions: (1) the “viscous” framework in terms of the relative suspension viscosity, ηr, as a function of the reduced solid volume fraction, ϕ/ϕm, with ϕm the maximum flowable packing fraction, and (2) the “frictional” framework in terms of a macroscopic friction coefficient, μ, as a function of the viscous number, Iv, defined as the ratio of the viscous shear to the wall-normal particle stress. Our goal is to compare the two different frameworks, focusing on the effect of friction between particles. We have conducted a particle-resolved direct numerical simulation study of a dense non-Brownian suspension of neutrally buoyant spheres in slow plane Couette flow. We varied the bulk solid volume fraction from ϕb=0.1 to 0.6 and considered three different Coulomb friction coefficients: μc=0, 0.2, and 0.39. We find that ηr scales well with ϕ/ϕm, with ϕm obtained from fitting the Maron–Pierce correlation. We also find that μ scales well with Iv. Furthermore, we find a monotonic relation between ϕ/ϕm and Iv, which depends only weakly on μc. Since ηr=μ/Iv, we thus find that the two frameworks are largely equivalent and that both account implicitly for Coulomb friction. However, we find that the normal particle stress differences, N1 and N2, when normalized with the total shear stress and plotted against either ϕ/ϕm or Iv, remain explicitly dependent on μc in a manner that is not yet fully understood.
在文献中,有两种不同的框架用于描述固/液悬浮液的流变性:(1) "粘性 "框架,以相对悬浮粘度 ηr 作为还原固体体积分数 ϕ/ϕm 的函数,其中 ϕm 为最大可流动堆积分数;(2) "摩擦 "框架,以宏观摩擦系数 μ 作为粘性数 Iv 的函数,粘性数 Iv 定义为粘性剪切力与颗粒壁面法向应力之比。我们的目标是比较这两种不同的框架,重点关注颗粒间摩擦的影响。我们对中性浮力球体在慢平面库特流中的致密非布朗悬浮液进行了粒子分辨直接数值模拟研究。我们将固体体积分数从 ϕb=0.1 变为 0.6,并考虑了三种不同的库仑摩擦系数:μc=0、0.2 和 0.39。我们发现 ηr 与 ϕ/ϕm 的比例关系很好,其中 ϕm 是通过拟合马龙-皮尔斯相关性得到的。我们还发现,μ 与 Iv 的关系也很好。此外,我们还发现 ϕ/ϕm 与 Iv 之间存在单调关系,而 Iv 只微弱地依赖于 μc。由于ηr=μ/Iv,我们发现这两个框架在很大程度上是等价的,而且都隐含地考虑了库仑摩擦。然而,我们发现,当将法向颗粒应力差 N1 和 N2 与总剪切应力进行归一化并绘制成 ϕ/ϕm 或 Iv 图时,它们仍然以一种尚未完全理解的方式明确依赖于 μc。
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引用次数: 0
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Journal of Rheology
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