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Large scale computations of effective elastic properties of rubber with carbon black fillers Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-07-01 Aurelie Jean
A general method, based on a multi-scale approach, is proposed to derive the effective elastic shear modulus of a rubber with 14\% of carbon black fillers from finite element (FE) and fast Fourier transform (FFT) methods. The complex multi-scale microstructure of such material was generated numerically from a mathematical model of its morphology which was identified from statistical moments out of
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ON THE PRIMAL AND MIXED DUAL FORMATS IN VARIATIONALLY CONSISTENT COMPUTATIONAL HOMOGENIZATION WITH EMPHASIS ON FLUX BOUNDARY CONDITIONS Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Kristoffer Carlsson; Fredrik Larsson; Kenneth Runesson
In this paper, we view homogenization within the framework of variational multiscale methods. The standard (primal) variational format lends itself naturally to the choice of Dirichlet boundary conditions on the Representative Volume Element (RVE). However, how to impose flux boundary conditions, treated as Neumann conditions in the standard variational format, is less obvious. Therefore, in this paper
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CONJUGATE MASS TRANSFER FOR THE REMOVAL OF HYDROGEN SULFIDE GAS CIRCULATING IN A SLIT MICROCHANNEL ON A HOMOGENEOUS BIOFILM UNDER THE INFLUENCE OF THE DAMKÖHLER NUMBER Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 W. Bonilla-Blancas; A. Mora-Ortega; Federico Mendez
In the present work, we have developed a numerical analysis to understand the influence that the Damköhler number has on the consumption of hydrogen sulfide (H2S) that develops on the surface of a biofilm for a mixture composed of methane gas and hydrogen sulfide that circulates laminarly through a thin microchannel. For this multiscale problem, because we are treating two physical regions, the dimensionless
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ENERGY-BASED MATCHING BOUNDARY CONDITIONS FOR NON-ORDINARY PERIDYNAMICS IN ONE SPACE DIMENSION Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Shaoqiang Tang; Siqi Zhu; Dong Qian
Energy-based Matching Boundary Conditions (MBCs) are developed for both standard and stabilized non-ordinary peridynamics (NOPD) model in one space dimension. For a semi-infinite segment of the linear chain, we construct non-negative energy functions, and propose MBCs that guarantee the energy decay. Stability then holds except for the zero-energy mode. The coefficients in the MBCs are determined by
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EFFECTIVE DEFORMATION OF PERIDYNAMIC RANDOM STRUCTURE BAR SUBJECTED TO INHOMOGENEOUS BODY-FORCE Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Valeriy A. Buryachenko
A statistically homogeneous random bar with the bond-based peridynamic properties of constituents is considered for a static case. For both statistically homogeneous composites and homogeneous remote loading, the effective properties of both the peridynamic composites and locally elastic ones are described by constant tensor of the local effective moduli. However, even for locally elastic composites
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A TWO-SCALE APPROACH TO ANALYZE CONSTITUTIVE DEPENDENCIES OF RIGID OBSTACLES IN FLUID FLOW ACCOUNTING INERTIAL EFFECTS Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Andrés R. Valdez; Iury Igreja
In this work, we present a multiscale model to characterize the constitutive behavior of a macroscale fluid accounting for microscale convective, transient, and obstacle effects. Thus, at the macroscale, a generalized continuum flow is considered, and the unsteady incompressible Navier-Stokes equation models the fine scale. From the concept of Representative Volume Element (RVE), we establish a connection
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RANDOM WALK-BASED STOCHASTIC MODELING OF DIFFUSION IN SPHERICAL AND ELLIPSOIDAL COMPOSITES Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Jian Qiu; Jide Williams; Yun-Bo Yi
Diffusion in randomly dispersed, spherical, and ellipsoidal composite systems is studied using the random walk simulations. The outcome of the computational analysis is validated by finite element analyses. A Monte Carlo scheme is applied to generate the particulate system. The composite is assumed to have a lower diffusivity in the inclusions and a higher diffusivity in the matrix. The effective diffusion
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A COUPLED THERMO-CHEMO-MECHANICAL REDUCED-ORDER MULTISCALE MODEL FOR PREDICTING RESIDUAL STRESSES IN FIBRE REINFORCED SEMI-CRYSTALLINE POLYMER COMPOSITES Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Zifeng Yuan; Sebastian Felder; Stefanie Reese; Jaan-Willem Simon; Jacob Fish
We study residual stresses and strength induced by a manufacturing process of carbon fiber reinforced semi-crystalline polymer matrix composites and subsequent mechanical loading. Reduced-order homogenization (ROH) approach has been employed to address tremendous computational complexity stemming from analyzing complex thermo-chemo-mechanical processes at multiple scales. The proposed reduced-order
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A TWO-SCALE APPROACH FOR THE DROP SHOCK SIMULATION OF A PRINTED CIRCUIT BOARD PACKAGE CONSIDERING REFLOWED SOLDER BALL GEOMETRIES Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Wei Hu; Xiaofei Pan; Dandan Lyu; Ashutosh Srivastava; Siddharth Shah; Cheng-Tang Wu
In this paper, we introduce a new computational approach for linking the information of mesoscale solder ball shapes to the macroscale drop test of a printed circuit board. The approach starts with a numerical prediction of mesoscale solder bump profiles using a novel full-implicit Lagrangian particle method to approximate the Navier-Stokes equations and efficiently simulate the incompressible free
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PARTIAL HOMOGENIZATION OF THE DIFFUSION EQUATION WITH A DIRAC-LIKE POTENTIAL Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Latifa Ait Mahiout; Gregory P. Panasenko; Vitaly Volpert
The paper is devoted to the diffusion equation, with the Dirac-like periodic potential having different structure in two parts of the domain. The problem can be homogenized in one part of the domain while the standard homogenization does not work in the other. We introduce and test numerically the method of partial homogenization, combining in one multiscale model the homogenized and discrete description
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ATOMISTICALLY INFORMED TEMPERATURE AND RATE-DEPENDENT MECHANICAL RESPONSE OF FUSED SILICA Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Yang Yu; Yang Jiao; Jacob Fish
This manuscript studies the mechanical response of amorphous silica based on data mining from molecular dynamics simulations. The temperature- and densification-dependent yield criteria have been established. The proposed modified Drucker-Prager-cap yield criterion adequately captures the temperature effect on the initial yield surface. The main focus of this study has been on understanding the critical
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A COUPLING OF MULTISCALE FINITE ELEMENT METHOD AND ISOGEOMETRIC ANALYSIS Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Mateusz Dryzek; Witold Cecot
In this paper, we propose to use modified B-splines spanned on several macroelements as a basis for building the multiscale finite element method (MsFEM) trail functions. The main benefit of our approach is that the calculations of a multiscale function are done in one step on the whole support, in contrast to standard MsFEM shape functions that are evaluated coarse element by element and require a
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COMPUTATIONAL ANALYSES OF FLEXURAL BEHAVIOR FOR ULTRAHIGH PERFORMANCE FIBER REINFORCED CONCRETE BRIDGE DECKS Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Yan Wang; Timothy Artz; Andrew Beel; Xudong Shao; Jacob Fish
The manuscript describes a multiscale paradigm for predicting post-cracking flexural behavior in ultrahigh performance fiber reinforced concrete (UHPFRC) structures. A comparative study was conducted to simulate the flexural behavior of reinforced UHPFRC beams used in the Malukou Bridge, China. In this study, UHPFRC was modeled as a heterogeneous composite medium made of a matrix and steel fibers using
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HOW USEFUL ARE FORMAL HIERARCHIES? A CASE STUDY ON AVERAGING DISLOCATION DYNAMICS TO DEFINE MESO-MACRO PLASTICITY Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Sabyasachi Chatterjee; Amit Acharya
A formal hierarchy of exact evolution equations is derived for physically relevant space-time averages of state functions of microscopic dislocation dynamics. While such hierarchies are undoubtedly of some value, a primary goal here is to expose the intractable complexity of such systems of nonlinear partial differential equations that, furthermore, remain "non-closed," and therefore subject to phenomenological
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MULTI-LEVEL K-d TREE-BASED DATA-DRIVEN COMPUTATIONAL METHOD FOR THE DYNAMIC ANALYSIS OF MULTI-MATERIAL STRUCTURES Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Zhangcheng Zheng; Hongfei Ye; Hongwu Zhang; Yonggang Zheng; Zhen Chen
The model-free distance-minimizing data-driven computational method has recently become a novel paradigm for solving various mechanics problems. However, the paradigm may suffer from low efficiency since tremendous iterative searches of key data points in the material dataset are needed during the solution process. A fast data-driven solver is therefore proposed here for the accurate and efficient
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DERIVATION OF COMPATIBILITY CONDITIONS AND NONCONSTANT MATERIAL FUNCTION FOR ONE-DIMENSIONAL CONSTITUTIVE RELATIONS OF SHAPE MEMORY ALLOYS Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Chetan S. Jarali; Ravishankar N. Chikkangoudar; Subhas F. Patil; S. Raja; Y. Charles Lu; Jacob Fish
The present work investigates the thermodynamic inconsistencies in the definition of the compatibility conditions on stress for constant and nonconstant material functions in one-dimensional modeling of shape memory alloys based on the first principles. In this work, simplifications are provided validating inconsistencies in the earlier proposed non-constant material functions used to satisfy compatibility
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A HIERARCHICAL MULTISCALE MODEL FOR PREDICTING THE VASCULAR BEHAVIOR OF BLOOD-BORNE NANOMEDICINES Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 F. Laurino; A. Coclite; A. Tiozzo; P. Decuzzi; Paolo Zunino
In the field of nanomedicine, there is a pressing need for predictive, quantitative tools to rationally design and optimize carriers for therapeutic and imaging applications. Current nano/microfabrication technologies allow us to control a large number of parameters, including the size, shape surface properties, and mechanical stiffness. These design parameters affect the biophysical behavior of nanomedicines
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REITERATED HOMOGENIZATION APPLIED TO NANOFLUIDS WITH AN INTERFACIAL THERMAL RESISTANCE Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Ernesto Iglesias-Rodríguez; Julián Bravo-Castillero; Manuel Ernani C. Cruz; Leslie D. Pérez-Fernández; Federico J. Sabina
Heterogeneous media with several spatial scales are often found in heat transfer applications. For instance, two-phase nanofluids made of nanoparticles immersed in a fluid containing both individual particles and clusters, which exhibit at least three structural scales, have shown improved thermal conductivity over the individual constituents. In this work, a problem for the Fourier heat equation with
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FULL-FIELD ELASTIC SIMULATIONS FOR IMAGE-BASED HETEROGENEOUS STRUCTURES WITH A COARSE MESH CONDENSATION MULTISCALE METHOD Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Minh Vuong Le; Julien Yvonnet; Nicolas Feld; Fabrice Detrez
Microtomography images allow obtaining fully detailed microstructural descriptions of heterogeneous materials and structures. To evaluate the effects of local gradients induced by the boundary conditions, it might be of interest to perform direct numerical simulations (DNS) of such structures. In this paper, a multiscale method is developed to perform DNS on large, nonperiodic linear heterogeneous
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ANERGY TO SYNERGY-THE ENERGY FUELING THE RXCOVEA FRAMEWORK. Int. J. Multiscale Comput. Eng. (IF 1.016) Pub Date : 2020-01-01 Evelyne Bischof,Jantine A C Broek,Charles R Cantor,Ashley J Duits,Alfredo Ferro,Hillary W Gao,Zilong Li,Stella Luna de Maria,Naomi I Maria,Bud Mishra,Kimberly I Mishra,Lex van der Ploeg,Larry Rudolph,Tamar Schlick,
We write to introduce our novel group formed to confront some of the issues raised by the COVID-19 pandemic. Information about the group, which we named "cure COVid for Ever and for All" (RxCOVEA), its dynamic membership (changing regularly), and some of its activities−described in more technical detail for expert perusal and commentary−are available upon request.