Begell House Inc.
International Journal for Multiscale Computational Engineering
JMC
1543-1649
18
3
2020
FULL-FIELD ELASTIC SIMULATIONS FOR IMAGE-BASED HETEROGENEOUS STRUCTURES WITH A COARSE MESH CONDENSATION MULTISCALE METHOD
305-327
10.1615/IntJMultCompEng.2020034828
Minh Vuong
Le
Univ Gustave Eiffel, CNRS, MSME UMR 8208, F-77454 Marne-la-Vallée, France; Safran Tech, Etablissement Paris Saclay, rue des Jeunes Bois-Châteaufort, 78114 Magny-les-Hameaux, France
Julien
Yvonnet
Univ Gustave Eiffel, CNRS, MSME UMR 8208, F-77454 Marne-la-Vallée, France
Nicolas
Feld
Safran Tech, Etablissement Paris Saclay, rue des Jeunes Bois-Châteaufort, 78114
Magny-les-Hameaux, France
Fabrice
Detrez
Univ Gustave Eiffel, CNRS, MSME UMR 8208, F-77454 Marne-la-Vallée, France
domain decomposition
composites
multiscale methods
CMCM
heterogeneous structures
tomography images
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 structures with arbitrary boundary conditions; it can be performed in a classical finite element context. The method uses off-line calculations on subdomains that do not have to be periodic. Then, direct segmented images of the full 3D structure can be used directly without simplification. The novelty here is the use of nonperiodic subdomains to decompose nonperiodic heterogeneous structures and the possibility to use a coarse mesh which does not conform to the boundaries of the subdomains. As a result, the full-field finite element problem can be solved on the basis of the coarse mesh only, drastically reducing the computational costs. The accuracy of the method is analyzed on benchmarks and applications on large heterogeneous structures such as those arising from 3D microtomography images are presented.
ANERGY TO SYNERGY-THE ENERGY FUELING THE RXCOVEA FRAMEWORK
329-333
10.1615/IntJMultCompEng.2020035097
Evelyne
Bischof
Insilico Medicine, 307A, E1, Hong Kong Science and Technology Park, Hong Kong, People's
Republic of China; Department of Advanced Biomedical Sciences, Federico II University of Naples, Via Pansini, 5,
80131, Naples, Italy
Jantine A.C.
Broek
Department of Electrical Engineering and Computer Science, ULiége, Liége, Belgium
Charles R.
Cantor
Department of Biomedical Engineering, Boston University, Boston, Massachusetts, USA; Retrotope, Inc., Los Altos, California, USA
Ashley J.
Duits
Red Cross Blood Bank Foundation Curaçao, Willemstad, Curaçao
Alfredo
Ferro
Department of Clinical and Experimental Medicine, Catania University, Italy
Hillary W.
Gao
Department of Physics, New York University, New York, New York, USA
Zilong
Li
Department of Chemistry and Courant Institute of Mathematical Sciences, New York
University, New York, New York, USA
Stella Luna
de Maria
Pentaquark Consulting, Madrid, Spain
Naomi I.
Maria
Red Cross Blood Bank Foundation Curaçao, Willemstad, Curaçao; Institute of Molecular Medicine, The Feinstein Institutes for Medical Research, Northwell Health, Manhasset, New York, USA
Bud
Mishra
Department of Computer Science, Mathematics, Engineering and Cell Biology, Courant Inst,
Tandon and School of Medicine, New York University, New York, New York, USA
Kimberly I.
Mishra
Department of Physics, New York University, New York, New York, USA
Lex
van der Ploeg
Department of Computer Science, Mathematics, Engineering and Cell Biology, Courant Inst,
Tandon and School of Medicine, New York University, New York, New York, USA; Yao−The Bard LLC, Plymouth, Massachusetts, USA
Larry
Rudolph
Department of Computer Science, MIT, Boston, Massachusetts, USA
Tamar
Schlick
Department of Chemistry, New York University, New York, New York 10003, USA; Courant Institute of Mathematical Sciences, New York University, New York, New York, 10012, USA; NYU-ECNU Center for Computational Chemistry, NYU Shanghai, China
RxCOVEA Framework
COVID-19 research
bioinformatics
systems biology
immunology
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.
A HIERARCHICAL MULTISCALE MODEL FOR PREDICTING THE VASCULAR BEHAVIOR OF BLOOD-BORNE NANOMEDICINES
335-359
10.1615/IntJMultCompEng.2020033358
F.
Laurino
MOX, Department of Mathematics, Politecnico di Milano, Milano, Italy; Laboratory of Nanotechnology for Precision Medicine, Italian Institute of Technology, Genova,
Italy
A.
Coclite
Scuola di Ingegneria, Università degli Studi della Basilicata, Potenza, Italy
A.
Tiozzo
MOX, Department of Mathematics, Politecnico di Milano, Milano, Italy
P.
Decuzzi
Laboratory of Nanotechnology for Precision Medicine, Italian Institute of Technology, Genova,
Italy
Paolo
Zunino
MOX, Department of Mathematics, Politecnico di Milano, Milano, Italy
nanomedicine
microvascular flow
particle adhesion
lattice Boltzmann method
finite element simulation
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 in terms of blood longevity, tissue deposition, drug release, contrast imaging amplification, and more. Thus, sophisticated, multiscale and multiphysics computational models are needed to predict the behavior of nanomedicines and guide the fabrication process toward optimal delivery systems. This work is a first step toward the realization of a fully integrated simulation platform. Here a computational model for describing blood flow in the microvasculature, particle transport, and molecular interaction with the vascular walls is presented. The model predicts particle deposition within a tumor microvasculature as a function of different design parameters. The simulations show that there is a complex interaction between the morphology of the vascular network, the particle surface and mechanical properties, and the particle deposition on the vascular walls. Specifically, the computational model shows and provides interpretation of how the stiffness affects significantly the probability of adhesion onto the vascular walls and the distribution along the network of blood-borne nanomedicines.
REITERATED HOMOGENIZATION APPLIED TO NANOFLUIDS WITH AN INTERFACIAL THERMAL RESISTANCE
361-384
10.1615/IntJMultCompEng.2020031351
Ernesto
Iglesias-Rodríguez
Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional
Autónoma de México, Alcaldía Álvaro Obregón, AP 20-126, 01000 CDMX, Mexico
Julián
Bravo-Castillero
Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional
Autónoma de México, Alcaldía Álvaro Obregón, AP 20-126, 01000 CDMX, Mexico
Manuel Ernani C.
Cruz
Departamento de Engenharia Mecânica, Politécnica/COPPE, Universidade Federal de Rio de
Janeiro, CP 68503 Cidade Universitária, Rio do Janeiro-RJ, 21941-972, Brazil
Leslie D.
Pérez-Fernández
Instituto de Física e Matemática, Universidade Federal do Pelotas, Caixa Postal 354, CEP
96010-900, Pelotas, Rio Grande do Sul, Brazil
Federico J.
Sabina
Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional
Autónoma de México, Alcaldía Álvaro Obregón, AP 20-126, 01000 CDMX, Mexico
reiterated homogenization
heat conduction
nanofluids
imperfect thermal contact
laminated composites
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 periodic and rapidly oscillating coefficients is studied via a reiterated homogenization method. The constituent phases are assumed to be in imperfect thermal contact, so there is a thermal barrier at the interfaces. The formal procedure to derive the homogenized problem, local problems, and effective coefficients is described for a general three-dimensional problem. The influence of volume fractions, phase conductivities, and interfacial thermal resistances on the effective behavior is exemplified for the case of laminated composites. An application of a simple model for the study of nanofluids is explained. Improvement of the effective conductivity and its dependence on the interfacial resistance is analyzed.
DERIVATION OF COMPATIBILITY CONDITIONS AND NONCONSTANT MATERIAL FUNCTION FOR ONE-DIMENSIONAL CONSTITUTIVE RELATIONS OF SHAPE MEMORY ALLOYS
385-407
10.1615/IntJMultCompEng.2020035077
Chetan S.
Jarali
Dynamics and Adaptive Structures Group, Structural Technological Division, CSIR National
Aerospace Laboratories, Old
Airport Road, Bengaluru-560017, Karnataka, India
Ravishankar N.
Chikkangoudar
PhD Research Centre, Visvesvaraya Technological University, Belagavi-590008, Karnataka,
India; Department of Mechanical Engineering, K.L.E. Dr. M.S. Sheshgiri College of Engineering and Technology, Belagavi-590008, Karnataka, India
Subhas F.
Patil
Department of Mechanical Engineering, K.L.E. Dr. M.S. Sheshgiri College of Engineering and
Technology, Belagavi-590008, Karnataka, India
S.
Raja
Dynamics and Adaptive Structures Group, Structural Technologies Division, CSIR National
Aerospace Laboratories, Old
Airport Road, Bengaluru-560017, Karnataka, India
Y. Charles
Lu
Department of Mechanical Engineering, University of Kentucky, Lexington, KY
Jacob
Fish
Department of Civil Engineering and Engineering Mechanics, Columbia University, New York, New York 10027, USA
shape memory alloys
one-dimensional constitutive model
material functions
compatibility conditions
differential and integrated constitutive relations
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 conditions. It is presented that the inconsistencies originate due to an incorrect definition of the compatibility conditions on stress. In the first step, it is shown that, due to inconsistent definitions of the compatibility conditions, the material functions cannot be derived from the first principles. Consequently, it is presented that the material functions result in an incorrect form of the differential constitutive equation. Furthermore, it is also analyzed that these incorrect definitions on the compatibility conditions result in an inconsistent form of nonconstant material functions as well as the differential equation, which are proposed in earlier models. As a result, in the present work the consistent definition of the compatibility conditions for one-dimensional shape memory alloy models is derived. Next, the new and correct definition for the compatibility conditions is proposed, which is used to derive a new and consistent form of nonconstant material function. Finally, a consistent form of non-constant material function and differential equation are derived from first principles, which satisfy the new definition of compatibility conditions on stress.