scholarly journals Predictive methods for computational metalloenzyme redesign – a test case with carboxypeptidase A

2016 ◽  
Vol 18 (46) ◽  
pp. 31744-31756 ◽  
Author(s):  
Crystal E. Valdez ◽  
Amanda Morgenstern ◽  
Mark E. Eberhart ◽  
Anastassia N. Alexandrova
Keyword(s):  
Test Case ◽  
Scale Problem ◽  
Carboxypeptidase A ◽  
Multi Scale ◽  
Predictive Methods ◽  
Metalloenzyme Design

Computational metalloenzyme design is a multi-scale problem.

scholarly journals ANALYSIS OF MULTI-SCALE PROBLEM ABOUT ANTENNA MOUNTED ON ELECTRICALLY LARGE PLATFORM BY USING CONNECTED EPA-PO

2012 ◽  
Vol 126 ◽  
pp. 169-183 ◽  
Author(s):  
Kaizhi Zhang ◽  
Jun Ou Yang ◽  
Feng Yang ◽  
Jian Zhang ◽  
Yan Li
Keyword(s):  
Scale Problem ◽  
Multi Scale ◽  
Large Platform

Dust Formation in Substellar Atmospheres: A Multi-Scale Problem

2006 ◽  
pp. 503-509
Author(s):  
Christiane Helling ◽  
Peter Woitke ◽  
Rupert Klein ◽  
Erwin Sedlmayr
Keyword(s):  
Dust Formation ◽  
Scale Problem ◽  
Multi Scale

scholarly journals Homogenization of trabecular structures

2020 ◽  
Vol 310 ◽  
pp. 00041
Author(s):  
Tomáš Krejčí ◽  
Aleš Jíra ◽  
Luboš Řehounek ◽  
Michal Šejnoha ◽  
Jaroslav Kruis ◽  
...  
Keyword(s):  
Finite Element ◽  
Effective Properties ◽  
Macro Level ◽  
Truss Structures ◽  
Scale Analysis ◽  
Scale Problem ◽  
Meso Level ◽  
Multi Scale ◽  
Macro Scale ◽  
Multi Scale Analysis

Numerical modeling of implants and specimens made from trabecular structures can be difficult and time-consuming. Trabecular structures are characterized as spatial truss structures composed of beams. A detailed discretization using the finite element method usually leads to a large number of degrees of freedom. It is attributed to the effort of creating a very fine mesh to capture the geometry of beams of the structure as accurately as possible. This contribution presents a numerical homogenization as one of the possible methods of trabecular structures modeling. The proposed approach is based on a multi-scale analysis, where the whole specimen is assumed to be homogeneous at a macro-level with assigned effective properties derived from an independent homogenization problem at a meso-level. Therein, the trabecular structure is seen as a porous or two-component medium with the metal structure and voids filled with the air or bone tissue at the meso-level. This corresponds to a two-level finite element homogenization scheme. The specimen is discretized by a reasonable coarse mesh at the macro-level, called the macro-scale problem, while the actual microstructure represented by a periodic unit cell is discretized with sufficient accuracy, called the meso-scale problem. Such a procedure was already applied to modeling of composite materials or masonry structures. The application of this multi-scale analysis is illustrated by a numerical simulation of laboratory compression tests of trabecular specimens.

scholarly journals The Framework for Rapid Graphics Application Development: The Multi-scale Problem Visualization

2015 ◽  
Vol 51 ◽  
pp. 2729-2733 ◽  
Author(s):  
Alexey Bezgodov ◽  
Andrey Karsakov ◽  
Aleksandr Zagarskikh ◽  
Vladislav Karbovskii
Keyword(s):  
Scale Problem ◽  
Application Development ◽  
Multi Scale

Stochastic Homogenized Properties for Honeycomb Microstructure Based on First Order Perturbation

2014 ◽  
Vol 695 ◽  
pp. 516-520
Author(s):  
Khairul Salleh Basaruddin
Keyword(s):  
Homogenization Method ◽  
Order Perturbation ◽  
Perturbation Approach ◽  
Scale Problem ◽  
Microstructure Design ◽  
First Order ◽  
Multi Scale ◽  
Macroscopic Property ◽  
Gaussian Normal Distribution ◽  
First Order Perturbation

A stochastic analysis of multi-scale problem in honeycomb microstructure was introduced in this paper to determine the variation of macroscopic homogenized properties considering uncertainty of micro-property. By assuming the fluctuation of micro-property, specifically the Young's modulus, is in Gaussian normal distribution, the macroscopic (homogenized) properties was formulated in stochastic manner based on first order perturbation approach. Next, the macroscopic property of honeycomb microstructure considering the geometrical defect that might be occurred in manufacturing process was also predicted. The numerical results showed that even with minor geometrical defect could affect the macroscopic properties. It proved the essential of stochastic homogenization method in predicting the reliable macroscopic property for microstructure design.

scholarly journals Multi-scale problem in the model of RNA virus evolution

2016 ◽  
Vol 727 ◽  
pp. 012007 ◽  
Author(s):  
Andrei Korobeinikov ◽  
Aleksei Archibasov ◽  
Vladimir Sobolev
Keyword(s):  
Rna Virus ◽  
Virus Evolution ◽  
Scale Problem ◽  
Multi Scale

scholarly journals The emptying of a bottle as a test case for assessing interfacial momentum exchange models for Euler–Euler simulations of multi-scale gas-liquid flows

2018 ◽  
Vol 106 ◽  
pp. 109-124 ◽  
Author(s):  
Samuel Mer ◽  
Olivier Praud ◽  
Herve Neau ◽  
Nicolas Merigoux ◽  
Jacques Magnaudet ◽  
...  
Keyword(s):  
Test Case ◽  
Momentum Exchange ◽  
Multi Scale ◽  
Liquid Flows
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