Tong An^1,2,*, Rui Zhou^1,2, Fei Qin^1,2,*, Pei Chen^1,2, Yanwei Dai^1,2, Yanpeng Gong^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.135, No.2, pp. 1481-1502, 2023, DOI:10.32604/cmes.2023.022475

Abstract A micromechanical model is presented to study the initiation and propagation of microcracks of intermetallic compounds (IMCs) in solder joints. The effects of the grain aggregate morphology, the grain boundary defects and the sensitivity of the various cohesive zone parameters in predicting the overall mechanical response are investigated. The overall strength is predominantly determined by the weak grain interfaces; both the grain aggregate morphology and the weak grain interfaces control the crack configuration; the different normal and tangential strengths of grain interfaces result in different intergranular cracking behaviors and play a critical role in determining the macroscopic mechanical response of… More >

Qi Wu^*, Jianan Li, Lianchun Long, Linao Liu

CMES-Computer Modeling in Engineering & Sciences, Vol.129, No.1, pp. 99-116, 2021, DOI:10.32604/cmes.2021.015669

Abstract During heat treatment or mechanical processing, most polycrystalline materials experience grain growth, which significantly affects their mechanical properties. Microstructure simulation on a mesoscopic scale is an important way of studying grain growth. A key research focus of this type of method has long been how to efficiently and accurately simulate the grain growth caused by a non-uniform temperature field with temperature gradients. In this work, we propose an improved 3D Monte Carlo Potts (MCP) method to quantitatively study the relationship between non-uniform temperature fields and final grain morphologies. Properties of the aluminum alloy AA6061-T6 are used to establish a trial… More >

Ivano Benedetti^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.23, No.1, pp. 4-6, 2021, DOI:10.32604/icces.2021.08213

Abstract A recently developed novel three-dimensional (3D) computational framework for the analysis of polycrystalline materials at the grain scale is described in this lecture. The framework is based on the employment of: i) 3D Laguerre-Voronoi tessellations for the representation of the micro-morphology of polycrystalline materials; ii) boundary integral equations for the representation of the mechanics of the individual grains; iii) suitable cohesive traction-separation laws for the representation of the multi-physics behavior of the interfaces (either inter-granular or trans-granular) within the aggregate, which are the seat of damage initiation and evolution processes, up to complete decohesion and failure. The lecture will describe… More >

Peter L. Bishay¹, Satya N. Atluri¹

CMC-Computers, Materials & Continua, Vol.33, No.1, pp. 19-62, 2013, DOI:10.3970/cmc.2013.033.019

Abstract In this paper, 2D and 3D Multiphysics Voronoi Cells (MVCs) are developed, for the Direct Mesoscale Numerical Simulation (DMNS) of the switching phenomena in ferroelectric polycrystalline materials. These arbitrarily shaped MVCs (arbitrary polygons in 2D, and arbitrary polyhedrons in 3D with each face being an arbitrary polygon) are developed, based on assuming radial basis functions to represent the internal primal variables (mechanical displacements and electric potential), and assuming linear functions to represent the primal variables on the element boundaries. For the 3D case, the linear functions used to represent the primal variables on each of the polygonal surfaces of the… More >

A. F. Galvis¹, R. Q. Rodriguez¹, P. Sollero¹, E. L. Alburquerque²

CMES-Computer Modeling in Engineering & Sciences, Vol.96, No.2, pp. 103-115, 2013, DOI:10.3970/cmes.2013.096.103

Abstract Polycrystalline structures are present on metal alloys. Therefore, it is necessary to understand and model the mechanical behavior of this media. Usually, this is accomplished by the use of different numerical methods. However, the analysis of polycrystalline materials leads to other type of problems, such as high computational requirements generated in order to get an efficient solution. In this work, the 2D polycrystalline structure is generated using an average grain size through the Voronoi tessellation method and discretized through simulations with random material, crystalline orientation and orthotropic behavior [Sfantos and Aliabadi (2007a)]. BEM discretization requires multidomain analysis and large-scale degrees… More >

K. Nishimura¹, N. Miyazaki²

CMES-Computer Modeling in Engineering & Sciences, Vol.2, No.2, pp. 143-154, 2001, DOI:10.3970/cmes.2001.002.143

Abstract In this paper, we present a classical molecular dynamics algorithm and its implementation on Cray C90 and Fujitsu VPP700. The characters of this algorithm consist in a grid based on the block division of the atomic system and a neighbor list based on the use of a short range potential. The computer program is used for large scale simulations on a Cray C90 and a 32-node VPP700, and measurements of computational performance are reported. Then, we examine the interaction between a crack propagating and a tilt grain boundary under uniaxial tension using this computer program. The Johnson potential for α-Fe… More >

Hamad F. Al-Harbi¹, Marko Knezevic^1,2, Surya R. Kalidindi^1,3

CMC-Computers, Materials & Continua, Vol.15, No.2, pp. 153-172, 2010, DOI:10.3970/cmc.2010.015.153

Abstract In recent work, we have demonstrated the viability and computational advantages of DFT-based spectral databases for facilitating crystal plasticity solutions in face-centered cubic (fcc) metals subjected to arbitrary deformation paths. In this paper, we extend and validate the application of these novel ideas to body-centered cubic (bcc) metals that exhibit a much larger number of potential slip systems. It was observed that the databases for the bcc metals with a larger number of slip systems were more compact compared to those obtained previously for fcc metals with a smaller number of slip systems. Furthermore, we demonstrate in this paper that… More >

M.A.Arafin¹, J.A.Szpunar²

CMC-Computers, Materials & Continua, Vol.14, No.2, pp. 125-140, 2009, DOI:10.3970/cmc.2009.014.125

Abstract A novel microstructure, texture and grain boundary character based model has been proposed to simulate the intergranular crack propagation behavior in textured polycrystalline materials. The model utilizes the Voronoi algorithm and Monte Carlo simulations to construct the microstructure with desired grain shape factor, takes the texture description of the materials to assign the orientations of the grains, evaluates the grain boundary character based on the misorientation angle - axis calculated from the orientations of the neighboring grains, and takes into account the inclination of grain boundaries with respect to the external stress direction. Markov Chain theory has been applied to… More >