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Multi-scale modeling and simulation have become major tools in the design and optimization of novel materials and their processing. Since the establishment of the Computational Materials Science Branc...
Multi-scale modeling and simulation have become major tools in the design and optimization of novel materials and their processing. Since the establishment of the Computational Materials Science Branc...
We investigated four different problems using coarse grained computational models : self-assembly of single stranded (ss) DNA virus, ejection dynamics of double stranded(ds) DNA from phages, transloca...
Magneto-induced microscopic particulate structures of magnetorheological plastomers (MRP) are investigated using particle-level dynamics simulation, as this is a basis for studying the macroscopic phy...
This paper describes a two-dimensional (2D) finite element simulation for fracture and fatigue behaviours of pure alumina microstructures such as those found at hip prostheses. Finite element models a...
The trembling shear behavior of electrorheological (ER) fluids has been investigated by using a computer simulation method, and a shear-slide boundary model is proposed to understand this phenomenon. ...
In this article are introduced the problems of computer simulation of carburizers particles heating (anthracite, graphite and petroleum coke), which are present in liquid metal. The diameter of parti...
Mechanical properties, i.e., hardness, yield strength, toughness and fatigue properties are in relation with each other [1]. Hardness distribution in quenched steel specimen could be predicted by comp...
Mechanical behaviour of elastomers depends strongly on crosslink density. The cross linking of rubbers and thermoplastic polymers is a well-proven process of the improvement of the thermal properties ...
Purpose: In this paper, the prediction of working stress of quenched and tempered steel has been done. The working stress was characterized by yield strength and fracture toughness. The method of comp...
The metallic materials are heterogeneous on the mesoscale. Their microstructure consists of grains with different chemical composition, lattice structure and orientation. The mechanical properties of ...
Purpose: The objective of the work was to construct the finite elements model for simulation of acoustic wave propagation process in polymer material in the aspect of diagnostic of fatigue changes. D...
The effect of alloying elements in aluminum on diffusion behavior was investigated using non-equilibrium molecular dynamics (NEMD) under the effect of electromigration wind force. The electromigration...
During thermal processing, parts are usually subjected to continuous heating and cooling cycles during which microstructural and mechanical evolutions occur simultaneously at different length and time...
In the paper issue of dissolution of carburizing materials (anthracite, petroleum coke and graphite) particle in liquid metal and its computer simulation are presented. Relative movement rate of part...

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